data_r4pdmsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2014-07-09 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4pdm 
_cell.length_a      68.0110 
_cell.length_b      68.0110 
_cell.length_c      89.3460 
_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   1.00 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.580 
_diffrn_reflns.pdbx_d_res_low    34.006 
_diffrn_reflns.limit_h_max       43 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       43 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       56 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            27782 
_diffrn_reflns.pdbx_number_obs   27782 
# 
_entry.id   4pdm 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4pdm 
_symmetry.space_group_name_H-M   "I 4" 
_symmetry.Int_Tables_number      79 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-Y,  X,  Z"              
3 "-X,  -Y,  Z"             
4 "Y,  -X,  Z"              
5 "X+1/2,  Y+1/2,  Z+1/2"   
6 "-Y+1/2,  X+1/2,  Z+1/2"  
7 "-X+1/2,  -Y+1/2,  Z+1/2" 
8 "Y+1/2,  -X+1/2,  Z+1/2"  
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_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  8  o 721.640 11.954 5209.18  172.524 ?       ?      721.640 11.954 ?              ?        
1 1 1 0  0  10 o 230.359 3.5199 530.566  11.457  222.903 5.0415 237.815 4.9133 -14.91171      7.039726 
1 1 1 0  0  14 o 378.363 4.9351 1432.10  26.397  379.587 6.8630 377.138 7.0938 2.449524       9.870268 
1 1 1 0  0  16 o 1264.03 20.261 16011.52 512.208 ?       ?      1264.03 20.261 ?              ?        
1 1 1 0  0  18 o 677.784 7.9590 4591.54  76.216  690.050 11.427 665.517 11.081 24.53308       15.91792 
1 1 1 0  0  22 o 306.672 4.1897 940.324  18.159  298.043 5.9771 315.301 5.8727 -17.25858      8.379381 
1 1 1 0  0  24 o 200.756 3.4868 403.057  9.8902  200.455 4.8098 201.058 5.0494 -0.6028137     6.973555 
1 1 1 0  0  28 o 55.294  3.6291 30.610   2.7572  55.470  4.3741 55.118  5.7921 0.3511734      7.258218 
1 1 1 0  0  30 o 215.331 3.3471 464.156  10.183  219.143 4.6036 211.520 4.8600 7.622177       6.694217 
1 1 1 0  0  32 o 203.973 3.5488 417.154  10.122  206.441 4.5466 201.507 5.4501 4.934174       7.097533 
1 1 1 0  0  34 o 323.982 4.7595 1050.88  21.799  323.604 6.6296 324.360 6.8307 -0.7560120     9.518967 
1 1 1 0  0  36 o 17.206  5.4530 -2.0128  2.5297  19.561  8.6418 14.852  6.6528 4.709175       10.90600 
1 1 1 0  0  38 o 124.233 3.1407 153.260  5.4564  118.466 4.1501 130.001 4.7151 -11.53515      6.281356 
1 1 1 0  0  40 o 201.841 3.6200 405.235  10.243  211.155 5.3825 192.527 4.8420 18.62819       7.239900 
1 1 1 0  0  42 o 95.978  3.3958 92.243   4.5653  96.493  5.1614 95.464  4.4144 1.028732       6.791642 
1 1 1 0  0  44 o 61.984  3.9706 38.525   3.4725  61.273  5.4187 62.695  5.8051 -1.421413      7.941113 
1 1 1 0  0  46 o 25.989  6.6167 5.1370   3.2383  23.643  10.005 28.335  8.6622 -4.692556      13.23349 
1 1 1 0  0  48 o 40.883  6.0103 17.581   3.4133  36.795  9.4862 44.972  7.3829 -8.176979      12.02061 
1 1 1 0  0  50 o 65.324  4.8319 43.880   3.9692  66.291  4.7196 64.358  8.4330 1.933655       9.663873 
1 1 1 0  0  52 o 87.258  3.8075 76.612   4.4643  90.470  6.2107 84.047  4.4063 6.423546       7.615001 
1 1 1 0  0  54 o 33.032  9.1588 12.132   6.2573  33.032  9.1588 ?       ?      ?              ?        
1 1 1 0  0  56 o 23.912  9.2223 4.9803   6.2573  23.912  9.2223 ?       ?      ?              ?        
1 1 1 0  1  3  o 437.539 4.4750 1935.76  26.936  419.110 7.1756 455.968 5.3492 -36.85861      8.950054 
1 1 1 0  1  5  o 470.540 2.8786 2214.53  19.155  470.452 4.0852 470.629 4.0565 -0.1770325     5.757133 
1 1 1 0  1  7  o 742.655 8.4407 5520.33  88.611  734.182 11.802 751.128 12.071 -16.94543      16.88144 
1 1 1 0  1  9  o 723.517 4.9923 5235.11  51.048  717.911 6.9373 729.122 7.1809 -11.21118      9.984517 
1 1 1 0  1  11 o 367.057 2.5029 1346.97  12.987  371.518 3.5748 362.596 3.5042 8.921570       5.005862 
1 1 1 0  1  13 o 577.049 3.5600 3331.37  29.052  578.083 5.0366 576.015 5.0325 2.068054       7.119958 
1 1 1 0  1  15 o 595.085 3.6418 3543.65  30.647  594.916 5.1839 595.253 5.1166 -0.3376465     7.283691 
1 1 1 0  1  17 o 694.390 4.1873 4823.77  41.117  689.638 5.9162 699.141 5.9271 -9.502625      8.374502 
1 1 1 0  1  19 o 1007.07 5.7476 10149.47 81.853  1007.03 8.0778 1007.11 8.1786 -0.8563232E-01 11.49520 
1 1 1 0  1  21 o 969.842 5.5865 9413.36  76.618  969.998 7.8530 969.686 7.9477 0.3117065      11.17294 
1 1 1 0  1  23 o 62.623  1.4064 39.198   1.2443  64.815  1.9702 60.431  2.0075 4.384014       2.812793 
1 1 1 0  1  25 o 337.423 2.2210 1138.27  10.593  343.637 3.1587 331.209 3.1230 12.42737       4.441953 
1 1 1 0  1  27 o 55.582  1.9118 30.887   1.4944  55.354  2.5377 55.811  2.8601 -0.4574013     3.823639 
1 1 1 0  1  29 o 241.066 1.7886 581.251  6.0962  239.650 2.5045 242.482 2.5542 -2.831345      3.577195 
1 1 1 0  1  31 f 343.726 2.5930 1182.97  12.435  344.077 3.3032 343.375 3.9979 0.7016602      5.185959 
1 1 1 0  1  33 o 131.031 1.4495 171.969  2.6802  133.396 1.9625 128.667 2.1339 4.729385       2.899081 
1 1 1 0  1  35 o 229.949 1.8759 529.114  6.0895  229.110 2.5639 230.788 2.7390 -1.678406      3.751757 
1 1 1 0  1  37 o 38.512  2.8156 14.875   1.5297  38.590  4.1364 38.434  3.8210 0.1560555      5.631137 
1 1 1 0  1  39 o 53.852  1.9291 29.052   1.4686  52.963  2.7728 54.742  2.6827 -1.778484      3.858157 
1 1 1 0  1  41 o 61.866  1.8609 38.350   1.6276  62.843  2.6417 60.888  2.6216 1.955196       3.721733 
1 1 1 0  1  43 o 201.326 1.7829 406.532  5.0759  201.465 2.5354 201.187 2.5072 0.2778473      3.565751 
1 1 1 0  1  45 o 111.864 1.5542 125.523  2.4578  114.285 2.1789 109.443 2.2170 4.842407       3.108476 
1 1 1 0  1  47 o 30.336  4.2425 9.8051   1.7507  31.095  6.1743 29.578  5.8201 1.516930       8.485006 
1 1 1 0  1  49 o 36.549  3.7783 13.940   1.9427  33.661  5.5010 39.438  5.1808 -5.777229      7.556562 
1 1 1 0  1  51 o 35.003  4.4555 13.368   1.9832  34.707  4.5992 35.299  7.6324 -0.5923042     8.911017 
1 1 1 0  1  53 o 54.129  3.0046 29.875   2.0684  51.004  3.1297 57.254  5.1300 -6.250565      6.009298 
1 1 1 0  1  55 o 40.478  5.1322 20.757   2.2545  44.893  3.6979 36.063  9.5752 8.830296       10.26443 
1 1 1 0  2  0  o 214.053 1.9691 458.319  8.4283  214.053 1.9691 ?       ?      0.000000       0.000000 
1 1 1 0  2  2  o 386.900 2.6898 1497.04  14.714  384.755 3.7671 389.044 3.8404 -4.288147      5.379584 
1 1 1 0  2  4  o 449.297 2.8919 2024.42  18.035  454.714 3.5947 443.880 4.5312 10.83426       5.783896 
1 1 1 0  2  6  o 775.489 13.001 6023.78  201.640 775.489 13.001 ?       ?      ?              ?        
1 1 1 0  2  8  o 684.177 4.9924 4699.84  46.730  692.716 5.9176 675.638 8.0423 17.07800       9.984794 
1 1 1 0  2  10 o 164.826 1.2874 271.684  3.0010  164.768 1.8213 164.884 1.8201 -0.1162109     2.574849 
1 1 1 0  2  12 o 477.316 3.0701 2277.94  20.693  473.963 4.2166 480.669 4.4633 -6.705475      6.140112 
1 1 1 0  2  14 o 192.684 1.4880 370.711  4.0422  196.013 2.1825 189.354 2.0232 6.658493       2.976014 
1 1 1 0  2  16 f 492.767 3.0704 2429.52  21.385  490.082 4.4297 495.452 4.2528 -5.369629      6.140733 
1 1 1 0  2  18 o 715.482 4.2562 5120.75  43.062  710.715 5.9923 720.249 6.0460 -9.533325      8.512430 
1 1 1 0  2  20 o 714.290 4.2607 5104.62  43.033  717.010 5.9575 711.571 6.0928 5.439392       8.521381 
1 1 1 0  2  22 o 213.086 1.6211 454.134  4.8844  212.007 2.3190 214.164 2.2658 -2.157684      3.242209 
1 1 1 0  2  24 o 198.429 1.5930 393.485  4.4613  196.403 2.1782 200.455 2.3253 -4.052353      3.186096 
1 1 1 0  2  26 o 275.394 1.8854 758.609  7.3422  275.359 2.6898 275.430 2.6428 -0.7073975E-01 3.770852 
1 1 1 0  2  28 o 246.625 1.7669 608.462  6.1601  246.223 2.5413 247.028 2.4555 -0.8049622     3.533823 
1 1 1 0  2  30 f 155.944 1.8200 240.952  3.6774  152.850 1.9216 159.038 3.0914 -6.188309      3.639926 
1 1 1 0  2  32 o 146.847 1.4844 215.296  3.0169  145.616 1.8416 148.078 2.3284 -2.462418      2.968724 
1 1 1 0  2  34 o 103.255 1.4222 106.414  2.0629  101.496 1.8873 105.014 2.1281 -3.517754      2.844378 
1 1 1 0  2  36 o 145.238 1.5233 211.040  3.1274  146.071 2.1856 144.404 2.1224 1.666580       3.046534 
1 1 1 0  2  38 o 165.042 1.6006 272.690  3.7350  167.865 2.2442 162.219 2.2829 5.645264       3.201252 
1 1 1 0  2  40 f 58.154  2.0182 33.853   1.6577  59.302  2.9071 57.006  2.8002 2.296104       4.036356 
1 1 1 0  2  42 o 20.490  4.3907 4.2228   1.4018  18.094  6.1737 22.886  6.2447 -4.791925      8.781310 
1 1 1 0  2  44 o 96.073  1.7238 92.886   2.3266  99.108  2.2549 93.038  2.6079 6.069580       3.447525 
1 1 1 0  2  46 o 22.801  4.8490 5.3610   1.6432  21.218  6.2212 24.383  7.4395 -3.165045      9.697942 
1 1 1 0  2  48 o 47.342  3.4134 23.181   1.9831  48.175  3.1809 46.510  6.0405 1.664597       6.826818 
1 1 1 0  2  50 o 34.782  3.9605 13.070   1.7966  35.781  4.2827 33.783  6.6633 1.998447       7.920971 
1 1 1 0  2  52 o 15.823  4.7934 0.4561   1.9702  16.650  6.7147 14.996  6.8425 1.654512       9.586819 
1 1 1 0  2  54 o 18.479  5.5379 2.4412   2.2389  15.472  6.5201 21.485  8.9533 -6.013715      11.07582 
1 1 1 0  2  56 o 19.190  5.0728 4.5030   1.8841  20.207  6.7361 18.173  7.5866 2.034332       10.14551 
1 1 1 0  3  1  o 496.217 3.0980 2462.58  21.737  501.118 4.3959 491.316 4.3666 9.801422       6.196014 
1 1 1 0  3  3  o 420.677 2.5973 1770.03  15.452  419.880 3.6953 421.474 3.6510 -1.594269      5.194671 
1 1 1 0  3  5  o 702.045 6.0323 4931.82  59.886  708.597 8.5333 695.492 8.5288 13.10504       12.06469 
1 1 1 0  3  7  o 542.762 3.4661 2948.81  25.844  544.323 4.1760 541.200 5.5332 3.122620       6.932197 
1 1 1 0  3  9  o 402.712 2.8168 1621.41  15.887  401.836 3.6546 403.588 4.2874 -1.751190      5.633666 
1 1 1 0  3  11 o 357.923 2.4449 1281.35  12.123  358.009 3.0319 357.836 3.8364 0.1734009      4.889802 
1 1 1 0  3  13 o 161.159 1.3758 259.837  3.1169  161.635 1.8171 160.683 2.0663 0.9523468      2.751664 
1 1 1 0  3  15 o 788.109 4.8816 6208.74  52.689  784.086 5.8469 792.132 7.8188 -8.045593      9.763153 
1 1 1 0  3  17 o 518.861 3.4445 2692.43  24.911  518.359 4.3728 519.363 5.3233 -1.003906      6.889056 
1 1 1 0  3  19 o 506.859 3.1133 2569.69  22.316  504.975 4.4255 508.742 4.3802 -3.766907      6.226632 
1 1 1 0  3  21 o 144.227 1.2839 208.034  2.6163  144.360 1.7692 144.094 1.8611 0.2659302      2.567818 
1 1 1 0  3  23 o 190.678 1.5897 363.347  4.2542  189.692 2.0869 191.665 2.3986 -1.972809      3.179380 
1 1 1 0  3  25 o 158.901 1.4086 252.590  3.1525  159.283 1.8840 158.518 2.0945 0.7655640      2.817219 
1 1 1 0  3  27 o 239.114 1.7088 571.883  5.7783  238.140 2.4131 240.089 2.4201 -1.948639      3.417590 
1 1 1 0  3  29 o 311.252 2.6612 964.561  11.028  315.220 4.4158 307.284 2.9714 7.936066       5.322423 
1 1 1 0  3  31 o 235.324 2.0942 555.430  6.7800  237.327 2.5290 233.322 3.3386 4.005386       4.188338 
1 1 1 0  3  33 o 107.064 1.4338 114.675  2.1709  106.885 2.0311 107.243 2.0243 -0.3578339     2.867579 
1 1 1 0  3  35 o 82.615  1.3708 68.443   1.5937  84.471  1.8141 80.758  2.0557 3.713051       2.741676 
1 1 1 0  3  37 f 32.737  3.2785 10.216   1.4366  28.092  4.0913 37.383  5.1240 -9.291286      6.556980 
1 1 1 0  3  39 o 84.064  1.5249 71.002   1.7513  85.139  1.7999 82.990  2.4620 2.149071       3.049780 
1 1 1 0  3  41 o 105.150 1.6385 110.626  2.3994  104.473 2.0780 105.828 2.5340 -1.355034      3.277090 
1 1 1 0  3  43 o 94.627  1.6850 90.226   2.2183  97.043  2.1055 92.210  2.6313 4.833496       3.369975 
1 1 1 0  3  45 o 29.329  5.2441 9.0723   1.9988  29.147  5.4595 29.512  8.9552 -0.3652382     10.48817 
1 1 1 0  3  47 f 61.565  2.6512 38.772   1.8412  62.570  2.1430 60.559  4.8500 2.011402       5.302353 
1 1 1 0  3  49 o 18.455  4.9668 2.7830   1.7966  18.911  6.5885 17.999  7.4342 0.9121914      9.933531 
1 1 1 0  3  51 o 27.417  4.9550 8.7004   1.9218  28.828  6.1604 26.006  7.7627 2.821705       9.910076 
1 1 1 0  3  53 o 37.046  4.5476 15.552   1.9988  37.998  4.0329 36.095  8.1523 1.902866       9.095266 
1 1 1 0  3  55 o 23.436  5.5041 7.1362   2.0188  22.575  6.6359 24.297  8.7832 -1.721878      11.00815 
1 1 1 0  4  2  f 416.011 2.6264 1730.92  15.452  415.696 3.7171 416.326 3.7115 -0.6292725     5.252788 
1 1 1 0  4  4  o 447.541 2.8348 2003.25  17.942  447.584 3.9944 447.498 4.0237 0.8605957E-01  5.669638 
1 1 1 0  4  6  o 325.220 2.1934 1057.60  10.087  321.883 3.0945 328.557 3.1094 -6.674591      4.386818 
1 1 1 0  4  8  o 373.984 2.4978 1401.96  13.003  378.205 3.1401 369.764 3.8853 8.441162       4.995587 
1 1 1 0  4  10 o 584.800 3.7668 3405.64  30.037  576.457 4.4749 593.143 6.0606 -16.68628      7.533571 
1 1 1 0  4  12 o 29.334  1.4097 8.6979   0.5676  30.531  1.6730 28.137  2.2693 2.394791       2.819358 
1 1 1 0  4  14 o 544.844 3.5298 2959.74  26.633  536.707 4.4018 552.981 5.5193 -16.27332      7.059607 
1 1 1 0  4  16 o 832.284 5.0325 6933.26  58.067  832.986 6.2548 831.582 7.8855 1.403870       10.06500 
1 1 1 0  4  18 o 456.138 3.0112 2077.15  18.832  453.185 3.6209 459.092 4.8122 -5.907837      6.022303 
1 1 1 0  4  20 o 529.278 3.7734 2795.92  26.316  526.530 4.0988 532.027 6.3367 -5.497009      7.546805 
1 1 1 0  4  22 o 87.362  1.2676 76.940   1.4898  89.337  1.4294 85.388  2.0937 3.948280       2.535164 
1 1 1 0  4  24 o 225.615 1.6677 507.415  5.2227  222.322 2.0965 228.907 2.5941 -6.585678      3.335398 
1 1 1 0  4  26 o 233.357 1.8274 541.692  5.7841  229.550 2.1418 237.164 2.9615 -7.614029      3.654803 
1 1 1 0  4  28 o 422.189 2.8627 1782.40  16.738  420.674 3.5517 423.703 4.4907 -3.029785      5.725491 
1 1 1 0  4  30 o 122.267 1.9117 152.842  2.9085  126.983 1.8102 117.551 3.3677 9.431824       3.823337 
1 1 1 0  4  32 o 341.410 2.6062 1166.77  12.175  341.003 3.1082 341.817 4.1843 -0.8139038     5.212405 
1 1 1 0  4  34 o 91.533  1.5134 83.463   1.8112  90.672  1.6196 92.394  2.5569 -1.722176      3.026743 
1 1 1 0  4  36 o 53.626  1.8577 28.840   1.4018  54.522  2.4593 52.730  2.7850 1.791264       3.715470 
1 1 1 0  4  38 o 17.342  4.2006 2.7009   1.2642  18.497  5.6740 16.187  6.1956 2.310282       8.401196 
1 1 1 0  4  40 f 168.781 1.6058 286.533  3.7666  172.398 2.0000 165.165 2.5128 7.232162       3.211560 
1 1 1 0  4  42 o 88.234  1.6374 78.070   1.9500  88.412  1.8777 88.056  2.6829 0.3558426      3.274724 
1 1 1 0  4  44 o 61.041  2.4949 35.550   1.7171  57.001  2.1283 65.081  4.5130 -8.079601      4.989715 
1 1 1 0  4  46 o 82.995  2.3469 70.718   2.2412  85.259  1.9471 80.731  4.2709 4.528618       4.693823 
1 1 1 0  4  48 o 71.161  2.4362 51.859   2.1377  72.559  2.2879 69.762  4.3017 2.797150       4.872329 
1 1 1 0  4  50 o 44.870  3.5143 20.498   1.9437  42.950  3.4192 46.789  6.1409 -3.839062      7.028613 
1 1 1 0  4  52 o 15.921  4.7463 1.1317   1.7966  15.618  6.3173 16.225  7.0854 -0.6076679     9.492678 
1 1 1 0  4  54 o 17.749  4.6084 2.0516   1.8590  21.704  6.5308 13.794  6.5037 7.909764       9.216750 
1 1 1 0  4  56 o 22.573  5.5509 7.1211   2.2117  24.094  7.1646 21.052  8.4805 3.041971       11.10177 
1 1 1 0  5  7  o 974.131 9.3706 9511.06  114.947 976.005 9.2373 972.257 16.306 3.747742       18.74110 
1 1 1 0  5  9  o 483.131 3.2041 2334.50  21.530  482.951 4.0324 483.311 4.9806 -0.3602295     6.408277 
1 1 1 0  5  11 o 395.881 2.6945 1569.90  14.695  398.103 3.2719 393.659 4.2820 4.444244       5.388963 
1 1 1 0  5  13 o 676.521 4.1691 4570.12  38.711  671.124 5.0329 681.919 6.6480 -10.79474      8.338202 
1 1 1 0  5  15 o 104.869 1.2869 108.057  1.6733  101.766 1.2549 107.973 2.2472 -6.206818      2.573789 
1 1 1 0  5  17 o 512.085 3.2892 2613.43  23.064  505.807 3.9511 518.362 5.2597 -12.55478      6.578426 
1 1 1 0  5  19 o 1061.84 6.2332 11286.35 91.714  1062.40 7.7349 1061.29 9.7765 1.114624       12.46632 
1 1 1 0  5  21 o 621.613 3.8971 3845.55  33.039  611.275 4.6378 631.950 6.2643 -20.67511      7.794262 
1 1 1 0  5  23 o 310.470 2.1345 967.706  9.1980  315.823 2.6484 305.116 3.3483 10.70673       4.269086 
1 1 1 0  5  25 o 273.718 1.8981 749.981  7.2494  274.856 2.4160 272.581 2.9281 2.274841       3.796106 
1 1 1 0  5  27 o 255.803 1.9027 655.368  6.7461  257.161 2.3588 254.446 2.9862 2.715042       3.805387 
1 1 1 0  5  29 o 255.613 2.0931 653.745  7.5661  256.524 2.9620 254.702 2.9581 1.822220       4.186135 
1 1 1 0  5  31 f 34.967  2.7086 12.135   1.3287  32.141  3.7745 37.793  3.8858 -5.651752      5.417265 
1 1 1 0  5  33 o 36.332  2.3807 13.251   1.1997  36.775  2.9516 35.888  3.7362 0.8874397      4.761451 
1 1 1 0  5  35 o 126.708 1.4784 160.853  2.5618  127.273 1.7559 126.143 2.3790 1.130295       2.956841 
1 1 1 0  5  37 o 178.170 2.1047 321.806  4.7386  182.206 2.0675 174.134 3.6667 8.071381       4.209472 
1 1 1 0  5  39 o 95.960  1.6648 93.421   2.0507  98.548  1.6846 93.372  2.8721 5.175934       3.329644 
1 1 1 0  5  41 o 132.114 1.7518 175.972  2.8733  133.545 1.6734 130.684 3.0781 2.861618       3.503580 
1 1 1 0  5  43 o 64.573  2.1661 42.254   1.7272  65.635  2.0429 63.510  3.8204 2.124630       4.332269 
1 1 1 0  5  45 o 80.238  1.9623 65.737   2.0318  82.918  2.0021 77.557  3.3754 5.361465       3.924521 
1 1 1 0  5  47 o 32.047  4.0534 10.994   1.7414  34.802  4.5867 29.292  6.6844 5.509836       8.106708 
1 1 1 0  5  49 o 54.275  3.0398 30.199   2.0140  53.893  2.8434 54.657  5.3737 -0.7636986     6.079652 
1 1 1 0  5  51 o 43.918  3.8410 20.315   1.9265  43.966  3.1950 43.870  6.9862 0.9576035E-01  7.682095 
1 1 1 0  5  53 o 18.758  5.4996 2.7887   2.0708  15.983  6.3768 21.533  8.9620 -5.549914      10.99912 
1 1 1 0  5  55 o 20.648  5.1859 5.1595   1.9670  22.411  6.4745 18.885  8.1028 3.525583       10.37183 
1 1 1 0  6  0  o 839.132 8.0445 7045.26  134.980 839.132 8.0445 ?       ?      0.000000       0.000000 
1 1 1 0  6  2  o 272.038 1.8753 739.524  7.2061  275.640 2.7102 268.436 2.5927 7.204559       3.750656 
1 1 1 0  6  4  o 705.493 4.2591 4978.24  42.484  707.635 6.0906 703.351 5.9552 4.284119       8.518182 
1 1 1 0  6  6  o 303.805 2.1404 923.167  9.1940  301.882 3.0669 305.729 2.9865 -3.846405      4.280758 
1 1 1 0  6  8  o 619.855 3.8169 3843.39  33.453  620.445 5.4543 619.265 5.3409 1.179932       7.633788 
1 1 1 0  6  10 o 211.700 1.6679 447.359  4.8395  210.315 2.0037 213.084 2.6669 -2.768967      3.335731 
1 1 1 0  6  12 o 518.362 3.3990 2673.52  23.836  510.109 3.9554 526.615 5.5289 -16.50565      6.798042 
1 1 1 0  6  14 o 227.417 1.7591 517.676  5.4539  228.025 2.0721 226.809 2.8433 1.215775       3.518251 
1 1 1 0  6  16 o 443.911 2.9458 1969.25  18.147  442.202 3.6820 445.619 4.5994 -3.417206      5.891684 
1 1 1 0  6  18 o 459.261 3.3265 2091.87  19.348  452.103 3.3471 466.418 5.7496 -14.31464      6.652918 
1 1 1 0  6  20 o 169.746 1.6038 288.299  3.5058  169.918 1.6534 169.574 2.7487 0.3441162      3.207663 
1 1 1 0  6  22 o 224.858 1.7780 507.210  5.1942  226.312 1.8621 223.403 3.0296 2.908920       3.556068 
1 1 1 0  6  24 o 313.868 2.3753 990.561  9.5596  317.089 2.4164 310.648 4.0902 6.441010       4.750676 
1 1 1 0  6  26 o 171.063 1.6341 293.010  3.5916  171.445 1.6759 170.680 2.8057 0.7643890      3.268128 
1 1 1 0  6  28 o 101.492 1.6309 103.821  2.0523  102.821 1.5525 100.163 2.8686 2.658447       3.261755 
1 1 1 0  6  30 o 98.109  2.5756 94.002   2.3365  95.811  1.5994 100.407 4.8966 -4.595589      5.151160 
1 1 1 0  6  32 o 187.668 1.9678 350.158  4.6166  185.548 1.9271 189.788 3.4316 -4.240402      3.935658 
1 1 1 0  6  34 o 185.428 2.0242 342.518  4.5539  184.056 1.8733 186.800 3.5890 -2.744141      4.048497 
1 1 1 0  6  36 o 15.143  4.3528 0.8858   1.3857  14.526  5.4792 15.759  6.7650 -1.232851      8.705570 
1 1 1 0  6  38 o 187.932 2.0829 351.076  4.7388  185.754 1.9249 190.110 3.6945 -4.356110      4.165866 
1 1 1 0  6  40 o 33.204  4.0054 10.399   1.4594  29.842  3.4233 36.565  7.2425 -6.722389      8.010783 
1 1 1 0  6  42 o 107.332 1.7025 115.684  2.4053  107.776 1.8365 106.887 2.8673 0.8893051      3.405082 
1 1 1 0  6  44 o 29.363  4.2888 9.5397   1.6861  34.836  4.2156 23.890  7.4703 10.94678       8.577692 
1 1 1 0  6  46 o 81.182  1.8767 66.701   2.0374  82.492  2.0899 79.873  3.1177 2.619247       3.753310 
1 1 1 0  6  48 o 101.430 1.8961 104.741  2.4621  103.380 1.9146 99.479  3.2734 3.901176       3.792252 
1 1 1 0  6  50 o 34.278  4.6513 13.218   2.0318  36.105  4.5981 32.452  8.0868 3.652370       9.302580 
1 1 1 0  6  52 o 29.408  4.9128 9.8449   1.8437  29.797  4.7142 29.020  8.6207 0.7773666      9.825525 
1 1 1 0  6  54 f 21.504  5.5078 4.7675   1.9581  15.076  6.1525 27.932  9.1373 -12.85631      11.01563 
1 1 1 0  7  3  o 536.144 3.3934 2872.99  25.705  543.781 4.8847 528.508 4.7117 15.27295       6.786747 
1 1 1 0  7  5  o 548.923 3.4796 3013.51  26.997  550.444 5.0111 547.402 4.8290 3.042297       6.959214 
1 1 1 0  7  7  o 371.813 2.4347 1382.65  12.802  370.156 3.4499 373.470 3.4364 -3.314087      4.869379 
1 1 1 0  7  9  o 734.989 4.4634 5406.23  46.387  727.032 6.3672 742.945 6.2566 -15.91296      8.926717 
1 1 1 0  7  11 o 269.486 1.9868 726.801  7.3719  270.108 2.4112 268.863 3.1585 1.244812       3.973657 
1 1 1 0  7  13 o 240.334 1.7934 575.855  5.9690  237.163 2.2346 243.504 2.8057 -6.341415      3.586819 
1 1 1 0  7  15 o 173.695 1.4964 303.011  3.5991  176.949 1.8403 170.441 2.3601 6.508453       2.992785 
1 1 1 0  7  17 o 431.273 2.7939 1863.85  16.649  434.636 3.4229 427.911 4.4167 6.724640       5.587832 
1 1 1 0  7  19 o 227.576 1.8377 518.525  5.3206  228.058 1.8478 227.094 3.1771 0.9635315      3.675421 
1 1 1 0  7  21 o 206.807 1.7781 432.109  4.7339  211.104 1.8148 202.510 3.0584 8.593842       3.556253 
1 1 1 0  7  23 o 133.043 1.5867 174.097  2.6494  129.137 1.5822 136.949 2.7508 -7.811539      3.173356 
1 1 1 0  7  25 o 345.274 2.6954 1185.74  11.536  341.859 2.5962 348.689 4.7244 -6.829895      5.390718 
1 1 1 0  7  27 o 396.847 2.9650 1573.85  15.120  395.695 3.0498 397.998 5.0856 -2.303436      5.929953 
1 1 1 0  7  29 f 112.075 1.5532 126.005  2.2714  112.767 1.6420 111.383 2.6370 1.384583       3.106415 
1 1 1 0  7  31 o 68.044  1.7827 45.687   1.5029  66.461  1.7293 69.626  3.1180 -3.164795      3.565413 
1 1 1 0  7  33 o 114.735 1.6866 130.095  2.4094  112.308 1.6487 117.163 2.9428 -4.855751      3.373223 
1 1 1 0  7  35 o 133.103 1.6696 177.210  2.9039  132.960 1.7768 133.247 2.8272 -0.2875977     3.339196 
1 1 1 0  7  37 o 104.597 1.5764 110.717  2.0870  106.760 1.5550 102.434 2.7427 4.326172       3.152809 
1 1 1 0  7  39 o 116.995 1.6549 136.432  2.4463  116.029 1.6509 117.961 2.8688 -1.932007      3.309899 
1 1 1 0  7  41 o 13.328  4.1566 -0.9851  1.5324  13.375  5.6981 13.281  6.0531 0.9458160E-01  8.313138 
1 1 1 0  7  43 o 93.102  1.6172 87.156   2.0761  94.260  1.9644 91.943  2.5695 2.316582       3.234378 
1 1 1 0  7  45 o 44.460  2.6699 20.142   1.6577  47.207  3.3814 41.714  4.1328 5.492950       5.339893 
1 1 1 0  7  47 f 33.139  4.2727 11.912   1.9134  37.953  4.8788 28.324  7.0157 9.629042       8.545362 
1 1 1 0  7  49 o 49.029  2.8712 24.747   1.9464  48.519  3.5532 49.538  4.5112 -1.019802      5.742459 
1 1 1 0  7  51 o 36.410  4.4266 15.189   2.0123  39.462  4.2069 33.358  7.7899 6.103329       8.853297 
1 1 1 0  7  53 o 56.372  3.0260 33.912   2.1213  57.536  2.8853 55.209  5.3200 2.327385       6.052092 
1 1 1 0  7  55 o 14.308  4.6312 -0.5998  2.0587  13.589  6.1487 15.026  6.9271 -1.436423      9.262310 
1 1 1 0  8  0  o 1170.76 19.154 13741.51 448.230 1170.76 19.154 ?       ?      0.000000       0.000000 
1 1 1 0  8  2  o 986.311 8.2998 9741.01  115.754 973.639 11.798 998.982 11.677 -25.34302      16.59959 
1 1 1 0  8  4  o 1166.99 8.7373 13640.69 142.371 1167.63 13.436 1166.35 11.173 1.283325       17.47461 
1 1 1 0  8  6  o 687.125 4.6675 4704.90  44.451  699.145 7.2787 675.105 5.8450 24.04083       9.335054 
1 1 1 0  8  8  o 510.571 3.2630 2607.33  23.552  513.900 4.6717 507.242 4.5568 6.657867       6.526009 
1 1 1 0  8  10 o 375.723 2.4994 1411.97  13.280  372.878 3.5275 378.569 3.5419 -5.690826      4.998833 
1 1 1 0  8  12 o 310.339 2.1803 965.467  9.3501  313.206 2.6706 307.472 3.4472 5.734009       4.360641 
1 1 1 0  8  14 o 437.136 2.8728 1909.48  17.411  435.379 3.5784 438.894 4.4953 -3.514313      5.745687 
1 1 1 0  8  16 o 982.291 6.1028 9663.85  84.469  989.497 8.1757 975.084 9.0627 14.41260       12.20553 
1 1 1 0  8  18 o 817.056 4.9194 6665.32  55.116  810.984 5.9207 823.128 7.8579 -12.14337      9.838730 
1 1 1 0  8  20 o 203.973 1.7953 420.619  4.8858  209.768 1.9785 198.178 2.9963 11.59007       3.590620 
1 1 1 0  8  22 o 617.739 4.2675 3817.41  33.100  617.241 4.1895 618.237 7.4360 -0.9955444     8.535034 
1 1 1 0  8  24 o 43.223  2.1237 18.405   1.1972  41.823  2.2900 44.623  3.5772 -2.800102      4.247407 
1 1 1 0  8  26 o 320.505 2.5013 1027.93  10.264  320.592 2.5493 320.418 4.3043 0.1742249      5.002581 
1 1 1 0  8  28 o 349.535 2.8001 1204.84  12.726  338.666 2.9977 360.405 4.7303 -21.73837      5.600143 
1 1 1 0  8  30 o 300.826 2.7647 916.262  10.225  306.479 2.5834 295.173 4.8887 11.30594       5.529327 
1 1 1 0  8  32 o 202.959 2.0146 413.744  5.1323  204.308 1.9689 201.611 3.5154 2.697159       4.029204 
1 1 1 0  8  34 o 84.975  1.8406 72.627   1.9136  85.673  1.7141 84.277  3.2578 1.395782       3.681231 
1 1 1 0  8  36 o 87.593  1.6036 77.100   1.8841  88.519  1.8033 86.666  2.6523 1.853874       3.207250 
1 1 1 0  8  38 o 142.184 1.7032 200.071  3.1305  138.860 1.7933 145.507 2.8962 -6.647324      3.406418 
1 1 1 0  8  40 o 24.945  4.3290 6.6072   1.5043  28.044  4.3260 21.847  7.4997 6.196985       8.657910 
1 1 1 0  8  42 o 75.444  2.0112 57.721   2.0761  78.271  2.3657 72.618  3.2533 5.652779       4.022495 
1 1 1 0  8  44 o 22.344  4.4977 5.1346   1.5218  18.596  6.3190 26.091  6.4021 -7.494572      8.995421 
1 1 1 0  8  46 o 81.105  2.0232 66.750   2.1907  82.600  2.2417 79.610  3.3686 2.990471       4.046311 
1 1 1 0  8  48 o 27.032  4.9106 8.1930   2.1844  34.519  4.8093 19.544  8.5630 14.97481       9.821144 
1 1 1 0  8  50 o 37.631  4.7576 15.041   1.9103  36.571  3.6665 38.692  8.7805 -2.121300      9.515227 
1 1 1 0  8  52 o 23.330  5.7115 6.2893   2.1550  20.614  7.0004 26.046  9.0267 -5.432453      11.42305 
1 1 1 0  8  54 o 15.598  4.7238 1.3173   1.6937  12.480  5.5056 18.716  7.6776 -6.236049      9.447624 
1 1 1 0  9  1  o 1145.94 9.3526 13156.87 151.478 1160.31 13.405 1131.57 13.046 28.74609       18.70523 
1 1 1 0  9  3  o 1286.10 13.348 16422.01 225.515 1320.86 22.367 1251.35 14.573 69.51294       26.69549 
1 1 1 0  9  5  o 793.093 5.1087 6292.35  56.590  795.317 7.8436 790.869 6.5476 4.448486       10.21731 
1 1 1 0  9  7  o 524.177 3.3639 2748.86  24.927  524.331 4.8345 524.023 4.6789 0.3085938      6.727879 
1 1 1 0  9  9  o 452.784 2.9662 2049.99  18.983  446.380 4.1482 459.189 4.2410 -12.80847      5.932437 
1 1 1 0  9  11 o 294.834 2.1133 869.382  8.8109  291.716 2.9986 297.952 2.9787 -6.236267      4.226675 
1 1 1 0  9  13 o 294.730 2.0892 868.735  8.5385  294.712 2.5998 294.748 3.2711 -0.3625488E-01 4.178409 
1 1 1 0  9  15 o 979.700 5.8268 9605.28  79.028  979.678 7.2083 979.722 9.1567 -0.4376221E-01 11.65354 
1 1 1 0  9  17 o 298.623 2.2055 888.544  8.9824  295.080 2.6182 302.167 3.5500 -7.087494      4.411073 
1 1 1 0  9  19 f 543.569 3.4696 2952.00  26.082  540.689 4.2867 546.449 5.4567 -5.759949      6.939130 
1 1 1 0  9  21 o 264.962 1.9947 698.377  7.2894  259.499 2.4605 270.425 3.1403 -10.92633      3.989430 
1 1 1 0  9  23 o 281.479 2.3512 798.636  8.4160  285.587 2.3475 277.371 4.0745 8.216064       4.702409 
1 1 1 0  9  25 o 299.506 2.5071 891.436  9.2579  296.154 2.3931 302.857 4.4063 -6.702515      5.014230 
1 1 1 0  9  27 o 266.441 2.1897 711.302  7.7489  267.370 2.4120 265.511 3.6553 1.858612       4.379376 
1 1 1 0  9  29 o 330.503 2.6854 1092.99  17.750  330.503 2.6854 ?       ?      ?              ?        
1 1 1 0  9  31 o 223.177 2.2965 495.326  6.2825  220.842 2.1684 225.512 4.0488 -4.669571      4.592944 
1 1 1 0  9  33 f 32.945  2.9249 11.147   1.2708  34.991  3.1021 30.898  4.9595 4.093151       5.849786 
1 1 1 0  9  35 o 70.017  1.8612 48.793   1.7520  68.894  2.1316 71.140  3.0516 -2.245415      3.722394 
1 1 1 0  9  37 o 52.050  2.3407 27.804   1.6208  55.440  2.5337 48.660  3.9365 6.779713       4.681427 
1 1 1 0  9  39 o 54.378  2.4627 29.490   1.7438  53.663  2.6176 55.093  4.1722 -1.429600      4.925406 
1 1 1 0  9  41 o 46.655  2.6196 21.896   1.7145  46.607  3.4249 46.702  3.9649 -0.9449387E-01 5.239286 
1 1 1 0  9  43 o 47.998  2.6726 23.406   1.7673  49.633  3.2161 46.362  4.2693 3.270748       5.345142 
1 1 1 0  9  45 o 61.879  2.7325 39.470   2.1044  64.035  2.5925 59.724  4.8109 4.311626       5.464998 
1 1 1 0  9  47 o 76.939  2.5053 58.533   2.4628  73.175  2.6177 80.704  4.2723 -7.528984      5.010502 
1 1 1 0  9  49 o 19.769  5.1293 3.7326   1.8297  19.770  6.4610 19.767  7.9683 0.2967834E-02  10.25861 
1 1 1 0  9  51 o 16.423  4.9258 1.1514   1.7962  13.122  5.7152 19.724  8.0243 -6.601217      9.851552 
1 1 1 0  9  53 o 33.215  4.5007 12.982   1.8475  35.496  4.1373 30.935  7.9943 4.561220       9.001474 
1 1 1 0  9  55 o 19.894  4.9426 5.0090   1.8164  22.180  6.6637 17.607  7.3014 4.572124       9.885173 
1 1 1 0  10 0  o 185.813 2.2343 345.431  8.3006  185.813 2.2343 ?       ?      0.000000       0.000000 
1 1 1 0  10 2  o 512.396 3.3529 2626.58  24.292  512.711 4.7946 512.081 4.6883 0.6302490      6.705821 
1 1 1 0  10 4  o 349.230 2.3729 1220.09  11.714  347.529 3.4173 350.931 3.2932 -3.402893      4.745881 
1 1 1 0  10 6  f 455.772 2.9334 2077.76  18.878  456.992 4.2754 454.553 4.0174 2.439148       5.866740 
1 1 1 0  10 8  o 332.397 2.2686 1105.25  10.663  330.716 3.2435 334.078 3.1727 -3.362610      4.537214 
1 1 1 0  10 10 o 369.167 2.5133 1363.03  13.119  370.472 3.5849 367.862 3.5235 2.609741       5.026561 
1 1 1 0  10 12 o 632.375 3.9063 4000.47  34.909  632.214 5.6456 632.536 5.4005 -0.3228760     7.812696 
1 1 1 0  10 14 o 298.797 2.1291 894.130  8.9454  302.303 2.8091 295.291 3.2002 7.012360       4.258221 
1 1 1 0  10 16 o 369.614 2.5604 1370.11  13.248  376.096 3.2936 363.132 3.9211 12.96426       5.120775 
1 1 1 0  10 18 o 750.019 4.7440 5622.48  48.744  746.908 5.6848 753.131 7.5963 -6.223511      9.487943 
1 1 1 0  10 20 o 315.428 2.3296 993.103  10.012  313.345 2.7509 317.511 3.7605 -4.165680      4.659282 
1 1 1 0  10 22 o 131.913 1.5351 173.553  2.7807  130.610 1.8577 133.217 2.4444 -2.607803      3.070198 
1 1 1 0  10 24 o 44.724  1.9670 20.484   1.1113  46.726  1.9131 42.722  3.4375 4.003994       3.933954 
1 1 1 0  10 26 o 84.890  1.6427 72.281   1.8112  85.384  1.7199 84.395  2.7993 0.9894714      3.285469 
1 1 1 0  10 28 o 96.893  1.6061 93.755   2.1033  96.406  1.8545 97.380  2.6227 -0.9747162     3.212121 
1 1 1 0  10 30 f 158.213 1.7829 249.738  3.4862  157.455 1.7032 158.972 3.1328 -1.516510      3.565880 
1 1 1 0  10 32 o 174.723 2.0642 300.991  4.3982  170.557 1.9467 178.890 3.6406 -8.332825      4.128429 
1 1 1 0  10 34 o 79.593  1.6175 63.421   1.6253  79.650  1.6033 79.536  2.8098 0.1142654      3.235010 
1 1 1 0  10 36 o 58.931  1.9938 34.371   1.6208  56.238  2.4978 61.624  3.1084 -5.386269      3.987601 
1 1 1 0  10 38 o 165.950 1.8334 276.185  3.9480  166.383 1.9188 165.517 3.1247 0.8663635      3.666790 
1 1 1 0  10 40 o 63.518  2.0054 40.711   1.6857  64.461  2.1792 62.575  3.3673 1.886292       4.010892 
1 1 1 0  10 42 o 61.848  2.2206 38.183   1.8389  60.871  2.5175 62.825  3.6587 -1.954853      4.441186 
1 1 1 0  10 44 o 17.232  4.6277 1.5484   1.6761  19.169  6.1687 15.296  6.9000 3.873487       9.255425 
1 1 1 0  10 46 o 14.319  4.2064 -0.5534  1.5324  15.699  5.6819 12.939  6.2041 2.759652       8.412750 
1 1 1 0  10 48 o 28.715  4.5891 9.1989   1.7966  30.602  5.0076 26.828  7.6918 3.773909       9.178177 
1 1 1 0  10 50 o 27.327  4.9835 8.8268   1.9832  31.299  5.1000 23.355  8.5632 7.943901       9.966923 
1 1 1 0  10 52 o 14.345  4.7520 -1.7808  2.0572  12.274  5.5970 16.415  7.6810 -4.140534      9.503935 
1 1 1 0  10 54 o 17.119  5.1568 1.8147   2.2230  17.693  6.8412 16.544  7.7180 1.148626       10.31355 
1 1 1 0  11 1  o 187.299 1.5806 350.973  4.1761  186.497 2.3281 188.101 2.1385 -1.603958      3.161214 
1 1 1 0  11 3  o 206.704 1.6821 427.267  4.9157  210.642 2.3644 202.766 2.3932 7.876175       3.364185 
1 1 1 0  11 5  o 339.792 2.3519 1154.93  11.302  338.383 3.3399 341.201 3.3123 -2.818695      4.703815 
1 1 1 0  11 7  o 174.172 1.5351 303.816  3.7499  172.485 2.3321 175.860 1.9969 -3.374863      3.070264 
1 1 1 0  11 9  o 365.971 2.5109 1339.45  12.987  366.807 3.6207 365.135 3.4799 1.672119       5.021839 
1 1 1 0  11 11 o 726.652 4.4114 5281.98  45.325  730.338 6.2947 722.966 6.1822 7.371765       8.822849 
1 1 1 0  11 13 o 618.205 3.7871 3823.29  33.106  613.536 5.4012 622.873 5.3100 -9.337219      7.574240 
1 1 1 0  11 15 o 402.391 2.7988 1619.04  15.833  401.491 3.7055 403.290 4.1956 -1.799011      5.597628 
1 1 1 0  11 17 o 388.222 2.6616 1504.76  14.107  385.925 3.1600 390.519 4.2837 -4.593567      5.323189 
1 1 1 0  11 19 o 553.736 3.5765 3065.49  27.264  552.095 4.3485 555.377 5.6794 -3.282776      7.152969 
1 1 1 0  11 21 o 310.014 2.2948 963.313  9.7020  312.007 2.7013 308.021 3.7105 3.986328       4.589679 
1 1 1 0  11 23 o 566.708 3.6261 3212.77  28.417  565.105 4.4744 568.311 5.7074 -3.205933      7.252223 
1 1 1 0  11 25 o 256.864 2.1626 663.875  7.5549  261.506 2.5149 252.221 3.5188 9.285263       4.325137 
1 1 1 0  11 27 o 158.248 1.7490 250.106  3.7466  157.454 2.0276 159.042 2.8504 -1.588776      3.498005 
1 1 1 0  11 29 o 162.801 2.1167 266.298  4.3627  163.995 2.1025 161.607 3.6744 2.388275       4.233399 
1 1 1 0  11 31 o 209.485 2.1534 441.983  5.7962  212.109 2.1975 206.860 3.7040 5.249176       4.306785 
1 1 1 0  11 33 o 183.159 1.8986 337.297  4.5708  185.045 2.0358 181.273 3.2053 3.772141       3.797190 
1 1 1 0  11 35 o 115.558 1.8100 132.165  2.5397  113.478 1.6880 117.637 3.2024 -4.158783      3.620021 
1 1 1 0  11 37 o 73.343  1.9040 53.651   1.7793  72.766  1.9305 73.921  3.2823 -1.154831      3.807931 
1 1 1 0  11 39 o 70.585  2.1633 49.929   1.8018  70.524  1.9013 70.646  3.8864 -0.1213913     4.326522 
1 1 1 0  11 41 o 11.729  3.9104 -4.0672  1.6866  9.9931  4.8763 13.464  6.1143 -3.471248      7.820735 
1 1 1 0  11 43 o 82.509  2.0135 69.012   2.2348  84.406  2.2694 80.612  3.3267 3.793648       4.027045 
1 1 1 0  11 45 o 24.116  5.1252 5.8381   1.8112  19.518  6.4610 28.715  7.9576 -9.197176      10.25032 
1 1 1 0  11 47 o 21.553  5.2815 4.7043   1.9608  19.034  7.0618 24.071  7.8556 -5.036369      10.56309 
1 1 1 0  11 49 o 22.791  5.6474 5.5909   2.1727  22.749  6.9434 22.833  8.9087 -0.8419800E-01 11.29490 
1 1 1 0  11 51 o 14.001  4.4376 -2.4975  1.9721  15.002  6.1425 13.000  6.4061 2.001985       8.875148 
1 1 1 0  11 53 o 16.350  4.9545 1.7319   1.9454  15.096  6.3133 17.604  7.6373 -2.508211      9.908924 
1 1 1 0  12 0  o 153.285 2.0419 235.097  6.2573  153.285 2.0419 ?       ?      0.000000       0.000000 
1 1 1 0  12 2  o 209.966 1.6023 440.744  4.7549  204.493 2.2793 215.440 2.2524 -10.94662      3.204502 
1 1 1 0  12 4  o 836.545 5.0383 7001.47  59.553  844.010 7.2701 829.081 6.9774 14.92932       10.07664 
1 1 1 0  12 6  o 481.136 3.1623 2314.75  21.505  485.704 4.5354 476.568 4.4079 9.136993       6.324503 
1 1 1 0  12 8  o 522.708 3.3341 2732.81  24.644  524.398 4.7486 521.018 4.6814 3.380737       6.668192 
1 1 1 0  12 10 o 710.794 4.4106 5054.96  44.272  709.796 6.4319 711.791 6.0371 -1.995361      8.821284 
1 1 1 0  12 12 o 754.828 4.5462 5691.21  48.378  767.780 6.6696 741.876 6.1796 25.90411       9.092347 
1 1 1 0  12 14 o 1038.27 5.9968 10790.16 88.049  1035.05 8.5315 1041.49 8.4297 -6.438110      11.99360 
1 1 1 0  12 16 o 870.640 5.2866 7587.42  63.378  870.753 6.4235 870.527 8.3982 0.2258911      10.57316 
1 1 1 0  12 18 o 552.685 3.4989 3052.35  26.739  549.812 4.3201 555.559 5.5052 -5.746582      6.997848 
1 1 1 0  12 20 o 218.536 1.8020 478.781  5.4564  220.732 2.2274 216.339 2.8333 4.392776       3.604020 
1 1 1 0  12 22 o 175.866 1.6058 309.528  3.8928  176.252 1.9562 175.480 2.5470 0.7718201      3.211582 
1 1 1 0  12 24 o 317.487 2.2825 1006.65  10.114  314.357 2.9248 320.617 3.5050 -6.259430      4.565072 
1 1 1 0  12 26 f 134.021 1.4488 179.651  2.7441  133.641 2.0067 134.402 2.0903 -0.7603149     2.897599 
1 1 1 0  12 28 o 69.849  1.8846 49.497   1.5881  71.371  1.6998 68.327  3.3642 3.044044       3.769197 
1 1 1 0  12 30 o 131.828 1.6289 174.956  2.8698  133.972 1.8111 129.684 2.7079 4.287903       3.257741 
1 1 1 0  12 32 o 56.534  2.0715 32.740   1.5554  59.989  2.2352 53.080  3.4884 6.909233       4.143099 
1 1 1 0  12 34 o 84.046  1.5001 71.201   1.7274  86.183  1.7781 81.910  2.4165 4.273155       3.000201 
1 1 1 0  12 36 o 44.576  2.4673 19.943   1.4898  44.738  2.8544 44.414  4.0253 0.3234558      4.934658 
1 1 1 0  12 38 o 39.852  3.8219 16.539   1.6580  41.149  2.9482 38.554  7.0525 2.595116       7.643896 
1 1 1 0  12 40 o 40.783  3.0769 16.970   1.6648  42.021  3.3429 39.546  5.1667 2.475330       6.153849 
1 1 1 0  12 42 o 55.284  2.9839 30.703   2.0140  54.882  2.7922 55.687  5.2744 -0.8046227     5.967871 
1 1 1 0  12 44 o 33.961  4.3871 11.874   1.9454  32.390  4.9282 35.531  7.2594 -3.140491      8.774177 
1 1 1 0  12 46 o 52.542  3.0677 27.350   2.0140  49.717  3.0823 55.366  5.3049 -5.648621      6.135355 
1 1 1 0  12 48 o 44.137  3.8978 20.053   2.0117  42.619  3.4458 45.655  6.9927 -3.036045      7.795548 
1 1 1 0  12 50 o 60.191  2.7898 37.038   2.2520  57.103  3.2427 63.280  4.5406 -6.176281      5.579593 
1 1 1 0  12 52 o 24.713  5.0599 7.6121   2.0358  29.293  5.6510 20.134  8.3950 9.159100       10.11980 
1 1 1 0  12 54 o 17.175  5.0917 1.9155   2.2135  18.497  6.8156 15.854  7.5665 2.643229       10.18348 
1 1 1 0  13 1  o 861.652 5.2159 7426.60  63.533  848.001 7.3338 875.303 7.4187 -27.30200      10.43172 
1 1 1 0  13 3  o 616.259 3.9089 3796.78  34.019  622.540 5.6718 609.979 5.3804 12.56085       7.817792 
1 1 1 0  13 5  o 707.697 4.3000 5010.55  43.035  707.142 6.0948 708.252 6.0672 -1.110657      8.599901 
1 1 1 0  13 7  o 724.598 4.3056 5252.60  44.120  723.705 6.0700 725.491 6.1079 -1.786011      8.611134 
1 1 1 0  13 9  o 588.323 3.6449 3458.38  30.275  578.508 5.0219 598.137 5.2841 -19.62891      7.289759 
1 1 1 0  13 11 o 149.262 1.4995 223.008  3.1577  147.379 2.2095 151.144 2.0277 -3.764877      2.998953 
1 1 1 0  13 13 o 559.607 3.5287 3131.69  27.838  561.464 5.2084 557.751 4.7623 3.712952       7.057436 
1 1 1 0  13 15 o 293.327 2.6956 861.531  10.602  294.157 3.0389 292.497 4.4532 1.660278       5.391273 
1 1 1 0  13 17 o 452.574 2.9494 2048.28  18.450  451.878 3.6314 453.271 4.6486 -1.393005      5.898855 
1 1 1 0  13 19 o 293.091 2.1818 859.570  8.8318  293.473 2.6761 292.710 3.4465 0.7634583      4.363500 
1 1 1 0  13 21 o 206.176 1.6469 424.991  4.6624  205.857 1.9851 206.495 2.6283 -0.6376953     3.293703 
1 1 1 0  13 23 o 89.999  1.5811 81.050   2.0108  90.815  2.1796 89.183  2.2910 1.632507       3.162173 
1 1 1 0  13 25 o 48.921  1.7536 23.944   1.2132  49.247  2.4634 48.594  2.4965 0.6525993      3.507282 
1 1 1 0  13 27 o 12.932  3.9787 -0.9694  1.4018  10.837  5.0544 15.027  6.1459 -4.190132      7.957309 
1 1 1 0  13 29 o 58.690  2.1389 34.396   1.7089  58.264  2.5205 59.116  3.4563 -0.8527527     4.277724 
1 1 1 0  13 31 o 185.357 2.0216 345.152  4.7561  186.629 2.0185 184.084 3.5032 2.545166       4.043158 
1 1 1 0  13 33 o 126.324 1.6397 160.296  2.6832  127.264 1.7058 125.385 2.8008 1.878578       3.279380 
1 1 1 0  13 35 o 91.782  1.7842 84.306   2.1655  91.701  1.9496 91.862  2.9888 -0.1612854     3.568449 
1 1 1 0  13 37 o 168.392 1.8748 284.943  4.0202  169.336 1.8853 167.448 3.2412 1.888168       3.749620 
1 1 1 0  13 39 o 27.204  4.7807 7.4287   1.7438  22.843  6.0517 31.565  7.4025 -8.722380      9.561405 
1 1 1 0  13 41 o 74.104  2.3780 55.376   2.1140  74.530  2.1418 73.678  4.2464 0.8519516      4.755936 
1 1 1 0  13 43 o 25.948  5.0518 7.1087   1.8623  24.182  6.4715 27.715  7.7590 -3.532158      10.10360 
1 1 1 0  13 45 o 15.473  4.7795 -0.5826  1.9714  15.472  6.4524 15.475  7.0527 -0.2529144E-02 9.558982 
1 1 1 0  13 47 o 60.923  2.4916 37.961   2.1156  60.348  3.1741 61.498  3.8415 -1.149879      4.983215 
1 1 1 0  13 49 o 16.840  5.1866 0.7024   2.2348  15.418  6.6939 18.262  7.9243 -2.843700      10.37322 
1 1 1 0  13 51 o 21.888  5.7379 5.2892   2.1899  17.906  6.8607 25.870  9.1993 -7.963737      11.47589 
1 1 1 0  13 53 o 14.063  4.6110 -1.3591  2.1180  13.630  6.1082 14.495  6.9091 -0.8645678     9.222046 
1 1 1 0  14 0  o 463.485 4.2576 2148.95  39.460  463.485 4.2576 ?       ?      0.000000       0.000000 
1 1 1 0  14 2  o 395.782 2.6647 1567.09  14.906  393.006 3.8505 398.557 3.6847 -5.551605      5.329449 
1 1 1 0  14 4  o 1014.85 6.2302 10303.98 89.374  1027.20 8.9075 1002.50 8.7130 24.69690       12.46032 
1 1 1 0  14 6  o 903.068 5.2720 8160.48  67.330  902.459 7.4643 903.676 7.4472 -1.216614      10.54401 
1 1 1 0  14 8  o 770.826 4.6807 5944.50  50.996  771.580 6.7444 770.071 6.4922 1.508484       9.361390 
1 1 1 0  14 10 o 248.491 1.8549 616.569  6.4821  251.586 2.7663 245.396 2.4718 6.189682       3.709797 
1 1 1 0  14 12 o 234.944 1.9094 551.784  6.2690  235.566 2.9273 234.321 2.4524 1.245438       3.818865 
1 1 1 0  14 14 o 46.379  2.1301 21.611   1.3364  45.758  3.4885 47.000  2.4454 -1.241596      4.260192 
1 1 1 0  14 16 o 139.909 1.3715 195.757  2.7133  139.635 1.9205 140.183 1.9586 -0.5473328     2.743056 
1 1 1 0  14 18 o 402.171 2.7273 1617.83  15.324  401.649 3.4974 402.692 4.1860 -1.043243      5.454696 
1 1 1 0  14 20 o 461.886 3.1144 2124.64  19.651  454.550 3.7224 469.223 4.9940 -14.67285      6.228717 
1 1 1 0  14 22 o 86.602  1.3463 75.261   1.5975  87.600  1.6035 85.605  2.1630 1.995148       2.692599 
1 1 1 0  14 24 f 101.592 1.5424 103.330  2.1802  102.004 1.9405 101.180 2.3980 0.8240585      3.084798 
1 1 1 0  14 26 o 47.379  2.3111 22.910   1.4672  50.014  2.5533 44.745  3.8529 5.269249       4.622137 
1 1 1 0  14 28 o 281.712 2.5001 791.736  9.3147  279.361 2.7427 284.063 4.1808 -4.702240      5.000179 
1 1 1 0  14 30 o 253.191 2.5174 637.083  8.0745  249.607 2.5325 256.774 4.3516 -7.167526      5.034869 
1 1 1 0  14 32 o 74.272  1.8133 55.215   1.7438  74.250  1.8919 74.294  3.0940 -0.4429626E-01 3.626534 
1 1 1 0  14 34 o 10.721  3.5946 -3.5673  1.4575  10.612  4.9771 10.831  5.1877 -0.2193766     7.189134 
1 1 1 0  14 36 o 135.337 1.7974 183.141  3.1621  134.828 1.8943 135.847 3.0551 -1.018555      3.594725 
1 1 1 0  14 38 o 54.140  2.4734 29.816   1.8164  56.298  2.8354 51.981  4.0535 4.316452       4.946752 
1 1 1 0  14 40 o 64.121  2.4658 40.774   1.9831  62.628  2.4468 65.614  4.2817 -2.985867      4.931559 
1 1 1 0  14 42 o 28.169  4.8606 8.6355   1.9050  30.539  5.6487 25.799  7.9117 4.739845       9.721290 
1 1 1 0  14 44 o 38.963  3.3072 15.454   1.7923  37.772  4.2261 40.155  5.0883 -2.383575      6.614431 
1 1 1 0  14 46 o 20.908  5.1646 4.4998   1.8398  19.564  6.7331 22.252  7.8332 -2.687958      10.32922 
1 1 1 0  14 48 o 14.502  4.6339 -1.0092  1.8784  12.401  5.6393 16.603  7.3546 -4.202119      9.267744 
1 1 1 0  14 50 f 31.674  4.4164 11.365   1.8389  31.749  4.8266 31.598  7.3974 0.1505184      8.832800 
1 1 1 0  14 52 o 21.770  5.5426 6.1479   2.1892  22.587  7.3790 20.953  8.2722 1.633812       11.08512 
1 1 1 0  15 1  o 215.395 1.9285 463.258  5.8569  219.115 2.8266 211.676 2.6243 7.438492       3.857016 
1 1 1 0  15 3  o 397.750 2.7355 1580.73  15.361  391.901 3.7636 403.598 3.9709 -11.69690      5.471057 
1 1 1 0  15 5  o 181.018 1.6473 327.863  4.2132  178.849 2.3920 183.188 2.2656 -4.338913      3.294589 
1 1 1 0  15 7  o 51.285  1.8540 26.258   1.3287  51.783  2.8360 50.788  2.3887 0.9951782      3.707933 
1 1 1 0  15 9  o 215.997 1.7820 465.898  5.3792  217.768 2.7268 214.225 2.2950 3.543655       3.564052 
1 1 1 0  15 11 o 368.456 2.4658 1356.06  12.772  372.289 3.6874 364.623 3.2746 7.665863       4.931554 
1 1 1 0  15 13 o 147.113 1.5728 215.421  3.1950  149.823 2.4718 144.402 1.9456 5.421158       3.145630 
1 1 1 0  15 15 o 424.776 2.8539 1805.13  17.142  423.283 4.0125 426.270 4.0593 -2.987457      5.707705 
1 1 1 0  15 17 o 596.971 3.6841 3567.04  31.079  597.076 5.3255 596.865 5.0921 0.2101440      7.368215 
1 1 1 0  15 19 o 141.444 1.4406 199.892  2.8506  140.589 1.8621 142.299 2.1987 -1.710876      2.881219 
1 1 1 0  15 21 o 193.518 1.6879 374.642  4.5538  193.607 2.1437 193.430 2.6078 0.1765594      3.375749 
1 1 1 0  15 23 o 472.103 3.4969 2234.18  21.808  472.970 3.8070 471.237 5.8670 1.732635       6.993869 
1 1 1 0  15 25 o 223.421 1.8568 497.583  5.7500  219.796 2.3240 227.047 2.8966 -7.251190      3.713641 
1 1 1 0  15 27 o 86.582  1.5154 74.740   1.8318  85.001  1.9531 88.163  2.3175 -3.162781      3.030745 
1 1 1 0  15 29 o 214.079 1.8723 460.318  5.5601  217.498 2.3192 210.659 2.9401 6.839600       3.744670 
1 1 1 0  15 31 o 49.976  2.3835 24.931   1.5987  49.484  2.7097 50.468  3.9220 -0.9844322     4.767007 
1 1 1 0  15 33 o 66.182  1.7814 43.755   1.6380  65.469  2.2432 66.895  2.7680 -1.426613      3.562805 
1 1 1 0  15 35 o 142.133 1.6710 201.624  3.2208  140.709 1.9512 143.557 2.7131 -2.847916      3.341920 
1 1 1 0  15 37 o 84.577  1.7857 69.910   1.9503  80.328  1.9077 88.825  3.0191 -8.496353      3.571316 
1 1 1 0  15 39 o 16.674  4.8759 0.9159   1.7438  14.145  5.9195 19.204  7.7497 -5.058981      9.751845 
1 1 1 0  15 41 o 111.409 1.8732 126.515  2.8037  115.993 2.0918 106.824 3.1081 9.168694       3.746453 
1 1 1 0  15 43 o 80.107  1.8948 64.819   2.1385  83.224  2.5318 76.989  2.8198 6.234871       3.789596 
1 1 1 0  15 45 o 14.051  4.4141 -0.8359  1.7553  13.619  6.1055 14.484  6.3765 -0.8647022     8.828166 
1 1 1 0  15 47 o 17.271  4.9434 0.9433   1.9052  12.152  5.6084 22.389  8.1420 -10.23733      9.886726 
1 1 1 0  15 49 o 21.159  4.9992 5.1035   1.7787  22.413  6.8082 19.904  7.3224 2.508760       9.998408 
1 1 1 0  15 51 o 21.160  5.4004 5.4067   2.0354  18.986  7.0582 23.335  8.1756 -4.349077      10.80086 
1 1 1 0  16 0  o 765.165 6.5433 5857.64  100.118 765.165 6.5433 ?       ?      0.000000       0.000000 
1 1 1 0  16 2  o 825.581 4.9854 6820.47  58.190  824.218 7.1503 826.945 6.9491 -2.727844      9.970804 
1 1 1 0  16 4  o 346.610 2.5531 1201.47  12.513  342.898 3.6124 350.321 3.6088 -7.422607      5.106189 
1 1 1 0  16 6  o 454.723 3.0163 2069.19  19.360  451.855 4.4229 457.592 4.1024 -5.736603      6.032542 
1 1 1 0  16 8  o 477.410 3.1167 2279.83  21.028  476.745 4.3125 478.075 4.5009 -1.330200      6.233460 
1 1 1 0  16 10 o 346.500 2.3910 1200.81  11.716  343.838 3.3797 349.162 3.3831 -5.324158      4.782011 
1 1 1 0  16 12 o 199.445 1.8002 397.899  5.0743  198.820 2.6013 200.070 2.4893 -1.249725      3.600453 
1 1 1 0  16 14 o 99.891  1.3791 99.820   1.9469  99.219  1.9949 100.562 1.9048 -1.342743      2.758274 
1 1 1 0  16 16 o 211.463 1.8178 447.231  5.4085  211.626 2.7154 211.300 2.4174 0.3261871      3.635592 
1 1 1 0  16 18 o 207.264 1.7210 429.714  5.0442  208.373 2.4207 206.155 2.4468 2.218063       3.441920 
1 1 1 0  16 20 f 159.705 1.6046 255.768  3.5937  162.526 2.0822 156.883 2.4420 5.642929       3.209140 
1 1 1 0  16 22 o 62.725  2.2037 40.150   1.8181  65.685  2.3330 59.765  3.7392 5.919773       4.407331 
1 1 1 0  16 24 o 42.927  2.1146 18.328   1.2483  41.966  2.5865 43.889  3.3461 -1.922684      4.229246 
1 1 1 0  16 26 o 280.154 2.1505 786.455  8.3589  281.550 2.6760 278.759 3.3671 2.791473       4.300969 
1 1 1 0  16 28 o 213.849 1.9504 456.411  5.6956  211.821 2.3211 215.876 3.1352 -4.054825      3.900866 
1 1 1 0  16 30 o 93.823  1.5650 88.145   2.0746  92.733  2.2722 94.913  2.1527 -2.180145      3.130017 
1 1 1 0  16 32 o 74.835  2.1437 56.472   2.0987  75.932  2.2704 73.738  3.6368 2.194115       4.287344 
1 1 1 0  16 34 o 68.479  1.8652 47.185   1.7673  69.797  2.2870 67.161  2.9472 2.636391       3.730465 
1 1 1 0  16 36 o 70.009  2.3937 49.006   2.2321  69.293  2.6722 70.725  3.9723 -1.431656      4.787491 
1 1 1 0  16 38 o 90.350  2.1558 82.167   2.2545  90.756  1.8292 89.943  3.9044 0.8125229      4.311679 
1 1 1 0  16 40 o 56.368  2.4997 32.053   1.8590  56.469  2.7137 56.267  4.1987 0.2019539      4.999304 
1 1 1 0  16 42 o 45.214  2.9412 20.499   1.8571  40.574  4.0916 49.855  4.2264 -9.281429      5.882470 
1 1 1 0  16 44 o 82.078  2.0992 68.325   2.3225  82.713  2.3930 81.443  3.4495 1.269676       4.198330 
1 1 1 0  16 46 o 22.903  5.2017 5.7758   1.9344  19.732  7.0920 26.073  7.6113 -6.341425      10.40331 
1 1 1 0  16 48 o 16.708  4.8472 0.8389   2.0157  18.976  6.9499 14.440  6.7587 4.535791       9.694409 
1 1 1 0  16 50 o 55.475  2.7484 32.742   2.0587  57.365  3.1166 53.585  4.5280 3.779671       5.496872 
1 1 1 0  16 52 o 18.715  4.9310 4.1984   1.8057  20.368  6.8695 17.062  7.0760 3.306614       9.862054 
1 1 1 0  17 1  o 369.223 2.6047 1363.38  13.595  370.726 3.7374 367.720 3.6290 3.005890       5.209435 
1 1 1 0  17 3  o 437.214 2.9740 1912.07  18.388  435.126 4.1968 439.301 4.2150 -4.174805      5.948043 
1 1 1 0  17 5  o 379.596 2.7105 1440.40  14.459  381.439 4.0677 377.753 3.5834 3.686432       5.420928 
1 1 1 0  17 7  f 396.319 2.7291 1570.95  15.281  397.339 3.9531 395.299 3.7635 2.039612       5.458126 
1 1 1 0  17 9  o 415.894 2.8344 1727.93  16.610  421.619 4.1798 410.169 3.8294 11.45016       5.668790 
1 1 1 0  17 11 o 395.012 2.6153 1560.38  14.539  396.360 3.8984 393.664 3.4872 2.696075       5.230521 
1 1 1 0  17 13 o 91.806  1.4259 84.203   1.8495  94.066  2.0363 89.546  1.9965 4.519821       2.851811 
1 1 1 0  17 15 o 471.744 3.0296 2227.29  20.207  469.224 4.3408 474.264 4.2274 -5.040375      6.059194 
1 1 1 0  17 17 o 343.293 2.3987 1177.61  11.542  346.188 3.6334 340.398 3.1325 5.789673       4.797351 
1 1 1 0  17 19 o 78.768  1.5495 61.983   1.6192  78.529  1.7075 79.007  2.5861 -0.4772949     3.098948 
1 1 1 0  17 21 o 102.835 1.5734 106.222  2.1454  103.867 1.7213 101.803 2.6342 2.063988       3.146733 
1 1 1 0  17 23 o 167.282 1.6207 279.847  3.8214  166.465 2.1863 168.098 2.3930 -1.632568      3.241366 
1 1 1 0  17 25 o 257.728 2.1646 665.319  7.6965  258.440 2.6436 257.017 3.4283 1.423553       4.329177 
1 1 1 0  17 27 o 74.833  2.1035 54.494   1.9437  71.362  2.0579 78.305  3.6693 -6.943535      4.207019 
1 1 1 0  17 29 o 60.549  1.6810 36.749   1.4359  61.868  2.2705 59.229  2.4794 2.638897       3.361960 
1 1 1 0  17 31 o 114.228 1.6043 130.417  2.5666  113.121 2.0884 115.335 2.4359 -2.213951      3.208605 
1 1 1 0  17 33 o 158.774 1.9755 249.591  4.1498  154.398 2.1918 163.150 3.2874 -8.752060      3.951078 
1 1 1 0  17 35 o 33.767  3.7148 11.787   1.6866  27.889  5.9046 39.646  4.5095 -11.75712      7.429610 
1 1 1 0  17 37 o 31.227  4.5489 10.746   1.6882  34.720  3.6780 27.733  8.3211 6.986694       9.097762 
1 1 1 0  17 39 o 34.177  3.4441 11.739   1.6208  32.948  4.2634 35.405  5.4103 -2.456760      6.888183 
1 1 1 0  17 41 f 56.747  2.2375 32.550   1.7787  57.402  2.8921 56.091  3.4150 1.311260       4.475074 
1 1 1 0  17 43 o 49.876  2.6913 25.558   1.7966  51.245  2.9904 48.508  4.4754 2.736713       5.382500 
1 1 1 0  17 45 o 39.623  3.1422 16.360   1.7507  40.034  4.1468 39.212  4.7222 0.8214455      6.284489 
1 1 1 0  17 47 o 22.675  5.1930 5.6912   1.8112  18.798  6.4592 26.552  8.1330 -7.753819      10.38593 
1 1 1 0  17 49 o 40.220  3.6856 17.774   1.9714  41.084  4.0407 39.356  6.1651 1.728313       7.371258 
1 1 1 0  17 51 f 19.541  4.5297 4.0468   1.7966  24.696  6.2072 14.385  6.5989 10.31195       9.059477 
1 1 1 0  18 0  o 73.198  2.4485 53.762   3.5756  73.198  2.4485 ?       ?      0.000000       0.000000 
1 1 1 0  18 2  o 190.468 1.6833 362.557  4.5253  188.575 2.3024 192.361 2.4563 -3.786118      3.366679 
1 1 1 0  18 4  o 448.020 3.1491 2007.56  19.945  451.942 4.5068 444.098 4.3995 7.844177       6.298214 
1 1 1 0  18 6  o 364.601 2.5385 1329.67  13.088  361.642 3.5841 367.559 3.5959 -5.916779      5.077033 
1 1 1 0  18 8  o 378.760 2.6976 1435.99  14.407  376.452 3.9859 381.068 3.6360 -4.615845      5.395130 
1 1 1 0  18 10 o 467.766 3.1283 2189.18  20.668  468.869 4.5484 466.663 4.2963 2.205994       6.256664 
1 1 1 0  18 12 o 406.906 2.7310 1654.29  15.649  412.197 4.0430 401.616 3.6725 10.58041       5.461961 
1 1 1 0  18 14 o 310.890 2.2220 966.913  9.7687  308.375 3.1472 313.405 3.1375 -5.029999      4.443950 
1 1 1 0  18 16 o 188.294 1.6875 355.611  4.4467  185.102 2.5871 191.485 2.1674 -6.383072      3.375022 
1 1 1 0  18 18 o 315.142 2.2786 993.609  10.142  316.260 3.3110 314.024 3.1313 2.235474       4.557175 
1 1 1 0  18 20 o 226.741 1.9747 515.028  6.0249  227.484 2.2455 225.998 3.2491 1.485611       3.949479 
1 1 1 0  18 22 o 132.252 1.5396 175.193  2.8676  133.776 2.0524 130.728 2.2956 3.047302       3.079269 
1 1 1 0  18 24 o 245.346 2.0135 603.752  6.9386  249.547 2.6354 241.145 3.0450 8.402267       4.027071 
1 1 1 0  18 26 o 198.072 1.8494 392.431  5.0525  197.611 2.2618 198.533 2.9267 -0.9213104     3.698789 
1 1 1 0  18 28 o 114.631 1.6155 131.414  2.6116  113.577 2.1925 115.684 2.3733 -2.106567      3.231051 
1 1 1 0  18 30 o 84.395  1.6648 71.432   1.9711  83.367  2.5275 85.423  2.1676 -2.055725      3.329670 
1 1 1 0  18 32 o 102.377 1.5008 104.587  2.1540  100.266 1.9741 104.487 2.2610 -4.221191      3.001550 
1 1 1 0  18 34 o 79.772  1.6977 63.716   1.9134  78.457  2.3601 81.087  2.4410 -2.630226      3.395388 
1 1 1 0  18 36 o 64.379  2.1413 41.779   1.8623  65.119  2.4513 63.640  3.5116 1.478107       4.282517 
1 1 1 0  18 38 o 80.327  2.0094 65.622   2.0987  82.550  2.0884 78.103  3.4336 4.446823       4.018785 
1 1 1 0  18 40 o 21.625  4.7955 4.7348   1.6503  18.822  6.5855 24.427  6.9727 -5.604958      9.591027 
1 1 1 0  18 42 o 65.231  2.6052 42.959   2.2520  64.288  2.8803 66.174  4.3420 -1.886490      5.210428 
1 1 1 0  18 44 o 33.102  4.5682 12.020   1.9155  33.769  4.5379 32.436  7.9297 1.333157       9.136354 
1 1 1 0  18 46 o 16.049  4.7423 1.1672   1.8192  17.078  6.8583 15.020  6.5515 2.058175       9.484644 
1 1 1 0  18 48 o 21.315  5.5014 5.0101   2.1727  22.399  6.9652 20.232  8.5175 2.167145       11.00285 
1 1 1 0  18 50 o 15.073  4.6834 -0.1982  2.0585  16.434  6.6797 13.713  6.5665 2.720538       9.366831 
1 1 1 0  19 1  o 203.242 1.8661 413.176  5.3634  204.389 2.6241 202.095 2.6539 2.293350       3.732205 
1 1 1 0  19 3  o 538.964 3.5780 2906.62  27.239  540.846 5.1945 537.081 4.9218 3.764099       7.155902 
1 1 1 0  19 5  o 326.451 2.3789 1066.14  10.982  327.283 3.3361 325.619 3.3923 1.663940       4.757879 
1 1 1 0  19 7  o 48.268  2.3372 23.617   1.5480  45.752  3.7680 50.783  2.7661 -5.030334      4.674337 
1 1 1 0  19 9  o 158.177 1.5132 249.889  3.3732  160.436 2.2287 155.918 2.0476 4.518005       3.026478 
1 1 1 0  19 11 o 439.389 3.0270 1932.46  18.800  437.298 4.3657 441.480 4.1942 -4.181061      6.054017 
1 1 1 0  19 13 o 292.581 2.2068 856.490  9.1306  290.617 3.1418 294.545 3.0999 -3.928162      4.413655 
1 1 1 0  19 15 o 384.708 2.6290 1481.20  14.302  380.909 3.7381 388.508 3.6978 -7.598785      5.258054 
1 1 1 0  19 17 o 270.851 2.1030 734.405  8.0325  269.371 3.1052 272.331 2.8370 -2.960388      4.205993 
1 1 1 0  19 19 o 253.541 1.9776 643.455  7.0851  251.763 2.8658 255.320 2.7259 -3.556976      3.955175 
1 1 1 0  19 21 o 14.473  4.3134 0.1490   1.4898  14.342  5.7810 14.604  6.4033 -0.2624960     8.626802 
1 1 1 0  19 23 o 115.902 1.5881 134.469  2.5540  116.157 1.9789 115.647 2.4845 0.5093613      3.176287 
1 1 1 0  19 25 o 233.632 2.0275 545.266  6.5916  231.268 2.5676 235.995 3.1385 -4.726578      4.054963 
1 1 1 0  19 27 o 184.832 1.8730 340.820  4.7317  182.658 2.2372 187.007 3.0046 -4.349457      3.746039 
1 1 1 0  19 29 o 22.265  4.1854 5.1719   1.3409  21.879  5.9657 22.651  5.8721 -0.7720051     8.370865 
1 1 1 0  19 31 o 38.581  2.9228 14.857   1.5860  40.968  4.2081 36.194  4.0574 4.773499       5.845570 
1 1 1 0  19 33 o 90.105  1.6285 81.338   2.0746  90.386  2.3312 89.824  2.2747 0.5615768      3.257088 
1 1 1 0  19 35 o 58.576  2.2764 34.473   1.8787  58.482  3.0570 58.671  3.3737 -0.1890564     4.552707 
1 1 1 0  19 37 o 59.541  2.4958 36.355   2.0113  63.183  2.8296 55.900  4.1120 7.282310       4.991502 
1 1 1 0  19 39 f 54.629  2.4017 30.019   1.8318  53.630  3.0955 55.627  3.6730 -1.997227      4.803471 
1 1 1 0  19 41 o 41.434  3.0604 17.563   1.7787  41.578  3.9927 41.290  4.6392 0.2881584      6.120774 
1 1 1 0  19 43 o 36.989  4.4262 15.289   1.9503  39.687  3.8612 34.290  7.9659 5.396591       8.852343 
1 1 1 0  19 45 o 17.560  4.8914 2.4560   1.7308  16.489  6.3280 18.631  7.4606 -2.141912      9.782890 
1 1 1 0  19 47 o 27.544  4.5211 8.9596   1.7673  31.456  5.0746 23.633  7.4838 7.822811       9.042104 
1 1 1 0  19 49 o 13.965  4.5112 -0.6197  1.8590  12.254  5.5903 15.676  7.0817 -3.421574      9.022322 
1 1 1 0  20 0  o 376.397 3.6479 1417.48  27.456  376.397 3.6479 ?       ?      0.000000       0.000000 
1 1 1 0  20 2  o 290.269 2.2010 842.610  9.0293  292.213 3.1683 288.324 3.0561 3.888489       4.402034 
1 1 1 0  20 4  o 134.355 1.4788 180.366  2.8036  132.692 2.0210 136.017 2.1594 -3.324692      2.957594 
1 1 1 0  20 6  o 196.129 1.6344 384.360  4.5253  193.315 2.2460 198.943 2.3750 -5.628571      3.268821 
1 1 1 0  20 8  o 432.153 2.9887 1869.36  18.260  428.738 4.2891 435.569 4.1632 -6.830841      5.977320 
1 1 1 0  20 10 o 524.611 3.5123 2755.59  26.038  524.341 5.0779 524.880 4.8537 -0.5394287     7.024538 
1 1 1 0  20 12 o 175.992 1.6297 309.924  4.0543  173.906 2.3498 178.079 2.2589 -4.173050      3.259462 
1 1 1 0  20 14 o 232.614 1.8848 541.674  6.1876  230.621 2.7686 234.608 2.5583 -3.986847      3.769636 
1 1 1 0  20 16 o 201.908 1.7135 407.464  4.8593  203.324 2.5751 200.492 2.2611 2.832809       3.426905 
1 1 1 0  20 18 o 78.041  1.7188 61.517   1.7966  76.029  2.8554 80.052  1.9143 -4.023415      3.437679 
1 1 1 0  20 20 o 141.507 1.9001 199.664  3.7666  138.358 2.4920 144.656 2.8691 -6.297852      3.800225 
1 1 1 0  20 22 o 230.074 1.9286 530.917  6.1532  232.287 2.3914 227.861 3.0263 4.425766       3.857162 
1 1 1 0  20 24 o 142.400 1.5721 202.994  3.1525  142.943 2.0994 141.857 2.3405 1.085815       3.144157 
1 1 1 0  20 26 o 92.141  1.9586 84.491   2.4312  90.572  2.2559 93.710  3.2024 -3.138008      3.917207 
1 1 1 0  20 28 o 69.036  2.2242 48.191   2.1156  66.477  3.5538 71.594  2.6755 -5.116638      4.448356 
1 1 1 0  20 30 o 126.452 1.6097 159.762  2.8506  124.800 2.0976 128.104 2.4423 -3.303528      3.219459 
1 1 1 0  20 32 o 129.495 1.5533 168.132  2.8410  132.161 2.1258 126.830 2.2654 5.330238       3.106621 
1 1 1 0  20 34 o 108.344 1.6043 117.651  2.4578  107.434 2.2584 109.254 2.2792 -1.820114      3.208651 
1 1 1 0  20 36 o 56.568  2.2363 32.108   1.7787  57.449  3.3343 55.687  2.9812 1.762337       4.472678 
1 1 1 0  20 38 o 27.213  4.7827 7.9813   1.8517  29.925  6.3769 24.501  7.1296 5.424164       9.565361 
1 1 1 0  20 40 o 59.951  2.3064 36.416   1.9344  60.226  2.9685 59.677  3.5308 0.5488510      4.612858 
1 1 1 0  20 42 o 24.985  5.6976 6.6937   2.0840  22.006  6.6743 27.963  9.2361 -5.957596      11.39521 
1 1 1 0  20 44 o 14.380  4.6603 -1.7649  2.0318  13.307  5.9778 15.453  7.1512 -2.146697      9.320599 
1 1 1 0  20 46 o 18.552  5.3306 2.6410   2.1802  16.278  6.9285 20.825  8.1028 -4.547260      10.66116 
1 1 1 0  20 48 o 18.367  5.1191 2.8409   2.1469  20.863  7.2448 15.872  7.2342 4.991535       10.23822 
1 1 1 0  20 50 o 18.007  5.2259 3.5928   2.1347  18.322  7.3425 17.693  7.4383 0.6283588      10.45188 
1 1 1 0  21 1  o 278.875 2.1704 777.613  8.5388  277.003 2.9505 280.747 3.1840 -3.744202      4.340880 
1 1 1 0  21 3  f 230.568 1.9098 531.898  6.2239  229.334 2.7563 231.801 2.6444 -2.467087      3.819680 
1 1 1 0  21 5  o 373.229 2.6516 1393.42  13.948  374.722 3.9191 371.737 3.5727 2.985138       5.303116 
1 1 1 0  21 7  o 125.887 1.3510 158.851  2.3837  124.035 2.0591 127.740 1.7495 -3.705734      2.701959 
1 1 1 0  21 9  o 258.520 2.0346 668.649  7.4384  258.223 2.8930 258.817 2.8617 -0.5937805     4.069297 
1 1 1 0  21 11 o 226.041 1.8577 511.088  5.9353  227.056 2.6715 225.027 2.5821 2.029404       3.715385 
1 1 1 0  21 13 o 66.590  1.7153 44.568   1.5733  65.388  2.7342 67.792  2.0721 -2.404076      3.430630 
1 1 1 0  21 15 o 51.488  1.9535 26.736   1.3931  49.625  3.0880 53.351  2.3936 -3.726334      3.907058 
1 1 1 0  21 17 o 114.626 1.6636 131.664  2.5633  114.141 2.7411 115.111 1.8859 -0.9698715     3.327189 
1 1 1 0  21 19 o 133.646 1.6576 178.803  3.1235  132.854 2.4511 134.437 2.2322 -1.582672      3.315230 
1 1 1 0  21 21 o 188.512 1.7399 355.327  4.6025  187.405 2.2827 189.620 2.6265 -2.214233      3.479848 
1 1 1 0  21 23 o 154.700 1.6365 239.472  3.5654  154.521 2.1900 154.880 2.4323 -0.3589172     3.272998 
1 1 1 0  21 25 o 65.510  1.7920 42.971   1.6601  65.169  2.5474 65.851  2.5210 -0.6822662     3.583943 
1 1 1 0  21 27 o 41.132  3.0681 17.360   1.6861  43.715  3.3594 38.548  5.1348 5.167355       6.136108 
1 1 1 0  21 29 o 97.275  1.6254 94.769   2.2329  97.541  2.2256 97.008  2.3695 0.5327225      3.250853 
1 1 1 0  21 31 o 21.457  4.5059 4.4019   1.6276  16.400  6.5993 26.515  6.1368 -10.11530      9.011702 
1 1 1 0  21 33 o 32.957  3.9149 11.119   1.7787  30.242  5.6983 35.672  5.3698 -5.430695      7.829729 
1 1 1 0  21 35 o 60.002  2.2712 36.369   1.9134  62.567  2.9595 57.437  3.4461 5.129860       4.542492 
1 1 1 0  21 37 o 44.388  2.9539 19.886   1.8318  45.404  4.5001 43.372  3.8276 2.032299       5.907727 
1 1 1 0  21 39 o 37.861  3.5164 14.829   1.8164  38.766  4.1177 36.957  5.7014 1.808350       7.032857 
1 1 1 0  21 41 o 19.585  4.9682 3.7398   1.7513  20.158  6.6000 19.013  7.4278 1.145317       9.936423 
1 1 1 0  21 43 o 19.832  5.5855 3.2270   2.2227  18.223  6.9853 21.441  8.7175 -3.217703      11.17092 
1 1 1 0  21 45 o 29.751  5.4051 10.397   2.3003  23.197  7.4979 36.305  7.7872 -13.10858      10.81015 
1 1 1 0  21 47 o 31.160  4.9498 11.970   2.1385  27.996  7.5719 34.325  6.3773 -6.328705      9.899659 
1 1 1 0  21 49 o 17.511  4.9223 2.3898   2.0870  20.114  6.8695 14.908  7.0515 5.205415       9.844510 
1 1 1 0  22 0  o 310.415 3.4978 964.269  21.709  310.415 3.4978 ?       ?      0.000000       0.000000 
1 1 1 0  22 2  o 509.877 3.3649 2603.05  24.263  509.988 4.7701 509.766 4.7471 0.2220154      6.729733 
1 1 1 0  22 4  o 354.694 2.6413 1259.00  13.247  356.221 3.7641 353.168 3.7063 3.053284       5.282519 
1 1 1 0  22 6  o 320.176 2.3058 1025.88  10.439  319.237 3.3002 321.116 3.2212 -1.878510      4.611632 
1 1 1 0  22 8  o 252.723 2.0907 638.999  7.4656  253.338 3.0244 252.108 2.8872 1.230164       4.181308 
1 1 1 0  22 10 o 117.475 1.3880 138.002  2.2827  117.689 2.1159 117.260 1.7969 0.4290848      2.775939 
1 1 1 0  22 12 o 154.911 1.5744 240.111  3.4467  154.333 2.2755 155.489 2.1764 -1.156479      3.148722 
1 1 1 0  22 14 o 270.158 2.0889 729.699  7.8692  271.635 3.2203 268.680 2.6616 2.954498       4.177879 
1 1 1 0  22 16 o 230.528 1.9420 529.854  6.2567  235.260 2.9583 225.796 2.5167 9.464676       3.884005 
1 1 1 0  22 18 o 154.486 1.6103 238.587  3.4932  155.430 2.4237 153.541 2.1208 1.888718       3.220616 
1 1 1 0  22 20 o 137.145 1.7790 187.836  3.4290  134.895 2.3667 139.394 2.6567 -4.499130      3.557991 
1 1 1 0  22 22 o 66.584  1.8664 44.034   1.7274  64.196  2.3871 68.972  2.8698 -4.776497      3.732814 
1 1 1 0  22 24 o 76.997  1.9715 59.429   2.1271  77.421  2.5566 76.574  3.0018 0.8472519      3.943016 
1 1 1 0  22 26 o 76.321  2.0462 58.191   2.1802  75.247  2.6305 77.396  3.1349 -2.149231      4.092365 
1 1 1 0  22 28 o 24.422  4.4872 6.2521   1.5637  23.937  6.3112 24.907  6.3804 -0.9699936     8.974470 
1 1 1 0  22 30 f 69.336  1.7907 48.173   1.7553  70.668  2.5299 68.004  2.5351 2.664566       3.581474 
1 1 1 0  22 32 o 147.755 1.6515 218.922  3.4432  148.158 2.2410 147.352 2.4266 0.8059845      3.303088 
1 1 1 0  22 34 o 28.243  4.7074 8.4701   1.8429  27.746  6.3480 28.739  6.9529 -0.9931583     9.414865 
1 1 1 0  22 36 o 46.614  2.9583 22.032   1.9427  46.514  4.3927 46.714  3.9638 -0.1999931     5.916690 
1 1 1 0  22 38 o 22.773  5.2382 5.3087   1.9986  20.390  7.7318 25.155  7.0693 -4.765358      10.47642 
1 1 1 0  22 40 o 22.154  5.4255 5.1670   2.0511  20.975  7.2486 23.333  8.0749 -2.357500      10.85110 
1 1 1 0  22 42 o 19.774  4.9510 3.8646   1.8147  17.254  7.0316 22.295  6.9717 -5.041363      9.901933 
1 1 1 0  22 44 f 16.543  5.0599 0.6441   2.1913  16.943  7.1172 16.142  7.1942 0.8008289      10.11980 
1 1 1 0  22 46 o 14.848  4.5325 0.5549   1.7553  13.641  6.1107 16.056  6.6959 -2.414524      9.065084 
1 1 1 0  22 48 o 14.300  4.6481 -1.2332  2.1004  11.406  5.4930 17.194  7.4997 -5.787860      9.296140 
1 1 1 0  23 1  o 488.438 3.3101 2389.86  22.854  486.087 4.7682 490.788 4.5925 -4.701416      6.620163 
1 1 1 0  23 3  o 230.931 1.9551 533.598  6.3850  231.581 2.7572 230.282 2.7727 1.299500       3.910219 
1 1 1 0  23 5  o 335.245 2.4333 1125.06  11.505  334.737 3.5861 335.753 3.2900 -1.015686      4.866587 
1 1 1 0  23 7  o 287.443 2.4663 827.002  10.021  286.971 3.4265 287.916 3.5483 -0.9443359     4.932646 
1 1 1 0  23 9  o 219.604 1.9884 481.774  6.1138  217.364 2.5850 221.844 3.0221 -4.479782      3.976832 
1 1 1 0  23 11 o 228.072 2.3211 522.516  7.2988  231.167 2.8173 224.978 3.6895 6.189621       4.642174 
1 1 1 0  23 13 o 146.920 1.8186 215.664  3.6367  147.621 2.9412 146.219 2.1397 1.402573       3.637177 
1 1 1 0  23 15 o 115.400 1.6043 133.256  2.6179  114.210 2.2921 116.589 2.2454 -2.379181      3.208684 
1 1 1 0  23 17 o 50.935  2.4664 26.077   1.7274  50.236  3.9401 51.634  2.9678 -1.397873      4.932815 
1 1 1 0  23 19 o 65.222  2.0561 42.581   1.8571  65.262  3.2286 65.182  2.5469 0.8009338E-01  4.112278 
1 1 1 0  23 21 o 197.183 1.7799 389.752  4.9317  195.178 2.6825 199.187 2.3400 -4.009018      3.559754 
1 1 1 0  23 23 o 153.297 1.7095 234.107  3.6637  148.985 2.2286 157.609 2.5928 -8.624039      3.418910 
1 1 1 0  23 25 f 134.860 1.8634 181.295  3.3957  133.119 2.1584 136.601 3.0382 -3.482285      3.726896 
1 1 1 0  23 27 o 133.409 1.7965 178.462  3.3793  132.131 2.6578 134.686 2.4177 -2.555786      3.592965 
1 1 1 0  23 29 o 59.829  2.3470 35.985   1.9711  60.325  3.0695 59.333  3.5513 0.9927597      4.693947 
1 1 1 0  23 31 o 41.391  3.1401 17.387   1.8057  42.581  3.8987 40.201  4.9236 2.379871       6.280260 
1 1 1 0  23 33 f 99.096  1.6627 98.235   2.3196  101.652 2.4497 96.541  2.2487 5.110741       3.325311 
1 1 1 0  23 35 o 49.282  3.2520 23.734   2.0140  52.589  5.5851 45.975  3.3331 6.613426       6.504078 
1 1 1 0  23 37 o 15.808  4.8551 -0.7348  2.0746  13.809  6.3626 17.806  7.3353 -3.996730      9.710271 
1 1 1 0  23 39 o 20.741  5.0267 4.4878   1.7855  20.025  7.2155 21.457  7.0004 -1.431919      10.05331 
1 1 1 0  23 41 o 33.360  4.4158 12.484   2.0067  36.830  5.2009 29.889  7.1376 6.941145       8.831502 
1 1 1 0  23 43 o 16.116  4.7913 1.2418   1.8429  15.167  6.4612 17.065  7.0766 -1.897709      9.582562 
1 1 1 0  23 45 o 18.877  5.4948 3.0959   2.2779  17.572  7.0814 20.182  8.4039 -2.610029      10.98961 
1 1 1 0  23 47 o 23.388  5.3464 7.3628   1.9714  23.115  6.7587 23.661  8.2858 -0.5458584     10.69271 
1 1 1 0  24 0  o 168.990 2.2679 285.795  7.6621  168.990 2.2679 ?       ?      0.000000       0.000000 
1 1 1 0  24 2  o 193.486 1.8092 374.348  4.9383  191.990 2.4610 194.982 2.6525 -2.992783      3.618342 
1 1 1 0  24 4  o 37.359  2.7790 13.958   1.4658  38.126  4.0193 36.593  3.8388 1.533485       5.557993 
1 1 1 0  24 6  o 230.851 2.0782 533.826  6.7465  229.236 3.1196 232.466 2.7467 -3.230865      4.156448 
1 1 1 0  24 8  o 278.989 2.5004 778.643  9.8474  282.566 3.6381 275.411 3.4312 7.155823       5.000851 
1 1 1 0  24 10 o 432.944 3.6090 1883.61  21.227  429.723 5.8691 436.165 4.2014 -6.442657      7.217919 
1 1 1 0  24 12 o 273.555 2.4998 750.445  9.6144  269.977 3.7604 277.133 3.2947 -7.156097      4.999544 
1 1 1 0  24 14 o 138.178 1.7645 191.939  3.2865  136.383 2.9027 139.974 2.0071 -3.591476      3.529011 
1 1 1 0  24 16 f 47.632  2.5273 21.883   1.5565  51.228  4.2377 44.035  2.7550 7.193123       5.054543 
1 1 1 0  24 18 o 93.263  1.7889 87.470   2.2951  91.609  2.8577 94.917  2.1526 -3.308304      3.577714 
1 1 1 0  24 20 o 88.899  2.0747 79.605   2.3762  87.859  3.5610 89.938  2.1298 -2.079590      4.149328 
1 1 1 0  24 22 f 135.348 1.7349 183.312  3.3153  134.105 2.3806 136.592 2.5243 -2.486893      3.469759 
1 1 1 0  24 24 o 91.322  1.6377 83.656   2.0993  90.056  2.4815 92.587  2.1378 -2.530762      3.275405 
1 1 1 0  24 26 o 100.051 2.0081 100.356  2.8410  99.288  2.8296 100.813 2.8501 -1.525673      4.016148 
1 1 1 0  24 28 o 22.691  5.1357 3.5590   2.3384  16.741  7.7124 28.642  6.7837 -11.90114      10.27134 
1 1 1 0  24 30 o 46.898  2.8921 21.858   1.8623  44.644  3.5755 49.152  4.5466 -4.508095      5.784138 
1 1 1 0  24 32 o 20.133  4.8666 3.7515   1.6866  22.586  7.1070 17.680  6.6501 4.905193       9.733148 
1 1 1 0  24 34 o 21.055  4.7033 3.5667   1.8057  14.191  6.1965 27.919  7.0772 -13.72829      9.406502 
1 1 1 0  24 36 o 39.106  3.9652 15.437   2.1246  35.383  5.0528 42.830  6.1123 -7.446941      7.930344 
1 1 1 0  24 38 o 33.874  4.2628 12.515   1.9794  30.584  6.6574 37.164  5.3260 -6.580431      8.525654 
1 1 1 0  24 40 o 25.384  5.5182 7.1513   2.2702  19.592  7.4799 31.175  8.1148 -11.58271      11.03630 
1 1 1 0  24 42 o 41.914  3.6194 18.710   2.0123  41.492  4.0010 42.336  6.0327 -0.8445549     7.238880 
1 1 1 0  24 44 o 17.785  5.1432 2.2711   2.0157  14.392  6.2993 21.178  8.1320 -6.785481      10.28640 
1 1 1 0  24 46 o 15.944  4.9863 0.8795   2.2447  16.367  7.0051 15.521  7.0980 0.8462105      9.972589 
1 1 1 0  25 1  f 86.591  1.9541 74.610   2.3735  83.243  2.6079 89.940  2.9107 -6.697449      3.908123 
1 1 1 0  25 3  o 251.504 2.4695 633.409  8.7737  250.900 3.5883 252.109 3.3938 -1.209122      4.938944 
1 1 1 0  25 5  o 165.711 1.8622 274.286  4.2817  167.046 2.9050 164.376 2.3306 2.670135       3.724347 
1 1 1 0  25 7  o 110.485 1.7196 122.356  2.5848  109.868 2.7896 111.102 2.0115 -1.233871      3.439123 
1 1 1 0  25 9  o 175.473 1.8657 308.143  4.6289  178.074 2.6175 172.872 2.6593 5.201630       3.731399 
1 1 1 0  25 11 o 188.504 1.8872 355.753  4.9779  188.152 2.8845 188.856 2.4343 -0.7044067     3.774401 
1 1 1 0  25 13 o 255.326 2.1601 653.018  7.7767  254.000 3.1925 256.652 2.9108 -2.651794      4.320266 
1 1 1 0  25 15 o 57.945  2.3520 34.035   1.7438  56.547  4.0650 59.344  2.3671 -2.796535      4.703934 
1 1 1 0  25 17 o 216.719 1.9041 470.547  5.7655  216.104 2.9251 217.335 2.4384 -1.230530      3.808159 
1 1 1 0  25 19 o 74.372  2.3219 54.147   2.2902  78.496  3.8231 70.248  2.6359 8.248100       4.643713 
1 1 1 0  25 21 o 150.810 1.8613 227.528  3.8331  151.265 2.9970 150.355 2.2083 0.9104614      3.722675 
1 1 1 0  25 23 o 267.658 2.3195 718.429  8.7784  267.936 3.3124 267.380 3.2477 0.5559692      4.638930 
1 1 1 0  25 25 o 50.285  2.9138 25.662   2.0253  52.281  3.5417 48.289  4.6279 3.991840       5.827605 
1 1 1 0  25 27 o 20.637  5.0666 3.9072   1.8192  21.643  7.1288 19.632  7.2015 2.011192       10.13320 
1 1 1 0  25 29 o 85.571  2.1091 73.222   2.5397  82.501  2.8636 88.642  3.0974 -6.140717      4.218271 
1 1 1 0  25 31 o 49.930  2.5319 25.134   1.7855  50.553  3.6628 49.306  3.4964 1.246861       5.063734 
1 1 1 0  25 33 o 45.615  3.1169 21.119   2.0067  43.833  4.3700 47.397  4.4455 -3.564556      6.233787 
1 1 1 0  25 35 o 60.453  2.2783 36.876   1.9344  58.931  3.0337 61.975  3.3999 -3.043568      4.556585 
1 1 1 0  25 37 o 67.349  2.3581 46.483   2.2348  63.462  3.5214 71.236  3.1371 -7.773987      4.716109 
1 1 1 0  25 39 o 19.709  5.2670 3.6993   2.0108  20.109  7.5316 19.308  7.3648 0.8017426      10.53405 
1 1 1 0  25 41 o 35.194  5.2324 15.140   2.4312  40.527  5.0416 29.862  9.1704 10.66479       10.46488 
1 1 1 0  25 43 o 19.104  4.9701 3.8982   1.8147  17.426  7.0571 20.781  7.0004 -3.355333      9.940188 
1 1 1 0  25 45 o 16.367  4.9490 1.8177   2.0412  15.172  6.6915 17.563  7.2933 -2.391023      9.897954 
1 1 1 0  26 0  o 168.549 3.0708 284.518  10.344  168.549 3.0708 ?       ?      0.000000       0.000000 
1 1 1 0  26 2  o 306.386 2.6964 939.127  11.662  311.554 3.9144 301.219 3.7095 10.33484       5.392879 
1 1 1 0  26 4  o 353.751 2.6995 1253.46  13.504  350.200 3.8288 357.303 3.8063 -7.103058      5.398908 
1 1 1 0  26 6  o 171.147 2.1478 294.504  5.0684  168.215 3.4162 174.079 2.6042 -5.864822      4.295611 
1 1 1 0  26 8  o 132.182 1.8589 175.163  3.4054  131.227 2.9194 133.137 2.3020 -1.910004      3.717812 
1 1 1 0  26 10 o 96.034  1.8287 92.626   2.4247  94.695  2.8994 97.374  2.2295 -2.679596      3.657452 
1 1 1 0  26 12 o 117.286 1.6190 136.816  2.6437  120.759 2.4851 113.813 2.0758 6.946495       3.237966 
1 1 1 0  26 14 o 110.196 1.7352 121.723  2.6437  109.602 2.7381 110.790 2.1324 -1.187943      3.470458 
1 1 1 0  26 16 o 119.362 1.7439 142.102  2.9024  121.673 2.6763 117.051 2.2365 4.621490       3.487812 
1 1 1 0  26 18 o 293.946 2.4645 866.941  10.176  292.043 3.7168 295.849 3.2373 -3.806793      4.928958 
1 1 1 0  26 20 o 212.294 1.9364 449.840  5.6682  215.162 3.0566 209.426 2.3781 5.735138       3.872724 
1 1 1 0  26 22 o 89.696  1.9319 80.431   2.3658  88.980  2.2963 90.412  3.1074 -1.431465      3.863750 
1 1 1 0  26 24 o 24.637  4.9701 6.1879   1.7520  22.648  6.2733 26.627  7.7107 -3.978453      9.940231 
1 1 1 0  26 26 o 95.497  2.0669 91.522   2.7478  95.658  3.2039 95.335  2.6120 0.3229828      4.133729 
1 1 1 0  26 28 f 85.961  2.1260 73.940   2.5761  81.787  2.9666 90.135  3.0461 -8.347893      4.251981 
1 1 1 0  26 30 o 57.466  2.3557 33.698   1.8787  53.332  3.7114 61.600  2.9023 -8.268551      4.711445 
1 1 1 0  26 32 o 36.187  3.9581 13.723   1.9218  37.278  4.6246 35.096  6.4249 2.181652       7.916195 
1 1 1 0  26 34 o 18.749  4.7534 3.1700   1.6276  20.613  6.8695 16.886  6.5718 3.726604       9.506763 
1 1 1 0  26 36 o 52.153  2.9382 28.376   2.1347  55.536  3.6791 48.769  4.5823 6.766853       5.876491 
1 1 1 0  26 38 o 11.409  3.8955 -5.4401  1.9070  11.753  5.5902 11.064  5.4267 0.6881256      7.790950 
1 1 1 0  26 40 o 21.897  5.4530 5.2700   2.1271  24.933  8.0820 18.862  7.3227 6.070814       10.90604 
1 1 1 0  26 42 o 15.535  4.7198 0.1642   1.9986  17.610  7.0147 13.460  6.3167 4.149281       9.439635 
1 1 1 0  26 44 o 15.775  4.7081 0.6535   1.9831  17.436  6.5241 14.115  6.7899 3.320502       9.416264 
1 1 1 0  27 1  o 157.874 1.9017 249.283  4.2401  159.930 2.7547 155.817 2.6226 4.113647       3.803499 
1 1 1 0  27 3  o 106.316 1.7228 112.878  2.5666  107.750 2.6074 104.882 2.2525 2.867882       3.445591 
1 1 1 0  27 5  f 148.249 1.7447 219.850  3.5991  148.602 2.7070 147.896 2.2018 0.7059174      3.489349 
1 1 1 0  27 7  o 98.848  1.8076 97.911   2.5185  97.617  2.6818 100.079 2.4244 -2.461807      3.615190 
1 1 1 0  27 9  o 69.282  1.9945 48.164   1.9427  68.033  3.0033 70.530  2.6253 -2.497459      3.988995 
1 1 1 0  27 11 o 79.796  2.1181 63.693   2.3003  80.134  3.4262 79.458  2.4911 0.6759186      4.236103 
1 1 1 0  27 13 o 119.734 1.8382 144.261  2.9996  117.818 2.9807 121.651 2.1519 -3.833763      3.676324 
1 1 1 0  27 15 o 153.603 1.8813 236.181  4.0824  152.259 2.6000 154.947 2.7197 -2.687592      3.762560 
1 1 1 0  27 17 o 60.955  2.0967 37.252   1.7513  60.782  3.3615 61.128  2.5069 -0.3460770     4.193380 
1 1 1 0  27 19 o 65.016  2.2977 42.548   2.0157  64.298  3.7736 65.734  2.6226 -1.436188      4.595442 
1 1 1 0  27 21 o 63.071  2.2272 39.517   1.9279  65.263  3.5221 60.880  2.7269 4.383335       4.454316 
1 1 1 0  27 23 o 63.459  3.1569 40.288   2.5317  62.689  3.1574 64.228  5.4676 -1.539425      6.313833 
1 1 1 0  27 25 o 62.405  2.3245 39.122   2.0253  62.280  2.9731 62.529  3.5740 -0.2483406     4.648942 
1 1 1 0  27 27 o 43.322  3.4972 19.041   2.1385  44.363  4.7496 42.282  5.1344 2.080498       6.994348 
1 1 1 0  27 29 f 87.346  1.9827 76.486   2.3658  88.218  3.1846 86.475  2.3628 1.742851       3.965447 
1 1 1 0  27 31 o 18.123  5.0765 2.0893   1.8841  17.348  6.6149 18.898  7.7024 -1.549286      10.15296 
1 1 1 0  27 33 o 21.703  4.6441 4.8796   1.6577  25.612  6.2737 17.794  6.8492 7.817755       9.288228 
1 1 1 0  27 35 o 34.463  4.3512 13.089   2.0432  38.895  5.2532 30.031  6.9380 8.863401       8.702383 
1 1 1 0  27 37 o 35.719  3.6789 13.744   1.7855  40.245  4.6010 31.193  5.7418 9.051126       7.357808 
1 1 1 0  27 39 o 17.243  5.1706 1.2104   2.1654  19.922  8.0551 14.565  6.4850 5.356854       10.34118 
1 1 1 0  27 41 o 21.442  5.3301 5.4972   2.0108  21.985  7.5010 20.899  7.5747 1.086166       10.66028 
1 1 1 0  27 43 o 16.660  4.9792 1.9794   2.0253  14.233  6.3556 19.087  7.6667 -4.854290      9.958493 
1 1 1 0  28 0  f 169.176 2.5300 286.561  8.5560  169.176 2.5300 ?       ?      0.000000       0.000000 
1 1 1 0  28 2  o 159.964 1.8773 256.085  4.2401  161.174 2.7335 158.755 2.5741 2.419296       3.754694 
1 1 1 0  28 4  o 235.944 2.0385 556.607  6.7747  239.832 3.0084 232.057 2.7515 7.775223       4.076914 
1 1 1 0  28 6  o 128.594 1.7382 165.411  3.1577  124.179 2.4681 133.008 2.4483 -8.828911      3.476391 
1 1 1 0  28 8  o 291.272 2.4354 849.954  9.9985  293.034 3.5953 289.511 3.2861 3.523193       4.870784 
1 1 1 0  28 10 o 125.471 1.6411 157.198  2.8768  127.263 2.5086 123.679 2.1167 3.584335       3.282270 
1 1 1 0  28 12 o 153.579 1.7539 235.776  3.7666  154.995 2.6777 152.162 2.2660 2.832993       3.507784 
1 1 1 0  28 14 o 136.048 1.8445 186.174  3.4700  133.492 2.9177 138.603 2.2573 -5.111008      3.688934 
1 1 1 0  28 16 o 189.779 1.8145 361.260  4.8316  187.991 2.7511 191.567 2.3665 -3.575974      3.628908 
1 1 1 0  28 18 o 161.305 1.8807 261.085  4.2627  159.956 2.8341 162.654 2.4731 -2.697723      3.761456 
1 1 1 0  28 20 o 116.759 1.8341 137.132  2.9670  115.005 2.8870 118.512 2.2628 -3.507774      3.668145 
1 1 1 0  28 22 o 66.518  2.4767 44.733   2.1655  65.626  4.1836 67.410  2.6522 -1.783348      4.953453 
1 1 1 0  28 24 o 147.628 1.8214 218.727  3.7967  149.023 2.4851 146.232 2.6635 2.790726       3.642760 
1 1 1 0  28 26 o 58.342  2.5399 33.289   2.0374  50.719  3.3990 65.965  3.7750 -15.24611      5.079730 
1 1 1 0  28 28 o 49.649  2.7840 25.013   1.9427  48.655  4.1994 50.644  3.6562 -1.989304      5.568034 
1 1 1 0  28 30 o 34.626  4.0645 12.314   1.9050  28.859  5.9558 40.393  5.5326 -11.53395      8.129046 
1 1 1 0  28 32 o 17.674  4.7408 2.4607   1.6577  16.582  6.7034 18.766  6.7056 -2.183470      9.481605 
1 1 1 0  28 34 o 67.069  2.3939 46.066   2.2626  66.479  3.5537 67.659  3.2086 -1.179276      4.787890 
1 1 1 0  28 36 o 36.766  3.7510 14.577   1.8787  41.471  4.7729 32.062  5.7879 9.408997       7.502028 
1 1 1 0  28 38 o 16.750  5.0693 1.1207   2.1347  15.871  6.9023 17.630  7.4262 -1.758798      10.13855 
1 1 1 0  28 40 o 21.310  5.3817 5.3005   2.1271  23.520  7.4875 19.100  7.7324 4.419987       10.76348 
1 1 1 0  28 42 f 15.917  4.9897 1.0216   2.2056  16.480  7.3642 15.354  6.7347 1.126043       9.979366 
1 1 1 0  29 1  o 146.700 1.7391 215.443  3.6050  146.031 2.4048 147.370 2.5129 -1.339066      3.478228 
1 1 1 0  29 3  o 108.918 1.8663 118.770  2.8719  105.141 2.6721 112.696 2.6062 -7.554993      3.732613 
1 1 1 0  29 5  o 69.681  2.0256 48.815   1.9608  68.479  3.1702 70.884  2.5222 -2.405731      4.051116 
1 1 1 0  29 7  o 30.796  3.9790 9.5872   1.6625  37.888  5.0557 23.703  6.1457 14.18558       7.957976 
1 1 1 0  29 9  o 37.821  3.1053 14.322   1.6503  38.569  4.6353 37.073  4.1335 1.496563       6.210660 
1 1 1 0  29 11 o 33.382  3.3228 11.212   1.5637  35.291  4.5231 31.473  4.8690 3.818388       6.645682 
1 1 1 0  29 13 o 40.149  3.3412 16.218   1.8571  40.120  5.2519 40.178  4.1319 -0.5755615E-01 6.682470 
1 1 1 0  29 15 o 97.546  1.9223 95.598   2.5618  96.791  3.1005 98.300  2.2734 -1.509140      3.844636 
1 1 1 0  29 17 o 45.567  3.1892 21.144   1.9702  43.978  5.2267 47.156  3.6559 -3.177593      6.378432 
1 1 1 0  29 19 o 128.046 1.8266 165.121  3.2806  123.889 2.7831 132.203 2.3666 -8.313652      3.653238 
1 1 1 0  29 21 o 116.263 2.1098 135.195  3.2844  117.380 3.4814 115.146 2.3844 2.233559       4.219644 
1 1 1 0  29 23 o 104.425 1.9585 109.759  2.8506  105.838 2.4735 103.012 3.0372 2.825493       3.916961 
1 1 1 0  29 25 o 57.609  2.9570 34.367   2.2951  53.367  4.9054 61.852  3.3034 -8.484867      5.914034 
1 1 1 0  29 27 o 24.458  4.6577 6.4022   1.6577  22.265  6.6586 26.651  6.5145 -4.386692      9.315343 
1 1 1 0  29 29 o 16.182  4.6839 0.9705   1.7507  17.463  6.7214 14.902  6.5252 2.561730       9.367793 
1 1 1 0  29 31 o 24.258  5.0542 6.4907   1.8318  22.847  6.7818 25.668  7.4958 -2.820786      10.10841 
1 1 1 0  29 33 o 32.756  4.6883 12.087   2.0761  30.280  7.7652 35.232  5.2556 -4.951742      9.376575 
1 1 1 0  29 35 o 17.854  4.8777 2.4990   1.8429  20.017  6.9867 15.691  6.8084 4.325555       9.755432 
1 1 1 0  29 37 f 15.182  4.7938 -0.4470  2.1071  15.235  6.7918 15.129  6.7669 0.1057568      9.587517 
1 1 1 0  29 39 o 31.249  4.7595 11.812   2.0432  31.350  6.7120 31.148  6.7499 0.2021523      9.519014 
1 1 1 0  29 41 o 24.792  5.1957 8.3604   2.0352  21.451  7.8046 28.134  6.8607 -6.682972      10.39137 
1 1 1 0  30 0  o 31.487  5.8413 10.855   3.3202  31.487  5.8413 ?       ?      0.000000       0.000000 
1 1 1 0  30 2  o 42.280  3.1490 17.826   1.8701  45.663  4.4746 38.898  4.4320 6.764336       6.297956 
1 1 1 0  30 4  o 108.064 1.8830 116.889  2.8605  108.643 2.8210 107.485 2.4950 1.158104       3.766021 
1 1 1 0  30 6  o 88.095  2.0346 77.849   2.5023  87.572  3.1352 88.618  2.5938 -1.046631      4.069110 
1 1 1 0  30 8  o 176.080 1.9681 310.599  4.8493  176.375 3.0047 175.785 2.5426 0.5901489      3.936144 
1 1 1 0  30 10 f 118.603 1.7915 140.601  2.9792  120.467 2.7031 116.739 2.3519 3.728523       3.583051 
1 1 1 0  30 12 o 31.633  4.6111 11.013   1.9052  26.598  8.1301 36.669  4.3531 -10.07146      9.222187 
1 1 1 0  30 14 o 73.778  1.9602 54.614   2.0412  73.295  2.8748 74.260  2.6654 -0.9653931     3.920317 
1 1 1 0  30 16 o 42.012  3.2343 17.953   1.7438  41.243  5.5734 42.782  3.2834 -1.539349      6.468654 
1 1 1 0  30 18 o 72.964  2.2982 53.297   2.2321  73.592  3.8176 72.335  2.5598 1.256653       4.596349 
1 1 1 0  30 20 o 66.240  2.8944 43.812   2.4802  67.414  4.9251 65.067  3.0420 2.346542       5.788870 
1 1 1 0  30 22 f 149.847 1.8707 225.056  3.8331  151.015 3.0019 148.679 2.2332 2.336487       3.741474 
1 1 1 0  30 24 f 69.378  2.3796 48.624   2.3301  71.181  3.2293 67.575  3.4961 3.606102       4.759289 
1 1 1 0  30 26 o 45.593  2.7789 21.103   1.7855  42.677  4.0395 48.508  3.8172 -5.830833      5.557797 
1 1 1 0  30 28 o 47.365  2.7179 22.832   1.8147  47.858  4.0025 46.873  3.6780 0.9850731      5.435748 
1 1 1 0  30 30 o 45.336  3.4152 21.304   2.1033  44.358  4.0304 46.314  5.5146 -1.955364      6.830423 
1 1 1 0  30 32 o 39.869  3.6874 16.878   2.0707  37.103  5.3348 42.635  5.0919 -5.531517      7.374781 
1 1 1 0  30 34 o 22.285  5.4845 5.4072   2.2329  18.348  7.4829 26.223  8.0203 -7.875751      10.96902 
1 1 1 0  30 36 o 30.024  4.5824 10.964   1.9711  22.400  7.7332 37.648  4.9184 -15.24712      9.164764 
1 1 1 0  30 38 o 17.201  5.1555 2.0695   2.1540  18.731  7.7472 15.671  6.8042 3.060061       10.31095 
1 1 1 0  30 40 f 17.715  5.0141 3.0137   2.0511  20.057  7.2167 15.374  6.9631 4.683444       10.02823 
1 1 1 0  31 1  o 181.743 1.8764 330.807  4.8103  183.252 2.7526 180.233 2.5507 3.018967       3.752717 
1 1 1 0  31 3  o 176.419 1.9758 310.650  4.8493  180.040 3.0500 172.797 2.5127 7.242645       3.951681 
1 1 1 0  31 5  o 219.913 2.1373 485.259  6.6306  219.160 3.1465 220.665 2.8935 -1.504608      4.274690 
1 1 1 0  31 7  o 172.314 1.9916 297.562  4.8451  174.036 2.8984 170.592 2.7323 3.444412       3.983201 
1 1 1 0  31 9  f 52.421  2.7361 27.435   1.9500  53.528  4.4136 51.314  3.2352 2.213631       5.472298 
1 1 1 0  31 11 o 17.489  5.0035 1.2770   1.8389  20.395  7.8967 14.583  6.1466 5.811745       10.00693 
1 1 1 0  31 13 o 116.944 1.7389 137.216  2.8719  115.681 2.5390 118.207 2.3767 -2.525879      3.477813 
1 1 1 0  31 15 o 129.201 1.9757 167.815  3.5198  128.303 3.1352 130.099 2.4048 -1.795822      3.951309 
1 1 1 0  31 17 o 80.076  2.2305 64.299   2.4099  80.449  3.6509 79.703  2.5635 0.7461548      4.461018 
1 1 1 0  31 19 o 134.709 1.7795 182.830  3.3008  132.842 2.8358 136.576 2.1505 -3.734299      3.559041 
1 1 1 0  31 21 o 89.427  2.3765 80.684   2.9955  88.859  3.5209 89.994  3.1927 -1.134537      4.752951 
1 1 1 0  31 23 f 36.234  4.3447 13.959   2.1385  40.234  5.2370 32.233  6.9339 8.001163       8.689325 
1 1 1 0  31 25 o 18.778  5.3442 1.9618   2.2024  17.346  7.3136 20.210  7.7943 -2.864498      10.68834 
1 1 1 0  31 27 f 24.918  5.1687 6.8505   1.9711  26.950  6.8532 22.887  7.7392 4.062695       10.33736 
1 1 1 0  31 29 o 15.563  4.5956 0.7094   1.7216  13.616  6.0509 17.509  6.9183 -3.892438      9.191132 
1 1 1 0  31 31 o 47.984  3.2055 24.038   2.1634  51.843  4.4338 44.125  4.6305 7.717751       6.410913 
1 1 1 0  31 33 o 16.198  4.9969 -0.1241  2.2329  17.981  7.4310 14.416  6.6826 3.564798       9.993848 
1 1 1 0  31 35 o 16.023  4.9219 0.7583   2.0746  16.583  7.1061 15.464  6.8122 1.119062       9.843892 
1 1 1 0  31 37 o 16.912  5.0837 1.5846   2.2303  15.372  7.0943 18.453  7.2832 -3.080978      10.16734 
1 1 1 0  31 39 o 15.193  4.7543 0.7981   2.0412  14.472  6.5895 15.913  6.8551 -1.441205      9.508651 
1 1 1 0  32 0  o 217.590 2.7887 474.409  12.132  217.590 2.7887 ?       ?      0.000000       0.000000 
1 1 1 0  32 2  o 242.911 2.1190 592.157  7.2784  242.719 3.0252 243.102 2.9679 -0.3831177     4.237991 
1 1 1 0  32 4  o 200.545 1.9815 403.507  5.6181  201.332 2.7591 199.758 2.8448 1.574615       3.963021 
1 1 1 0  32 6  o 144.817 1.7939 210.044  3.6578  146.380 2.6608 143.254 2.4069 3.125992       3.587872 
1 1 1 0  32 8  o 136.530 1.8526 186.782  3.5654  138.120 2.7275 134.939 2.5078 3.180786       3.705183 
1 1 1 0  32 10 o 154.177 1.8450 238.481  4.0226  153.038 2.6285 155.316 2.5899 -2.277756      3.690075 
1 1 1 0  32 12 o 70.815  2.6561 51.489   2.4519  67.484  4.5416 74.145  2.7557 -6.661209      5.312214 
1 1 1 0  32 14 o 89.683  2.0292 80.455   2.4966  90.804  3.2346 88.562  2.4513 2.242149       4.058488 
1 1 1 0  32 16 o 102.910 2.0610 106.173  2.8918  103.813 3.3213 102.008 2.4412 1.805595       4.121904 
1 1 1 0  32 18 o 46.890  3.2632 22.069   1.9503  47.788  5.6117 45.992  3.3319 1.796486       6.526324 
1 1 1 0  32 20 o 54.040  2.9385 29.329   2.1691  55.849  4.6874 52.230  3.5452 3.618679       5.877098 
1 1 1 0  32 22 o 33.935  4.4003 12.219   2.0113  33.167  7.1349 34.702  5.1519 -1.534725      8.800508 
1 1 1 0  32 24 o 18.512  5.3356 1.4964   2.2662  16.565  7.2618 20.460  7.8194 -3.894627      10.67130 
1 1 1 0  32 26 o 36.396  4.2710 14.384   2.1385  38.370  5.4914 34.422  6.5429 3.947777       8.541987 
1 1 1 0  32 28 o 36.934  3.3841 14.393   1.7553  38.955  4.4255 34.912  5.1209 4.043583       6.768217 
1 1 1 0  32 30 o 25.399  5.9872 7.6750   2.5023  24.619  8.0833 26.179  8.8343 -1.559107      11.97436 
1 1 1 0  32 32 o 30.220  5.1963 10.960   2.1987  30.830  7.5139 29.611  7.1798 1.218184       10.39269 
1 1 1 0  32 34 o 22.957  5.7876 6.3901   2.4246  25.811  8.4134 20.102  7.9498 5.708591       11.57516 
1 1 1 0  32 36 f 14.474  4.5202 0.3943   1.8057  14.121  6.1810 14.827  6.5973 -0.7058983     9.040420 
1 1 1 0  33 1  o 107.250 1.7938 115.598  2.7133  103.585 2.6505 110.915 2.4178 -7.330238      3.587638 
1 1 1 0  33 3  o 56.186  2.4898 31.563   1.9608  58.313  3.7228 54.058  3.3072 4.255577       4.979691 
1 1 1 0  33 5  o 93.967  1.9330 88.845   2.5397  92.380  2.9720 95.553  2.4724 -3.173683      3.865989 
1 1 1 0  33 7  o 46.774  3.1888 21.703   2.0374  49.357  5.0452 44.192  3.9011 5.164997       6.377525 
1 1 1 0  33 9  o 67.397  2.5401 45.518   2.3225  68.177  4.1207 66.616  2.9713 1.561584       5.080281 
1 1 1 0  33 11 o 85.873  2.0342 73.683   2.4081  87.636  3.2058 84.110  2.5051 3.526802       4.068498 
1 1 1 0  33 13 f 42.703  3.8134 19.941   1.9714  37.005  6.8120 48.401  3.4299 -11.39637      7.626777 
1 1 1 0  33 15 o 59.951  2.6906 36.258   2.2303  60.349  4.2321 59.552  3.3237 0.7969513      5.381219 
1 1 1 0  33 17 o 33.093  5.1147 11.731   2.1377  31.895  9.0114 34.292  4.8412 -2.396507      10.22943 
1 1 1 0  33 19 o 24.682  5.8853 6.0351   2.2389  26.843  9.4941 22.521  6.9576 4.322567       11.77054 
1 1 1 0  33 21 o 18.565  5.4201 1.7062   2.1213  20.545  8.5762 16.585  6.6301 3.960527       10.84020 
1 1 1 0  33 23 o 39.244  4.1198 16.845   2.1347  44.721  4.5689 33.767  6.8570 10.95387       8.239684 
1 1 1 0  33 25 f 17.421  5.2430 0.9569   2.2662  17.577  7.4735 17.265  7.3556 0.3124161      10.48609 
1 1 1 0  33 27 o 32.383  4.4449 11.748   1.9773  35.791  5.3519 28.974  7.0982 6.817289       8.889730 
1 1 1 0  33 29 o 19.430  4.8883 3.9587   1.7240  17.487  6.8247 21.372  7.0004 -3.885490      9.776585 
1 1 1 0  33 31 o 19.026  5.2994 3.3860   2.0993  17.584  7.1540 20.468  7.8203 -2.883789      10.59888 
1 1 1 0  33 33 o 27.286  5.5122 9.4499   2.1892  28.759  8.3748 25.814  7.1693 2.945404       11.02437 
1 1 1 0  33 35 o 22.595  5.5831 6.8625   2.1654  20.441  7.3415 24.750  8.4134 -4.308905      11.16616 
1 1 1 0  34 0  o 102.183 2.6911 104.842  5.4911  102.183 2.6911 ?       ?      0.000000       0.000000 
1 1 1 0  34 2  o 105.020 1.8272 110.717  2.7133  105.025 2.5534 105.016 2.6144 0.9490967E-02  3.654476 
1 1 1 0  34 4  o 113.174 1.8974 128.737  3.0299  112.058 2.7920 114.289 2.5699 -2.231728      3.794701 
1 1 1 0  34 6  o 112.838 2.0913 127.863  3.2760  113.611 3.2597 112.065 2.6209 1.545456       4.182643 
1 1 1 0  34 8  o 43.047  3.3515 18.696   2.0253  45.501  4.9114 40.592  4.5617 4.909607       6.703037 
1 1 1 0  34 10 o 18.160  4.9422 0.2973   1.9933  24.629  8.1948 11.690  5.5268 12.93893       9.884343 
1 1 1 0  34 12 o 73.173  2.6355 54.048   2.5844  73.371  4.3512 72.975  2.9749 0.3957748      5.270940 
1 1 1 0  34 14 o 76.244  2.2842 58.384   2.4247  78.167  3.5125 74.321  2.9210 3.846039       4.568328 
1 1 1 0  34 16 o 78.599  2.5149 62.136   2.5150  79.503  4.3368 77.694  2.5476 1.809486       5.029767 
1 1 1 0  34 18 o 90.792  2.8804 83.361   3.0927  91.474  5.1653 90.110  2.5509 1.363792       5.760868 
1 1 1 0  34 20 o 70.708  3.0757 52.780   2.7505  66.451  5.3808 74.964  2.9811 -8.512543      6.151439 
1 1 1 0  34 22 o 34.342  4.9738 14.286   2.0684  28.093  9.1373 40.590  3.9326 -12.49714      9.947640 
1 1 1 0  34 24 o 42.120  3.8823 19.008   2.2968  38.639  5.7837 45.602  5.1806 -6.962795      7.764685 
1 1 1 0  34 26 o 15.882  4.8256 0.5778   1.9218  14.079  6.2225 17.686  7.3774 -3.607566      9.651206 
1 1 1 0  34 28 o 16.868  4.9383 1.6814   1.8623  14.415  6.1813 19.321  7.7031 -4.906378      9.876553 
1 1 1 0  34 30 o 19.470  5.2665 3.6956   2.1051  16.517  7.0351 22.423  7.8390 -5.905836      10.53291 
1 1 1 0  34 32 o 30.377  5.1130 11.812   2.1709  28.676  7.4895 32.079  6.9627 -3.403908      10.22604 
1 1 1 0  34 34 o 15.016  4.8614 -0.3621  2.3266  14.899  6.8909 15.132  6.8591 -0.2331953     9.722724 
1 1 1 0  35 1  o 81.586  2.0234 67.029   2.3266  82.350  2.7137 80.822  3.0021 1.528305       4.046827 
1 1 1 0  35 3  o 75.708  2.2125 57.849   2.3625  72.503  3.2585 78.912  2.9938 -6.409706      4.424957 
1 1 1 0  35 5  o 27.276  4.9915 7.9730   2.1246  21.418  8.3994 33.135  5.3955 -11.71785      9.983082 
1 1 1 0  35 7  o 81.684  2.2728 66.996   2.5789  83.432  3.5204 79.937  2.8755 3.494881       4.545527 
1 1 1 0  35 9  o 52.786  3.0082 27.864   2.1454  55.208  4.8575 50.364  3.5498 4.843357       6.016339 
1 1 1 0  35 11 o 75.808  2.5752 58.717   2.6682  73.530  4.1681 78.086  3.0255 -4.555771      5.150402 
1 1 1 0  35 13 o 46.133  3.7151 21.965   2.2520  45.828  6.2697 46.438  3.9874 -0.6099358     7.430224 
1 1 1 0  35 15 o 22.997  5.2745 5.4445   1.8648  23.472  8.4726 22.522  6.2847 0.9502239      10.54906 
1 1 1 0  35 17 o 18.455  5.2595 1.7417   2.1213  17.892  7.9965 19.018  6.8342 -1.125666      10.51899 
1 1 1 0  35 19 o 28.666  5.6877 9.6822   2.4802  24.565  9.4949 32.766  6.2646 -8.201744      11.37534 
1 1 1 0  35 21 o 18.152  5.5444 1.3093   2.1337  21.626  9.2174 14.678  6.1646 6.947508       11.08883 
1 1 1 0  35 23 o 41.378  5.2065 20.034   2.4946  37.516  9.5132 45.239  4.2342 -7.722923      10.41293 
1 1 1 0  35 25 o 44.111  3.5091 20.920   2.0813  45.321  3.9448 42.900  5.8046 2.421001       7.018117 
1 1 1 0  35 27 o 27.725  5.1990 9.3802   2.1051  24.164  7.5966 31.285  7.1001 -7.121746      10.39809 
1 1 1 0  35 29 o 16.678  4.8993 1.9411   1.9070  16.790  6.8103 16.566  7.0450 0.2236652      9.798531 
1 1 1 0  35 31 o 17.661  5.2491 2.5575   2.1537  17.476  6.7224 17.845  8.0637 -0.3690357     10.49828 
1 1 1 0  36 0  f 16.571  9.1461 4.0864   4.3418  16.571  9.1461 ?       ?      0.000000       0.000000 
1 1 1 0  36 2  o 74.463  2.3950 56.106   2.5217  75.438  3.3856 73.488  3.3885 1.949509       4.790029 
1 1 1 0  36 4  o 69.292  2.4807 48.674   2.4196  68.967  3.7032 69.617  3.3018 -0.6496429     4.961422 
1 1 1 0  36 6  o 65.150  2.5665 43.343   2.2951  63.514  4.1217 66.786  3.0594 -3.272030      5.133060 
1 1 1 0  36 8  o 95.815  1.9447 92.546   2.5789  96.143  3.0550 95.487  2.4072 0.6553802      3.889427 
1 1 1 0  36 10 o 41.714  4.3256 18.769   2.1727  39.508  7.7093 43.919  3.9253 -4.411743      8.651100 
1 1 1 0  36 12 o 48.728  3.6464 24.976   2.3440  46.581  6.1684 50.875  3.8906 -4.294861      7.292853 
1 1 1 0  36 14 f 71.355  2.5645 52.214   2.4966  70.875  4.1441 71.835  3.0221 -0.9605103     5.128972 
1 1 1 0  36 16 o 80.918  2.3039 66.226   2.4437  82.343  3.8771 79.493  2.4900 2.850510       4.607819 
1 1 1 0  36 18 o 29.501  6.4133 10.612   3.0961  25.399  9.7109 33.604  8.3796 -8.205164      12.82654 
1 1 1 0  36 20 o 23.630  5.7569 6.1263   2.3086  22.775  9.0396 24.484  7.1312 -1.709318      11.51378 
1 1 1 0  36 22 o 20.388  5.9625 2.7422   2.8847  19.260  8.7605 21.516  8.0907 -2.255789      11.92500 
1 1 1 0  36 24 o 28.477  4.4108 9.4452   1.7274  31.597  4.8498 25.357  7.3689 6.239702       8.821695 
1 1 1 0  36 26 o 20.836  5.7112 4.6704   2.3225  18.337  7.2688 23.335  8.8111 -4.997824      11.42243 
1 1 1 0  36 28 f 28.143  5.6637 10.720   2.3607  27.922  7.8860 28.364  8.1315 -0.4426937     11.32737 
1 1 1 0  36 30 o 33.166  4.4778 13.600   2.0432  37.180  5.4955 29.152  7.0712 8.027502       8.955609 
1 1 1 0  37 1  o 66.196  2.4255 44.463   2.2555  66.558  3.6454 65.835  3.2005 0.7235107      4.851038 
1 1 1 0  37 3  o 117.176 2.0433 138.698  3.3732  118.436 3.0190 115.916 2.7542 2.520164       4.086565 
1 1 1 0  37 5  o 69.848  2.4194 49.966   2.3469  67.194  3.8010 72.502  2.9943 -5.307930      4.838729 
1 1 1 0  37 7  o 16.574  5.0932 0.0999   2.1469  18.285  7.8292 14.863  6.5167 3.422098       10.18647 
1 1 1 0  37 9  o 22.034  5.5377 4.8752   2.0507  24.800  8.7085 19.268  6.8431 5.532690       11.07544 
1 1 1 0  37 11 o 47.282  3.6698 23.431   2.2714  47.340  6.2043 47.224  3.9211 0.1162758      7.339520 
1 1 1 0  37 13 o 39.781  4.2153 16.615   2.2520  42.029  6.8364 37.534  4.9333 4.494732       8.430560 
1 1 1 0  37 15 o 18.310  5.4163 1.3818   2.4099  17.359  7.8662 19.260  7.4476 -1.901398      10.83254 
1 1 1 0  37 17 o 17.335  5.4709 -0.5185  2.4802  21.203  8.9974 13.466  6.2266 7.736957       10.94181 
1 1 1 0  37 19 o 29.314  6.0285 10.838   2.6651  25.958  10.165 32.670  6.4845 -6.712395      12.05707 
1 1 1 0  37 21 o 33.846  5.7405 15.031   2.8053  26.352  10.129 41.340  5.4058 -14.98798      11.48102 
1 1 1 0  37 23 o 25.381  6.1808 8.3802   2.7133  27.089  8.7245 23.673  8.7575 3.415592       12.36169 
1 1 1 0  37 25 o 16.487  4.9879 1.5501   2.0707  16.342  7.1110 16.632  6.9966 -0.2899380     9.975887 
1 1 1 0  37 27 o 34.887  5.0521 15.455   2.4545  30.392  7.7484 39.382  6.4852 -8.990202      10.10422 
1 1 1 0  38 0  o 40.772  4.9774 17.750   3.9587  40.772  4.9774 ?       ?      0.000000       0.000000 
1 1 1 0  38 2  o 37.375  4.3055 15.388   2.1709  42.518  5.1059 32.233  6.9339 10.28529       8.611003 
1 1 1 0  38 4  o 66.143  2.5005 44.659   2.2951  67.336  3.8877 64.950  3.1458 2.386879       5.001089 
1 1 1 0  38 6  o 33.258  5.0323 12.525   2.2827  35.035  7.3433 31.481  6.8826 3.553820       10.06451 
1 1 1 0  38 8  o 23.697  5.4261 6.1451   2.0587  27.468  8.2081 19.926  7.0989 7.542454       10.85211 
1 1 1 0  38 10 o 23.119  5.7416 5.7308   2.1727  25.646  9.1028 20.592  7.0004 5.054306       11.48328 
1 1 1 0  38 12 o 23.894  5.7498 6.2993   2.2566  26.776  8.8343 21.013  7.3618 5.762573       11.49961 
1 1 1 0  38 14 f 38.287  4.6070 15.978   2.2067  40.235  7.8988 36.339  4.7441 3.895786       9.214020 
1 1 1 0  38 16 o 17.275  5.4348 -0.0015  2.5317  18.161  8.3572 16.389  6.9504 1.772074       10.86969 
1 1 1 0  38 18 o 24.583  6.2196 6.7177   2.4545  30.144  10.171 19.021  7.1608 11.12244       12.43917 
1 1 1 0  38 20 o 27.723  6.1897 10.213   2.8366  24.479  9.8540 30.966  7.4932 -6.486790      12.37944 
1 1 1 0  38 22 o 23.389  6.1360 6.9356   2.7825  21.675  9.1348 25.103  8.1948 -3.427597      12.27191 
1 1 1 0  38 24 o 20.324  5.6926 4.9538   2.4545  21.301  8.0691 19.348  8.0319 1.952675       11.38512 
1 1 1 0  38 26 o 17.431  5.3038 2.6403   2.3556  16.554  7.2092 18.308  7.7813 -1.754553      10.60761 
1 1 1 0  39 1  o 55.727  3.1677 32.538   2.4885  57.110  4.2485 54.344  4.6998 2.766426       6.335412 
1 1 1 0  39 3  o 25.071  5.5744 7.2827   2.1913  26.309  8.1482 23.834  7.6093 2.475128       11.14873 
1 1 1 0  39 5  o 22.245  5.6156 5.2285   2.2555  24.957  8.3048 19.532  7.5610 5.425137       11.23112 
1 1 1 0  39 7  o 33.094  5.1161 12.926   2.3196  30.796  8.0112 35.393  6.3655 -4.597109      10.23223 
1 1 1 0  39 9  o 21.436  5.3140 4.5458   2.2543  17.364  7.6722 25.508  7.3548 -8.144094      10.62804 
1 1 1 0  39 11 o 19.543  5.4345 2.9736   2.1180  24.184  8.7791 14.901  6.4080 9.283283       10.86900 
1 1 1 0  39 13 o 26.359  5.4935 8.5489   2.2543  23.486  8.5679 29.233  6.8780 -5.747408      10.98709 
1 1 1 0  39 15 o 27.747  5.2579 9.5083   2.5109  20.296  8.7683 35.198  5.8049 -14.90216      10.51576 
1 1 1 0  39 17 o 20.738  5.8081 4.4504   2.2412  22.940  9.4056 18.535  6.8169 4.405563       11.61615 
1 1 1 0  39 19 o 23.994  6.2958 7.4196   2.6172  26.836  10.052 21.152  7.5837 5.684063       12.59169 
1 1 1 0  39 21 o 18.724  5.6712 3.1234   2.5150  19.950  8.8111 17.499  7.1424 2.451511       11.34233 
1 1 1 0  39 23 o 28.104  5.4013 10.832   2.1987  28.593  7.8175 27.616  7.4555 0.9773045      10.80267 
1 1 1 0  40 0  o 10.758  7.4114 -2.1709  4.9803  10.758  7.4114 ?       ?      0.000000       0.000000 
1 1 1 0  40 2  o 31.721  5.5056 12.213   2.4379  31.002  8.4295 32.441  7.0844 -1.439087      11.01114 
1 1 1 0  40 4  o 47.279  3.7963 24.499   2.4885  42.723  5.9781 51.835  4.6809 -9.111820      7.592675 
1 1 1 0  40 6  o 37.823  4.3253 16.134   2.2183  36.508  6.8976 39.138  5.2206 -2.630268      8.650525 
1 1 1 0  40 8  o 20.887  5.2862 3.9554   2.3188  16.813  7.6971 24.961  7.2476 -8.148607      10.57231 
1 1 1 0  40 10 o 39.677  5.0815 18.774   2.4802  37.148  9.0162 42.206  4.6898 -5.058495      10.16297 
1 1 1 0  40 12 o 28.043  5.6110 9.7717   2.2321  29.983  8.8004 26.102  6.9631 3.881430       11.22194 
1 1 1 0  40 14 o 20.293  5.5422 4.4228   2.0684  22.189  8.8359 18.398  6.6925 3.791376       11.08433 
1 1 1 0  40 16 o 15.838  5.3479 -3.4236  3.1913  16.880  8.1367 14.796  6.9422 2.083991       10.69577 
1 1 1 0  40 18 o 25.345  6.6477 9.5350   2.9797  25.738  10.651 24.952  7.9572 0.7868252      13.29531 
1 1 1 0  40 20 f 26.369  5.9479 10.529   2.7714  21.918  9.4905 30.819  7.1722 -8.900934      11.89578 
1 1 1 0  41 1  o 54.974  3.1626 32.345   2.4479  55.992  4.6754 53.956  4.2602 2.036652       6.325260 
1 1 1 0  41 3  o 30.144  5.3610 11.312   2.2915  33.082  7.5050 27.205  7.6574 5.876480       10.72200 
1 1 1 0  41 5  o 21.264  5.7373 4.8211   2.4247  24.962  8.8069 17.567  7.3558 7.394264       11.47469 
1 1 1 0  41 7  o 35.638  4.8636 14.950   2.1727  34.790  8.5027 36.487  4.7249 -1.697441      9.727295 
1 1 1 0  41 9  o 38.551  4.4307 17.495   2.2702  36.123  7.3257 40.979  4.9859 -4.856361      8.861477 
1 1 1 0  41 11 o 21.619  5.7880 5.6620   2.3650  25.687  9.1042 17.552  7.1496 8.135288       11.57601 
1 1 1 0  41 13 o 22.386  5.8527 6.4080   2.4966  20.883  9.2470 23.890  7.1770 -3.006630      11.70541 
1 1 1 0  41 15 o 34.882  5.9189 18.104   3.0674  26.985  10.133 42.779  6.1196 -15.79369      11.83771 
1 1 1 0  41 17 o 22.844  6.2851 7.7617   2.7785  25.756  9.8142 19.931  7.8544 5.825119       12.57018 
1 1 1 0  42 0  o 19.648  9.6468 6.8958   4.4695  19.648  9.6468 ?       ?      0.000000       0.000000 
1 1 1 0  42 2  o 17.120  5.2044 1.7240   2.2827  19.561  8.0021 14.679  6.6566 4.881827       10.40885 
1 1 1 0  42 4  o 20.435  5.5317 4.3877   2.4885  16.097  7.3094 24.773  8.3048 -8.675997      11.06331 
1 1 1 0  42 6  o 24.985  5.2351 8.3043   2.1913  19.631  7.8836 30.338  6.8902 -10.70790      10.47023 
1 1 1 0  42 8  o 34.622  5.3328 15.273   2.4519  38.884  8.1440 30.359  6.8869 8.525135       10.66554 
1 1 1 0  42 10 o 62.186  3.4121 44.751   2.6450  56.028  6.0399 68.343  3.1765 -12.31509      6.824300 
1 1 1 0  42 12 o 63.807  3.4501 45.771   2.8053  63.138  5.9666 64.476  3.4661 -1.337986      6.900278 
1 1 1 0  43 1  o 19.563  5.6995 4.7281   2.5761  20.514  8.0743 18.612  8.0463 1.902315       11.39896 
1 1 1 1  1  4  o 471.251 3.0611 2225.15  20.282  478.106 4.0332 464.396 4.6060 13.71042       6.122202 
1 1 1 1  1  6  o 253.883 1.7926 643.454  6.2599  252.225 2.1771 255.540 2.8485 -3.315170      3.585159 
1 1 1 1  1  8  o 201.179 1.4924 404.733  4.2458  200.687 2.0998 201.671 2.1213 -0.9837799     2.984816 
1 1 1 1  1  10 f 128.894 1.1408 166.408  2.0746  125.327 1.6813 132.460 1.5425 -7.133469      2.281657 
1 1 1 1  1  12 o 330.511 2.1994 1092.49  10.280  327.690 3.1176 333.331 3.1032 -5.640442      4.398749 
1 1 1 1  1  14 o 289.079 1.9844 835.230  8.0909  286.751 2.6943 291.407 2.9142 -4.655670      3.968832 
1 1 1 1  1  16 o 127.696 1.2748 163.074  2.2915  127.696 1.9001 127.697 1.7001 -0.9078979E-03 2.549601 
1 1 1 1  1  18 o 722.594 7.3576 5233.12  72.834  725.190 8.7870 719.998 11.804 5.192383       14.71512 
1 1 1 1  1  20 o 971.369 5.5636 9440.06  76.396  964.689 7.7572 978.049 7.9776 -13.36066      11.12730 
1 1 1 1  1  22 o 81.098  1.2380 66.184   1.3931  78.696  1.9472 83.500  1.5294 -4.803368      2.476022 
1 1 1 1  1  24 o 198.600 1.5232 394.428  4.2770  199.275 2.1788 197.925 2.1292 1.349670       3.046394 
1 1 1 1  1  26 o 588.844 3.5347 3469.14  29.415  584.113 4.9081 593.575 5.0880 -9.461365      7.069479 
1 1 1 1  1  28 o 241.914 1.8109 585.535  6.1928  243.723 2.5150 240.105 2.6061 3.617584       3.621733 
1 1 1 1  1  30 o 188.802 1.5305 356.491  4.0854  185.793 2.1651 191.811 2.1637 -6.017822      3.060941 
1 1 1 1  1  32 o 83.015  1.4063 69.256   1.5975  84.327  1.6658 81.703  2.2663 2.623795       2.812680 
1 1 1 1  1  34 o 183.670 1.6601 337.243  4.2983  181.920 2.2463 185.420 2.4449 -3.499817      3.320159 
1 1 1 1  1  36 f 100.928 1.4315 101.702  2.0352  103.043 2.1068 98.812  1.9385 4.231194       2.862963 
1 1 1 1  1  38 o 205.827 1.7769 424.225  5.1711  205.893 2.4809 205.762 2.5446 0.1309814      3.553843 
1 1 1 1  1  40 o 107.422 1.4520 115.638  2.2024  109.623 1.9804 105.221 2.1239 4.401894       2.903906 
1 1 1 1  1  42 o 24.756  4.1505 6.4915   1.5218  29.982  4.6851 19.529  6.8524 10.45296       8.300909 
1 1 1 1  1  44 o 108.423 1.6047 117.918  2.4578  110.193 2.2019 106.653 2.3348 3.540138       3.209313 
1 1 1 1  1  46 o 13.337  4.3496 -2.8733  1.9155  13.761  6.2702 12.914  6.0300 0.8469238      8.699233 
1 1 1 1  1  48 o 47.741  2.8358 23.194   1.8181  47.643  3.2164 47.839  4.6714 -0.1958923     5.671641 
1 1 1 1  1  50 o 36.236  3.8087 14.421   1.8057  40.528  4.0962 31.944  6.4223 8.584532       7.617399 
1 1 1 1  1  52 o 43.705  4.0585 20.248   2.0841  42.676  3.5908 44.734  7.2795 -2.057430      8.116923 
1 1 1 1  1  54 o 13.678  4.3638 -1.3160  1.8571  14.708  6.3054 12.648  6.0344 2.060557       8.727636 
1 1 1 1  1  56 o 17.258  5.1066 1.9446   2.1822  18.343  6.6905 16.172  7.7167 2.170359       10.21326 
1 1 1 1  2  1  o 675.465 7.9800 4568.14  76.176  660.128 11.220 690.801 11.350 -30.67267      15.95993 
1 1 1 1  2  3  o 207.228 1.7082 432.288  4.9021  201.126 2.6985 213.330 2.0951 -12.20459      3.416314 
1 1 1 1  2  5  o 524.097 3.2965 2744.07  23.768  521.763 4.0016 526.431 5.2397 -4.668701      6.592997 
1 1 1 1  2  7  o 306.829 2.6595 942.301  11.514  310.222 3.6019 303.435 3.9139 6.786255       5.319046 
1 1 1 1  2  9  o 515.350 3.2373 2642.11  22.868  505.935 3.9123 524.766 5.1590 -18.83041      6.474655 
1 1 1 1  2  11 f 541.116 3.3385 2929.25  25.532  543.036 4.6209 539.196 4.8196 3.839905       6.676933 
1 1 1 1  2  13 o 233.452 1.7307 543.812  5.6930  238.798 2.5401 228.107 2.3513 10.69083       3.461338 
1 1 1 1  2  15 o 468.773 2.9723 2198.86  19.692  466.603 4.2968 470.942 4.1081 -4.338837      5.944654 
1 1 1 1  2  17 o 344.754 2.3440 1188.18  11.424  339.292 3.2933 350.217 3.3364 -10.92499      4.687987 
1 1 1 1  2  21 o 323.296 2.1855 1045.06  9.9900  318.586 3.0864 328.005 3.0951 -9.419403      4.371043 
1 1 1 1  2  23 o 40.189  2.1826 15.848   1.1829  49.641  2.8297 30.737  3.3237 18.90381       4.365107 
1 1 1 1  2  25 o 212.370 1.6691 451.093  5.0121  215.106 2.3450 209.635 2.3757 5.471466       3.338109 
1 1 1 1  2  27 o 178.605 1.5050 319.202  3.7988  176.031 2.1763 181.180 2.0793 -5.148499      3.009938 
1 1 1 1  2  29 o 282.887 2.4348 795.129  9.3099  288.573 3.9606 277.201 2.8332 11.37274       4.869629 
1 1 1 1  2  31 o 27.066  3.2501 7.4705   1.2132  28.567  4.2467 25.564  4.9211 3.002798       6.500178 
1 1 1 1  2  33 f 102.549 1.3647 105.094  1.9773  105.505 1.9366 99.592  1.9234 5.912537       2.729419 
1 1 1 1  2  35 o 164.135 1.5133 269.447  3.5071  163.049 2.0755 165.221 2.2028 -2.171280      3.026547 
1 1 1 1  2  37 o 72.615  1.6174 52.642   1.6503  71.170  2.1532 74.060  2.4140 -2.890335      3.234738 
1 1 1 1  2  39 o 104.442 1.5632 108.099  2.2348  100.975 1.8970 107.910 2.4851 -6.935211      3.126447 
1 1 1 1  2  41 o 29.599  3.4248 8.6865   1.4019  31.611  5.2517 27.588  4.3975 4.023121       6.849675 
1 1 1 1  2  43 o 41.429  2.8360 17.303   1.6601  40.427  4.1065 42.431  3.9125 -2.003578      5.671944 
1 1 1 1  2  45 o 107.119 1.6343 115.488  2.4379  108.704 2.0558 105.535 2.5411 3.169540       3.268566 
1 1 1 1  2  47 o 47.333  4.0206 23.620   1.9308  49.076  2.7322 45.590  7.5629 3.486141       8.041283 
1 1 1 1  2  49 o 25.740  5.4717 7.0365   1.9137  24.128  5.8698 27.353  9.2361 -3.225058      10.94347 
1 1 1 1  2  51 o 20.672  5.2762 4.3682   1.9256  20.271  6.7361 21.073  8.1226 -0.8022594     10.55234 
1 1 1 1  2  53 o 48.950  3.3353 26.800   1.9832  54.152  2.9478 43.748  5.9840 10.40381       6.670613 
1 1 1 1  2  55 o 22.359  5.3490 6.3036   1.9137  22.931  6.0410 21.787  8.8291 1.143488       10.69796 
1 1 1 1  3  0  o 417.162 3.6894 1740.82  30.776  417.162 3.6894 ?       ?      0.000000       0.000000 
1 1 1 1  3  2  o 609.029 3.8316 3715.51  32.834  601.720 5.7407 616.337 5.0762 -14.61670      7.663164 
1 1 1 1  3  4  o 475.051 2.9653 2256.16  19.905  479.457 4.2748 470.645 4.1107 8.811859       5.930583 
1 1 1 1  3  6  o 909.806 15.103 8294.17  274.812 ?       ?      909.806 15.103 ?              ?        
1 1 1 1  3  8  o 660.687 4.1851 4359.08  37.742  657.174 4.9648 664.201 6.7388 -7.027710      8.370241 
1 1 1 1  3  10 o 258.984 2.0233 672.762  6.8619  260.690 2.1554 257.279 3.4248 3.411346       4.046619 
1 1 1 1  3  12 o 371.745 2.9012 1379.85  14.259  370.187 3.1737 373.304 4.8576 -3.117065      5.802434 
1 1 1 1  3  14 o 65.052  1.0414 42.235   0.9535  63.924  1.3984 66.181  1.5437 -2.257050      2.082885 
1 1 1 1  3  16 o 429.711 2.6689 1845.50  16.193  424.722 3.6682 434.699 3.8777 -9.977295      5.337819 
1 1 1 1  3  18 o 178.616 1.7621 318.146  4.3859  176.079 2.2483 181.153 2.7140 -5.073410      3.524268 
1 1 1 1  3  20 o 633.729 3.8510 4015.85  34.479  638.745 5.5679 628.714 5.3216 10.03168       7.702010 
1 1 1 1  3  22 o 216.179 1.6513 467.172  5.0313  217.152 2.4405 215.205 2.2252 1.947342       3.302665 
1 1 1 1  3  24 f 256.190 1.8152 656.446  6.5766  255.679 2.5722 256.701 2.5620 -1.021835      3.630423 
1 1 1 1  3  26 o 396.877 2.7289 1576.32  15.251  397.756 3.6440 395.997 4.0632 1.759491       5.457868 
1 1 1 1  3  28 o 293.419 1.9849 861.139  8.2347  291.179 2.7849 295.659 2.8291 -4.479065      3.969793 
1 1 1 1  3  30 o 120.841 1.5848 145.505  2.5109  119.794 1.7056 121.888 2.6716 -2.094162      3.169641 
1 1 1 1  3  32 o 146.949 1.5522 216.113  3.2241  148.428 2.1509 145.471 2.2385 2.956085       3.104387 
1 1 1 1  3  34 o 184.025 1.6831 338.252  4.3456  181.779 2.2129 186.271 2.5366 -4.491791      3.366188 
1 1 1 1  3  36 o 91.531  1.4066 83.758   1.8147  90.732  1.9001 92.330  2.0746 -1.598686      2.813247 
1 1 1 1  3  38 o 119.561 1.4165 143.062  2.3940  122.390 1.9824 116.732 2.0238 5.658051       2.833023 
1 1 1 1  3  40 o 34.304  3.5861 12.700   1.5116  38.596  3.3086 30.011  6.3635 8.585175       7.172210 
1 1 1 1  3  42 o 18.173  4.5484 2.8475   1.4835  19.286  6.1649 17.060  6.6891 2.226410       9.096721 
1 1 1 1  3  44 o 25.442  4.3784 6.8583   1.5775  28.438  4.7151 22.447  7.3790 5.990877       8.756830 
1 1 1 1  3  46 f 48.851  3.1454 23.837   1.9136  47.631  3.0832 50.071  5.4834 -2.439056      6.290761 
1 1 1 1  3  48 o 30.703  5.3719 9.5707   1.9207  28.865  4.6454 32.541  9.6876 -3.676731      10.74376 
1 1 1 1  3  50 o 19.594  5.0942 3.5712   1.7438  16.834  6.2568 22.353  8.0408 -5.518824      10.18835 
1 1 1 1  3  52 o 42.922  3.4708 20.120   1.9500  46.004  3.6087 39.840  5.9298 6.163368       6.941573 
1 1 1 1  3  54 o 24.793  5.2309 7.6780   2.0113  26.859  6.6767 22.727  8.0542 4.132244       10.46173 
1 1 1 1  3  56 o 17.748  5.2574 3.0442   1.9437  14.504  6.0600 20.992  8.5929 -6.487943      10.51479 
1 1 1 1  4  3  o 718.403 4.8864 5163.65  49.643  716.926 6.9468 719.879 6.8739 -2.953064      9.772873 
1 1 1 1  4  5  o 633.490 3.7874 4010.68  33.900  622.262 5.2742 644.718 5.4371 -22.45599      7.574883 
1 1 1 1  4  9  o 474.562 2.9970 2248.54  20.047  483.189 4.4004 465.935 4.0700 17.25305       5.994030 
1 1 1 1  4  11 o 600.581 4.3539 3587.65  32.658  594.446 4.2535 606.717 7.5983 -12.27136      8.707816 
1 1 1 1  4  13 o 335.946 2.6016 1123.94  10.981  333.311 2.5670 338.580 4.5260 -5.268890      5.203254 
1 1 1 1  4  15 o 142.574 1.6915 203.114  3.3250  142.083 2.0672 143.064 2.6778 -0.9807892     3.382905 
1 1 1 1  4  17 o 331.874 2.5727 1092.59  10.705  327.097 2.5376 336.650 4.4761 -9.553223      5.145371 
1 1 1 1  4  19 o 1262.44 8.7584 15938.87 148.673 1257.06 9.9758 1267.82 14.399 -10.75476      17.51676 
1 1 1 1  4  21 o 636.668 3.8636 4052.41  33.814  635.125 4.6747 638.210 6.1528 -3.085266      7.727263 
1 1 1 1  4  23 o 45.960  1.8186 21.067   1.1735  45.058  2.4090 46.863  2.7250 -1.804996      3.637183 
1 1 1 1  4  25 o 233.270 1.7476 544.606  5.6203  233.850 2.1297 232.689 2.7715 1.161606       3.495239 
1 1 1 1  4  27 f 128.168 1.3900 165.312  2.4640  131.583 1.6984 124.753 2.2008 6.829506       2.779928 
1 1 1 1  4  29 o 474.953 3.9439 2255.64  26.123  479.765 6.0688 470.140 5.0386 9.625305       7.887801 
1 1 1 1  4  31 o 96.268  1.6739 92.412   2.2555  106.943 2.2688 85.593  2.4617 21.35029       3.347761 
1 1 1 1  4  33 o 10.722  3.5333 -2.5322  1.3019  9.6993  4.6095 11.744  5.3561 -2.044691      7.066500 
1 1 1 1  4  35 o 91.948  1.4788 84.899   1.8181  92.826  1.6508 91.070  2.4539 1.755432       2.957507 
1 1 1 1  4  37 o 63.244  1.8888 40.894   1.5775  66.540  2.0151 59.949  3.1953 6.591866       3.777613 
1 1 1 1  4  39 o 100.189 1.5987 100.829  2.1892  101.351 1.8900 99.026  2.5791 2.324898       3.197492 
1 1 1 1  4  41 f 71.207  1.8243 51.749   1.6578  73.799  1.8169 68.614  3.1639 5.184906       3.648504 
1 1 1 1  4  43 o 120.501 1.7825 145.283  2.8177  119.916 1.9169 121.086 3.0057 -1.169815      3.564901 
1 1 1 1  4  45 o 61.300  2.4838 38.481   1.7878  62.814  2.1346 59.785  4.4856 3.028862       4.967608 
1 1 1 1  4  47 o 57.624  2.4942 34.042   1.8297  59.178  2.4816 56.070  4.3273 3.107857       4.988358 
1 1 1 1  4  49 o 13.471  4.1657 -1.2223  1.5324  9.8527  4.7276 17.090  6.8603 -7.237245      8.331479 
1 1 1 1  4  51 o 16.092  4.6515 -0.2554  1.9646  18.800  6.7069 13.384  6.4470 5.416210       9.302970 
1 1 1 1  4  53 o 35.523  4.8670 14.841   2.2321  37.504  4.9373 33.543  8.3888 3.960663       9.733916 
1 1 1 1  4  55 o 21.073  5.3506 5.5274   1.9670  21.245  6.5590 20.902  8.4555 0.3422337      10.70115 
1 1 1 1  5  0  o 800.841 7.7354 6417.10  123.870 800.841 7.7354 ?       ?      0.000000       0.000000 
1 1 1 1  5  4  o 530.002 3.5435 2809.75  26.377  529.796 5.3390 530.208 4.6605 -0.4125366     7.086938 
1 1 1 1  5  6  o 793.017 5.0700 6297.10  56.680  801.407 6.8120 784.627 7.5111 16.77997       10.14003 
1 1 1 1  5  8  o 432.998 2.7681 1872.59  16.915  440.700 4.0278 425.296 3.7983 15.40387       5.536275 
1 1 1 1  5  10 o 483.095 3.0185 2333.49  20.614  476.747 4.2322 489.443 4.3050 -12.69601      6.036935 
1 1 1 1  5  12 o 137.843 1.2520 190.086  2.3994  138.075 1.5723 137.610 1.9488 0.4650421      2.503951 
1 1 1 1  5  14 o 510.742 3.6517 2636.37  24.073  521.365 3.7475 500.120 6.2686 21.24500       7.303382 
1 1 1 1  5  16 o 848.078 5.7781 7219.84  62.672  853.178 5.8598 842.978 9.9603 10.20001       11.55620 
1 1 1 1  5  18 o 503.644 3.6499 2515.24  22.923  496.080 3.5653 511.209 6.3699 -15.12881      7.299822 
1 1 1 1  5  20 o 478.277 3.3249 2278.79  20.240  474.613 3.3633 481.941 5.7366 -7.328247      6.649870 
1 1 1 1  5  22 o 84.221  1.7673 69.905   2.0761  93.659  2.5224 74.784  2.4760 18.87489       3.534576 
1 1 1 1  5  24 o 89.224  1.4575 79.446   1.6761  88.833  1.5094 89.615  2.4937 -0.7816620     2.914972 
1 1 1 1  5  26 o 122.197 1.4450 149.573  2.2902  122.593 1.5104 121.800 2.4638 0.7927094      2.889962 
1 1 1 1  5  28 o 265.110 2.1315 703.914  7.3005  265.706 2.2108 264.514 3.6450 1.192017       4.263019 
1 1 1 1  5  30 o 225.489 2.1237 508.633  9.5776  225.489 2.1237 ?       ?      ?              ?        
1 1 1 1  5  32 o 298.535 3.5586 886.360  10.817  296.184 2.5007 300.887 6.6633 -4.702942      7.117112 
1 1 1 1  5  34 o 136.908 1.7030 184.018  2.7656  133.116 1.5349 140.701 3.0405 -7.585281      3.405948 
1 1 1 1  5  36 o 111.518 1.6582 123.583  2.3944  109.883 1.7432 113.154 2.8214 -3.270889      3.316500 
1 1 1 1  5  38 o 189.407 1.8564 358.122  4.5804  188.171 1.9681 190.644 3.1483 -2.472702      3.712782 
1 1 1 1  5  40 o 160.967 1.8171 257.526  3.7297  158.569 1.8523 163.365 3.1268 -4.795975      3.634224 
1 1 1 1  5  42 o 122.507 1.6428 150.571  2.6450  122.827 1.7675 122.186 2.7696 0.6408386      3.285511 
1 1 1 1  5  44 o 54.065  2.5448 29.295   1.8389  53.487  2.8650 54.643  4.2066 -1.155918      5.089565 
1 1 1 1  5  46 o 92.917  1.9694 87.966   2.3576  95.387  2.0081 90.447  3.3885 4.940376       3.938880 
1 1 1 1  5  48 o 54.575  2.3268 30.153   1.7673  54.246  2.9426 54.904  3.6051 -0.6575775     4.653607 
1 1 1 1  5  50 o 58.080  2.6035 34.619   2.0374  57.834  2.9809 58.326  4.2694 -0.4924850     5.207056 
1 1 1 1  5  52 o 44.813  3.3796 21.309   2.0374  44.828  3.8457 44.798  5.5586 0.2978897E-01  6.759277 
1 1 1 1  5  54 o 13.633  4.4901 -2.7165  1.9503  13.088  5.6400 14.178  6.9881 -1.090510      8.980178 
1 1 1 1  5  56 o 26.913  5.9089 10.001   2.1949  25.185  6.3384 28.642  9.9743 -3.457090      11.81781 
1 1 1 1  6  3  o 1048.76 12.070 11024.31 178.971 1049.34 17.293 1048.18 16.843 1.156982       24.14001 
1 1 1 1  6  5  o 572.065 3.5160 3273.14  28.444  574.492 4.9792 569.638 4.9656 4.853943       7.032006 
1 1 1 1  6  7  o 330.433 2.3305 1090.18  10.845  325.411 3.1394 335.455 3.4452 -10.04382      4.661026 
1 1 1 1  6  9  o 537.343 3.3233 2887.15  25.232  533.129 4.5990 541.556 4.7986 -8.426758      6.646605 
1 1 1 1  6  11 o 269.011 1.8628 723.145  7.0782  264.930 2.5788 273.092 2.6888 -8.162262      3.725538 
1 1 1 1  6  13 o 444.805 3.0531 1982.33  19.113  450.880 4.0501 438.731 4.5698 12.14908       6.106267 
1 1 1 1  6  15 o 543.319 3.7737 2944.17  26.192  540.198 3.8414 546.439 6.4968 -6.241028      7.547490 
1 1 1 1  6  17 o 339.596 2.7490 1164.00  11.435  344.698 2.5563 334.495 4.8676 10.20331       5.497994 
1 1 1 1  6  19 o 404.229 3.0296 1647.98  15.516  410.560 3.0015 397.897 5.2634 12.66321       6.059103 
1 1 1 1  6  21 o 192.928 1.6780 372.441  4.1563  193.131 1.7192 192.725 2.8823 0.4059906      3.356098 
1 1 1 1  6  23 o 158.009 1.6564 247.069  3.2461  155.186 1.6046 160.831 2.8981 -5.644592      3.312700 
1 1 1 1  6  25 o 175.376 1.6758 307.178  3.6410  174.949 1.6059 175.804 2.9419 -0.8547974     3.351606 
1 1 1 1  6  27 o 315.164 2.4187 1003.17  10.047  322.158 2.5964 308.170 4.0817 13.98813       4.837488 
1 1 1 1  6  29 o 110.316 1.7255 122.193  2.5848  111.568 2.0031 109.065 2.8101 2.502815       3.450923 
1 1 1 1  6  31 o 121.497 1.5691 147.764  2.4621  121.642 1.6272 121.352 2.6834 0.2898407      3.138237 
1 1 1 1  6  33 o 221.516 2.0327 489.611  5.6082  220.387 1.9701 222.645 3.5561 -2.258713      4.065347 
1 1 1 1  6  35 o 107.773 1.5733 118.372  2.1851  111.906 1.5976 103.640 2.7107 8.265862       3.146502 
1 1 1 1  6  37 o 73.915  1.6540 55.099   1.6432  75.441  1.8620 72.390  2.7343 3.051048       3.308101 
1 1 1 1  6  39 o 101.871 1.6636 104.683  2.2321  103.653 1.7864 100.089 2.8069 3.563805       3.327158 
1 1 1 1  6  41 o 84.049  1.7727 70.826   1.9155  84.134  1.8214 83.965  3.0418 0.1694489      3.545398 
1 1 1 1  6  43 o 52.723  2.2365 27.249   1.5717  49.570  2.5762 55.877  3.6566 -6.307751      4.472984 
1 1 1 1  6  45 o 34.487  3.8306 12.598   1.7274  37.247  4.1142 31.728  6.4627 5.518717       7.661167 
1 1 1 1  6  47 o 19.126  4.9377 3.0137   1.6857  15.533  6.1341 22.720  7.7392 -7.186713      9.875340 
1 1 1 1  6  49 o 16.418  4.8021 1.2680   1.8057  14.939  6.3514 17.897  7.2042 -2.958148      9.604190 
1 1 1 1  6  51 o 46.483  3.0085 21.915   1.8784  42.779  3.5822 50.186  4.8346 -7.407585      6.017085 
1 1 1 1  6  53 o 14.796  4.7229 -0.7082  2.0587  14.063  6.2633 15.529  7.0707 -1.465479      9.445874 
1 1 1 1  6  55 o 18.830  4.9851 4.1173   1.7438  18.692  6.3190 18.968  7.7119 -0.2761707     9.970165 
1 1 1 1  7  2  o 1292.44 14.717 16733.42 380.421 ?       ?      1292.44 14.717 ?              ?        
1 1 1 1  7  6  o 377.154 2.5259 1422.67  13.472  376.790 3.5925 377.518 3.5518 -0.7284546     5.051867 
1 1 1 1  7  8  o 730.727 4.4146 5342.73  45.621  732.346 6.2512 729.107 6.2352 3.238708       8.829282 
1 1 1 1  7  10 o 478.836 3.0078 2293.58  20.367  475.810 4.2539 481.862 4.2535 -6.051758      6.015661 
1 1 1 1  7  12 o 522.914 3.2637 2735.87  24.135  522.816 4.6287 523.013 4.6025 -0.1968384     6.527433 
1 1 1 1  7  14 o 343.952 2.2822 1183.40  10.939  344.226 2.8936 343.678 3.5299 0.5485840      4.564378 
1 1 1 1  7  16 o 438.646 2.7967 1924.85  17.027  439.063 3.4902 438.230 4.3710 0.8323669      5.593499 
1 1 1 1  7  18 o 780.682 5.1879 6141.19  52.450  792.247 5.3756 769.117 8.8746 23.12964       10.37574 
1 1 1 1  7  20 o 282.184 2.2986 796.277  8.0711  282.117 2.2180 282.250 4.0267 -0.1336060     4.597155 
1 1 1 1  7  22 o 342.951 2.6446 1164.31  11.241  336.950 2.5582 348.953 4.6293 -12.00360      5.289135 
1 1 1 1  7  24 o 220.316 1.9266 484.769  5.5966  219.545 2.0940 221.087 3.2346 -1.542084      3.853221 
1 1 1 1  7  26 o 198.584 1.7131 395.350  4.3777  199.496 1.7603 197.671 2.9394 1.825134       3.426214 
1 1 1 1  7  28 o 62.830  1.7388 39.569   1.5297  69.282  2.3040 56.377  2.6049 12.90442       3.477623 
1 1 1 1  7  30 o 163.455 1.9849 264.823  3.7550  161.344 1.7017 165.567 3.5865 -4.223785      3.969741 
1 1 1 1  7  32 o 107.863 1.5286 116.445  2.1367  107.963 1.5968 107.763 2.6070 0.2006226      3.057195 
1 1 1 1  7  34 o 177.613 1.9882 314.708  4.3384  176.658 1.8795 178.566 3.5042 -1.908020      3.976411 
1 1 1 1  7  36 o 57.999  2.3551 35.045   1.6419  61.663  2.0710 54.335  4.2304 7.327614       4.710152 
1 1 1 1  7  38 o 111.415 1.5416 124.187  2.3225  111.261 1.7790 111.569 2.5181 -0.3076782     3.083145 
1 1 1 1  7  40 o 50.295  2.4639 25.185   1.6388  49.324  2.7185 51.265  4.1102 -1.940575      4.927823 
1 1 1 1  7  42 o 29.418  3.7962 9.1863   1.4835  32.622  4.1102 26.213  6.3837 6.409637       7.592460 
1 1 1 1  7  44 o 46.843  3.0567 22.405   1.9279  48.157  3.4473 45.528  5.0488 2.628353       6.113418 
1 1 1 1  7  46 o 35.726  4.4736 13.439   2.1033  36.019  4.9635 35.433  7.4443 0.5864983      8.947289 
1 1 1 1  7  48 o 85.948  2.0498 75.788   2.2714  88.623  2.0894 83.273  3.5271 5.350098       4.099511 
1 1 1 1  7  50 o 29.121  4.9551 9.9375   1.9503  32.685  4.6885 25.557  8.7310 7.127733       9.910191 
1 1 1 1  7  52 o 25.013  5.6049 7.4584   2.2695  27.577  6.3742 22.448  9.2211 5.129332       11.20975 
1 1 1 1  7  54 o 18.017  5.4452 2.5424   2.2754  16.391  6.7553 19.644  8.5421 -3.253145      10.89042 
1 1 1 1  8  1  o 321.567 2.1907 1033.79  9.9504  319.652 3.0162 323.482 3.1779 -3.830292      4.381398 
1 1 1 1  8  3  o 532.062 3.4366 2831.21  25.855  537.305 4.8722 526.820 4.8480 10.48523       6.873250 
1 1 1 1  8  5  o 822.345 4.9907 6766.67  58.036  820.106 7.0149 824.584 7.1007 -4.478333      9.981357 
1 1 1 1  8  7  o 558.798 3.4663 3123.73  27.388  559.504 4.9528 558.092 4.8509 1.411560       6.932651 
1 1 1 1  8  9  f 175.500 1.3507 308.001  3.3518  173.189 1.9171 177.810 1.9032 -4.620285      2.701380 
1 1 1 1  8  11 o 323.303 2.2101 1041.66  9.9849  329.823 3.3685 316.784 2.8621 13.03833       4.420223 
1 1 1 1  8  13 o 228.885 1.9028 522.954  6.1482  235.677 2.7363 222.094 2.6449 13.58318       3.805676 
1 1 1 1  8  15 o 1076.29 6.3692 11557.39 94.366  1063.62 7.7741 1088.95 10.091 -25.33167      12.73835 
1 1 1 1  8  17 o 423.083 2.7457 1786.16  16.203  418.058 3.5128 428.109 4.2208 -10.05106      5.491374 
1 1 1 1  8  19 o 290.698 2.3126 845.800  8.6695  291.137 2.3905 290.260 3.9596 0.8773804      4.625247 
1 1 1 1  8  21 o 563.108 3.9582 3168.20  28.400  561.588 4.0021 564.628 6.8303 -3.040588      7.916409 
1 1 1 1  8  23 o 167.335 1.6662 281.758  3.6512  169.611 1.7693 165.058 2.8239 4.553177       3.332402 
1 1 1 1  8  25 o 383.621 2.9464 1473.32  14.286  383.982 2.9266 383.260 5.1146 0.7222290      5.892701 
1 1 1 1  8  27 o 313.528 2.4647 982.375  10.002  312.722 2.5726 314.334 4.2048 -1.611633      4.929358 
1 1 1 1  8  29 o 349.112 3.7982 1208.15  15.420  343.970 3.2856 354.254 6.8491 -10.28378      7.596401 
1 1 1 1  8  31 o 91.950  1.6156 84.979   1.9454  92.898  1.7183 91.002  2.7364 1.895378       3.231154 
1 1 1 1  8  33 o 84.609  1.7178 71.418   1.8125  84.172  1.6688 85.045  3.0031 -0.8725967     3.435682 
1 1 1 1  8  35 o 112.103 1.6261 126.146  2.3264  112.753 1.6422 111.452 2.8072 1.300652       3.252258 
1 1 1 1  8  37 o 95.766  1.7574 92.831   2.1851  98.026  1.8238 93.507  3.0045 4.519150       3.514735 
1 1 1 1  8  39 o 14.876  4.4105 0.2189   1.5324  12.513  5.5147 17.240  6.8847 -4.726734      8.821017 
1 1 1 1  8  41 o 14.939  4.3359 0.8106   1.4241  14.175  5.6673 15.703  6.5638 -1.528780      8.671893 
1 1 1 1  8  43 o 35.379  3.5076 12.309   1.5726  33.606  3.6100 37.153  6.0151 -3.546791      7.015224 
1 1 1 1  8  45 o 20.746  4.5108 4.0108   1.6648  25.207  5.7050 16.285  6.9887 8.921717       9.021572 
1 1 1 1  8  47 o 55.228  2.7664 31.464   1.9646  56.898  2.8055 53.558  4.7687 3.339325       5.532713 
1 1 1 1  8  49 o 26.694  4.5997 8.1496   1.7414  30.034  5.5215 23.354  7.3580 6.680099       9.199305 
1 1 1 1  8  51 o 31.511  4.9932 11.713   2.1240  32.462  5.9239 30.561  8.0397 1.901403       9.986420 
1 1 1 1  8  53 o 34.184  4.2426 12.758   1.8125  31.827  4.4136 36.541  7.2470 -4.714310      8.485209 
1 1 1 1  8  55 o 15.665  5.0201 0.5025   2.1991  14.597  6.2828 16.733  7.8315 -2.136420      10.04023 
1 1 1 1  9  0  o 327.079 3.4757 1070.26  22.731  327.079 3.4757 ?       ?      0.000000       0.000000 
1 1 1 1  9  2  o 340.243 2.3419 1157.31  11.262  336.284 3.2658 344.201 3.3576 -7.916565      4.683889 
1 1 1 1  9  4  o 801.932 4.8469 6428.21  54.874  787.974 6.6770 815.891 7.0276 -27.91785      9.693778 
1 1 1 1  9  6  o 594.148 3.7616 3531.97  31.603  594.505 5.3701 593.791 5.2690 0.7135620      7.523274 
1 1 1 1  9  8  o 128.033 1.3605 164.142  2.4545  126.287 2.0224 129.779 1.8204 -3.491791      2.721008 
1 1 1 1  9  10 o 279.220 1.9656 780.075  7.7566  276.246 2.8430 282.193 2.7152 -5.946838      3.931248 
1 1 1 1  9  12 o 181.171 1.6078 327.470  4.0983  184.782 2.3843 177.559 2.1576 7.222992       3.215578 
1 1 1 1  9  14 o 644.690 3.8692 4156.72  35.269  636.270 5.4591 653.110 5.4845 -16.83997      7.738348 
1 1 1 1  9  16 o 257.903 1.8386 662.930  6.5610  254.316 2.2847 261.491 2.8813 -7.174576      3.677208 
1 1 1 1  9  18 o 498.176 3.1441 2486.81  21.862  502.936 3.9991 493.415 4.8527 9.520813       6.288191 
1 1 1 1  9  20 o 688.526 4.2213 4753.93  40.271  694.843 5.2195 682.209 6.6358 12.63391       8.442540 
1 1 1 1  9  22 o 452.870 3.3301 2054.66  19.144  453.913 3.3338 451.826 5.7657 2.087616       6.660157 
1 1 1 1  9  24 o 178.639 1.6727 319.547  3.9102  179.094 1.7826 178.184 2.8309 0.9100494      3.345387 
1 1 1 1  9  26 o 328.634 2.5189 1082.06  10.702  329.520 2.6159 327.748 4.3054 1.771332       5.037805 
1 1 1 1  9  28 o 229.866 2.1125 530.293  6.7064  232.633 2.5800 227.098 3.3458 5.535095       4.224998 
1 1 1 1  9  30 o 221.337 2.4095 489.137  6.7054  220.310 2.3765 222.365 4.1923 -2.054688      4.819040 
1 1 1 1  9  32 o 235.826 2.2802 557.385  6.6315  236.333 2.1614 235.320 4.0158 1.013474       4.560467 
1 1 1 1  9  34 o 106.858 1.7292 113.696  2.2135  106.049 1.5654 107.667 3.0838 -1.617424      3.458366 
1 1 1 1  9  36 o 90.835  1.8740 81.188   1.9989  88.595  1.6576 93.075  3.3615 -4.480103      3.747942 
1 1 1 1  9  38 o 172.596 1.9120 297.692  4.2420  171.819 1.9696 173.372 3.2777 -1.552979      3.823972 
1 1 1 1  9  40 o 42.639  2.9114 19.345   1.5975  48.661  2.8868 36.617  5.0569 12.04375       5.822825 
1 1 1 1  9  42 o 92.819  1.9778 85.309   2.3083  90.675  1.9717 94.963  3.4291 -4.287636      3.955530 
1 1 1 1  9  44 o 59.059  2.4161 35.194   1.9052  59.209  2.6960 58.910  4.0103 0.2984619      4.832268 
1 1 1 1  9  46 o 38.121  3.4319 14.844   1.8429  36.347  4.7431 39.895  4.9614 -3.548962      6.863856 
1 1 1 1  9  48 o 34.666  3.7480 12.183   1.7251  28.367  5.1410 40.966  5.4552 -12.59863      7.495980 
1 1 1 1  9  50 o 22.705  5.2976 5.5406   1.8784  19.324  6.6000 26.085  8.2884 -6.760555      10.59518 
1 1 1 1  9  52 o 22.725  5.1671 6.1296   1.9702  25.373  6.6961 20.077  7.8712 5.296043       10.33413 
1 1 1 1  9  54 o 20.739  5.2612 5.3015   2.0123  22.230  6.8194 19.247  8.0135 2.983393       10.52235 
1 1 1 1  10 1  o 459.786 3.0002 2114.33  19.495  461.831 4.3274 457.742 4.1568 4.089081       6.000437 
1 1 1 1  10 3  o 467.707 3.0215 2188.28  19.985  465.380 4.2807 470.034 4.2654 -4.654144      6.043013 
1 1 1 1  10 5  o 236.964 1.8100 561.457  6.0631  235.240 2.5243 238.687 2.5948 -3.447556      3.620084 
1 1 1 1  10 7  o 152.776 1.3448 233.328  2.9020  153.862 1.9504 151.689 1.8521 2.172348       2.689685 
1 1 1 1  10 9  o 476.742 3.0494 2273.69  20.560  475.979 4.3061 477.505 4.3191 -1.525635      6.098888 
1 1 1 1  10 11 o 1090.27 6.4137 11900.54 98.850  1087.65 9.2284 1092.89 8.9096 -5.235962      12.82750 
1 1 1 1  10 13 o 156.039 1.7367 243.270  3.8214  157.675 2.5512 154.403 2.3571 3.272476       3.473409 
1 1 1 1  10 15 o 347.845 2.2324 1209.42  10.973  343.542 3.1039 352.148 3.2093 -8.606659      4.464703 
1 1 1 1  10 17 f 605.849 3.7270 3678.94  31.266  610.828 4.5994 600.870 5.8657 9.957947       7.453931 
1 1 1 1  10 19 o 288.965 2.2003 835.181  8.9300  289.013 2.8941 288.917 3.3150 0.9567261E-01  4.400585 
1 1 1 1  10 21 o 209.437 1.7109 438.857  4.9047  209.671 2.0403 209.203 2.7469 0.4678650      3.421732 
1 1 1 1  10 23 o 212.843 1.8984 448.994  5.1323  209.213 1.9227 216.473 3.2740 -7.260300      3.796864 
1 1 1 1  10 25 o 42.197  2.1004 17.797   1.1291  42.126  2.1220 42.268  3.6254 -0.1420059     4.200764 
1 1 1 1  10 27 o 192.488 1.7913 372.710  4.6662  195.636 2.0562 189.340 2.9339 6.295990       3.582649 
1 1 1 1  10 29 o 176.101 2.3809 306.115  4.8287  172.793 2.0324 179.409 4.3063 -6.615891      4.761800 
1 1 1 1  10 31 o 155.015 1.8020 240.957  3.5069  155.618 1.7643 154.412 3.1426 1.206329       3.604023 
1 1 1 1  10 33 o 14.722  4.2819 0.3320   1.3167  10.570  4.7202 18.875  7.1455 -8.304962      8.563819 
1 1 1 1  10 35 o 63.186  1.6548 39.904   1.4436  62.791  2.0338 63.581  2.6110 -0.7905846     3.309601 
1 1 1 1  10 37 o 123.734 1.7669 152.995  2.8053  123.283 1.8127 124.186 3.0335 -0.9024963     3.533849 
1 1 1 1  10 39 o 115.717 1.7873 133.686  2.6516  114.897 1.8339 116.536 3.0683 -1.638763      3.574527 
1 1 1 1  10 41 o 33.875  4.1038 12.122   1.6031  35.458  3.4214 32.291  7.4605 3.166920       8.207613 
1 1 1 1  10 43 o 66.015  2.0993 43.058   1.8590  63.000  2.4324 69.031  3.4223 -6.030704      4.198699 
1 1 1 1  10 45 o 28.026  4.4851 8.7915   1.8164  34.664  4.6049 21.387  7.6980 13.27683       8.970214 
1 1 1 1  10 47 o 48.812  2.8254 24.230   1.9218  47.500  3.6294 50.124  4.3311 -2.623787      5.650712 
1 1 1 1  10 49 o 16.982  4.9264 0.7127   1.9052  12.054  5.5806 21.910  8.1199 -9.855480      9.852699 
1 1 1 1  10 51 f 25.079  5.7196 7.4806   2.2230  25.582  6.6707 24.575  9.2928 1.007322       11.43912 
1 1 1 1  10 53 o 16.559  5.0499 0.9365   2.1283  16.746  6.5606 16.372  7.6789 0.3740768      10.09988 
1 1 1 1  11 0  o 471.443 4.3483 2223.66  40.992  471.443 4.3483 ?       ?      0.000000       0.000000 
1 1 1 1  11 2  o 118.932 1.2719 140.620  2.1156  122.957 1.9214 114.906 1.6670 8.051041       2.543751 
1 1 1 1  11 4  o 350.182 2.4447 1225.47  12.063  353.504 3.6124 346.861 3.2950 6.643524       4.889480 
1 1 1 1  11 6  o 498.433 3.2522 2485.43  22.916  499.262 4.6680 497.604 4.5295 1.657227       6.504367 
1 1 1 1  11 8  o 447.000 2.9548 1998.83  18.676  443.428 4.2190 450.571 4.1379 -7.142578      5.909515 
1 1 1 1  11 10 o 393.273 2.6348 1546.84  14.653  396.934 3.7158 389.613 3.7365 7.321381       5.269627 
1 1 1 1  11 12 o 366.096 2.5417 1339.13  13.116  369.861 3.7462 362.332 3.4363 7.528717       5.083491 
1 1 1 1  11 14 o 491.642 3.1818 2416.92  22.116  485.365 4.4728 497.919 4.5267 -12.55426      6.363673 
1 1 1 1  11 16 o 466.261 2.9290 2173.86  19.308  460.293 4.1199 472.230 4.1645 -11.93723      5.858026 
1 1 1 1  11 18 o 788.896 4.7058 6221.28  51.369  784.992 5.8239 792.799 7.3934 -7.807373      9.411675 
1 1 1 1  11 20 o 280.389 2.0385 785.617  7.8574  279.419 2.4679 281.359 3.2452 -1.939728      4.076989 
1 1 1 1  11 22 o 300.487 2.1331 904.947  8.9142  303.269 2.6739 297.704 3.3244 5.565216       4.266273 
1 1 1 1  11 24 o 301.922 2.4449 912.802  9.7815  302.517 2.6805 301.326 4.0896 1.190857       4.889812 
1 1 1 1  11 26 o 247.772 2.1182 616.090  6.9364  249.541 2.3028 246.004 3.5558 3.537003       4.236403 
1 1 1 1  11 28 o 146.973 2.0662 217.926  3.4265  148.573 1.6761 145.373 3.7773 3.200089       4.132426 
1 1 1 1  11 30 o 142.881 1.7786 205.669  3.2968  144.956 1.8500 140.806 3.0382 4.150543       3.557151 
1 1 1 1  11 32 o 21.240  4.0575 4.6884   1.3135  24.815  4.8028 17.665  6.5411 7.150665       8.114966 
1 1 1 1  11 34 o 67.144  1.8248 45.262   1.6192  67.589  1.9838 66.700  3.0633 0.8893814      3.649581 
1 1 1 1  11 36 o 60.582  2.0185 37.038   1.6432  61.863  2.2707 59.301  3.3378 2.561913       4.036953 
1 1 1 1  11 38 o 81.272  1.8230 66.704   1.9714  82.913  2.0022 79.632  3.0469 3.280960       3.645916 
1 1 1 1  11 40 o 18.687  5.1075 2.3731   1.6580  16.092  5.8363 21.281  8.3835 -5.188938      10.21494 
1 1 1 1  11 42 o 57.495  2.8381 33.278   1.7916  57.549  2.2190 57.442  5.2244 0.1070595      5.676104 
1 1 1 1  11 44 o 73.021  2.1387 53.131   2.0507  71.311  2.3280 74.732  3.5885 -3.420937      4.277463 
1 1 1 1  11 46 o 59.293  2.6104 35.756   1.9503  59.550  2.5733 59.037  4.5424 0.5126114      5.220711 
1 1 1 1  11 48 o 51.152  3.1510 26.778   1.9988  50.185  3.0535 52.120  5.5128 -1.934441      6.302013 
1 1 1 1  11 50 o 52.528  2.7864 28.645   1.9714  51.870  3.2005 53.186  4.5620 -1.315926      5.572711 
1 1 1 1  11 52 o 22.507  5.3415 5.9381   1.8437  21.103  6.2320 23.911  8.6768 -2.807999      10.68292 
1 1 1 1  11 54 o 22.256  5.5332 6.5728   2.1033  19.029  7.0614 25.483  8.5206 -6.453259      11.06632 
1 1 1 1  12 1  o 641.916 4.1151 4123.07  37.334  643.950 5.9294 639.883 5.7077 4.067078       8.230176 
1 1 1 1  12 3  o 500.202 3.2495 2503.06  22.985  500.114 4.5706 500.291 4.6201 -0.1763916     6.498926 
1 1 1 1  12 5  o 368.663 2.6566 1359.81  13.778  367.801 3.9755 369.525 3.5249 -1.724152      5.313125 
1 1 1 1  12 7  o 652.591 4.1823 4257.16  38.539  660.764 6.0684 644.418 5.7567 16.34631       8.364531 
1 1 1 1  12 9  o 482.172 3.1508 2323.89  21.461  487.830 4.5549 476.515 4.3548 11.31461       6.301688 
1 1 1 1  12 11 o 460.097 3.0239 2118.02  19.661  456.397 4.3789 463.797 4.1714 -7.399872      6.047733 
1 1 1 1  12 13 o 621.859 3.9179 3863.66  34.351  630.297 5.7540 613.421 5.3190 16.87671       7.835773 
1 1 1 1  12 15 o 784.283 4.6458 6155.02  51.527  782.027 6.6053 786.539 6.5349 -4.512634      9.291646 
1 1 1 1  12 17 o 346.993 2.4086 1202.83  11.771  350.963 3.5658 343.023 3.2388 7.939911       4.817170 
1 1 1 1  12 19 o 208.172 1.7855 432.535  5.1727  206.106 2.2615 210.238 2.7637 -4.132233      3.571064 
1 1 1 1  12 21 o 489.717 3.2364 2405.80  21.941  494.803 3.9874 484.631 5.0987 10.17191       6.472758 
1 1 1 1  12 23 o 518.278 3.2993 2686.05  23.704  515.939 4.1087 520.617 5.1633 -4.677795      6.598563 
1 1 1 1  12 25 o 340.654 2.4008 1163.59  11.297  343.392 2.9379 337.917 3.7980 5.475586       4.801617 
1 1 1 1  12 27 o 199.168 1.8715 398.733  5.1174  202.516 2.2385 195.819 2.9998 6.697845       3.742996 
1 1 1 1  12 29 o 77.516  1.8613 60.717   1.7962  78.848  1.7815 76.185  3.2686 2.663559       3.722582 
1 1 1 1  12 31 o 147.778 1.6864 219.589  3.2295  149.292 1.7535 146.264 2.8812 3.027756       3.372846 
1 1 1 1  12 33 o 81.329  1.7411 66.103   1.8297  81.074  1.8114 81.584  2.9740 -0.5107040     3.482211 
1 1 1 1  12 35 o 165.050 1.7801 274.278  3.8974  167.317 1.9462 162.784 2.9810 4.532928       3.560111 
1 1 1 1  12 37 o 147.314 1.7484 214.943  3.2673  144.302 1.7699 150.326 3.0157 -6.024521      3.496719 
1 1 1 1  12 39 o 93.526  1.7557 86.671   2.1044  91.467  1.8150 95.584  3.0060 -4.116676      3.511444 
1 1 1 1  12 41 o 58.070  2.5927 33.334   1.8978  56.301  2.6084 59.840  4.4815 -3.538620      5.185331 
1 1 1 1  12 43 o 38.842  3.9120 16.312   1.8841  43.108  3.7029 34.577  6.8922 8.531586       7.823899 
1 1 1 1  12 45 o 34.842  4.3807 14.202   1.9050  43.405  3.8247 26.280  7.8824 17.12447       8.761333 
1 1 1 1  12 47 o 50.721  2.8311 25.972   1.8973  48.390  3.1668 53.053  4.6938 -4.662491      5.662161 
1 1 1 1  12 49 f 30.008  4.7555 10.344   1.9865  33.328  5.3644 26.689  7.8538 6.638622       9.511016 
1 1 1 1  12 51 o 16.263  4.8148 1.3111   1.9070  17.449  6.9108 15.078  6.7061 2.370571       9.629700 
1 1 1 1  12 53 o 16.470  5.2280 0.5999   2.2230  12.552  5.8066 20.388  8.6954 -7.835957      10.45593 
1 1 1 1  13 0  o 436.156 3.9973 1903.00  34.862  436.156 3.9973 ?       ?      0.000000       0.000000 
1 1 1 1  13 2  o 90.013  1.3295 81.027   1.6914  89.977  1.9160 90.048  1.8436 -0.7109070E-01 2.658923 
1 1 1 1  13 4  o 572.152 3.7558 3272.46  30.363  564.174 5.2174 580.131 5.4040 -15.95728      7.511641 
1 1 1 1  13 6  o 1125.87 6.7043 12682.54 106.694 1109.23 9.3885 1142.51 9.5733 -33.28394      13.40865 
1 1 1 1  13 8  o 1062.87 6.2956 11303.56 94.561  1070.40 9.0729 1055.35 8.7304 15.05188       12.59119 
1 1 1 1  13 10 o 573.506 3.6806 3289.29  29.832  570.248 5.1058 576.763 5.3028 -6.515381      7.361291 
1 1 1 1  13 12 o 662.789 3.9859 4394.91  37.342  661.556 5.7427 664.021 5.5290 -2.465576      7.971738 
1 1 1 1  13 14 o 634.968 4.2035 4036.83  37.479  631.768 6.3470 638.169 5.5129 -6.401245      8.406904 
1 1 1 1  13 16 o 330.028 2.2196 1088.99  10.304  331.069 3.3172 328.988 2.9500 2.081329       4.439219 
1 1 1 1  13 18 o 279.490 1.9570 781.599  7.7127  278.356 2.8902 280.623 2.6394 -2.267090      3.914041 
1 1 1 1  13 20 o 400.541 2.8309 1604.16  15.602  399.560 3.4357 401.523 4.5003 -1.962891      5.661881 
1 1 1 1  13 22 o 397.641 2.7660 1585.75  15.412  403.369 3.5774 391.913 4.2196 11.45605       5.532021 
1 1 1 1  13 24 o 120.137 1.3386 144.487  2.2555  120.856 1.7434 119.417 2.0318 1.438759       2.677275 
1 1 1 1  13 26 o 60.676  1.9349 36.815   1.6577  60.099  2.6561 61.253  2.8145 -1.154663      3.869891 
1 1 1 1  13 28 o 125.879 2.4958 159.904  3.1016  126.981 1.6594 124.778 4.7077 2.202415       4.991631 
1 1 1 1  13 30 o 307.097 2.7915 937.418  10.810  302.851 2.7830 311.342 4.8399 -8.490234      5.582992 
1 1 1 1  13 32 o 160.508 1.8270 257.649  3.7631  160.249 1.8727 160.767 3.1376 -0.5181580     3.653958 
1 1 1 1  13 34 o 61.423  2.0909 37.799   1.7308  61.444  2.3901 61.403  3.4315 0.4001999E-01  4.181843 
1 1 1 1  13 36 o 122.430 1.6496 149.446  2.6919  121.133 1.8449 123.727 2.7351 -2.593964      3.299167 
1 1 1 1  13 38 o 16.795  4.2712 1.8794   1.4241  19.356  5.8081 14.234  6.2640 5.121665       8.542392 
1 1 1 1  13 40 o 45.805  3.0725 21.653   1.7618  47.848  2.9358 43.763  5.3984 4.085739       6.145001 
1 1 1 1  13 42 o 17.980  4.7774 2.5245   1.6503  18.253  6.5654 17.708  6.9420 0.5444145      9.554841 
1 1 1 1  13 44 o 20.149  4.9931 2.8996   1.9831  23.366  6.3805 16.933  7.6821 6.433357       9.986277 
1 1 1 1  13 46 o 36.466  3.3455 13.792   1.7216  36.517  4.5462 36.416  4.9094 0.1001358      6.691020 
1 1 1 1  13 48 o 23.752  5.1816 6.3850   1.8623  22.529  6.6402 24.975  7.9564 -2.445894      10.36326 
1 1 1 1  13 50 o 31.105  4.9684 11.524   2.1004  32.793  5.8577 29.417  8.0268 3.376055       9.936853 
1 1 1 1  13 52 o 25.759  5.4119 8.2247   2.1246  19.671  7.0898 31.847  8.1785 -12.17603      10.82374 
1 1 1 1  14 1  o 377.656 2.7223 1426.54  14.501  377.836 3.6840 377.476 4.0089 0.3603516      5.444520 
1 1 1 1  14 3  o 441.696 3.0468 1952.77  18.950  438.649 4.5415 444.744 4.0629 -6.094940      6.093680 
1 1 1 1  14 5  o 492.151 3.2980 2422.72  22.954  490.737 4.6710 493.565 4.6572 -2.827911      6.596024 
1 1 1 1  14 7  o 702.070 4.4213 4927.85  43.841  710.094 6.4022 694.046 6.0994 16.04779       8.842566 
1 1 1 1  14 9  o 379.822 2.5917 1442.28  13.905  382.586 3.7551 377.059 3.5730 5.526764       5.183350 
1 1 1 1  14 11 o 312.229 2.2633 974.238  9.9754  315.643 3.2973 308.816 3.1014 6.826599       4.526658 
1 1 1 1  14 13 o 321.738 2.2105 1035.36  10.054  321.450 3.1781 322.027 3.0733 -0.5772705     4.421036 
1 1 1 1  14 15 o 185.813 1.5970 345.271  4.1527  185.914 2.4384 185.712 2.0629 0.2027283      3.193967 
1 1 1 1  14 17 o 372.125 2.4822 1385.66  13.054  369.832 3.5911 374.418 3.4277 -4.586304      4.964364 
1 1 1 1  14 19 o 281.912 2.3089 795.305  9.1785  282.936 3.1143 280.888 3.4097 2.047577       4.617892 
1 1 1 1  14 21 o 665.312 4.2035 4428.12  38.604  662.008 5.1601 668.616 6.6370 -6.608643      8.406900 
1 1 1 1  14 23 o 307.446 2.2072 945.119  9.4294  306.439 2.7712 308.454 3.4362 -2.015320      4.414445 
1 1 1 1  14 25 o 109.016 1.3269 118.961  2.0412  110.071 1.7983 107.961 1.9517 2.110474       2.653842 
1 1 1 1  14 27 o 50.989  1.7702 25.955   1.2738  49.112  2.4702 52.866  2.5363 -3.753403      3.540451 
1 1 1 1  14 29 f 163.644 1.9198 266.557  3.8968  162.160 1.8506 165.127 3.3641 -2.966476      3.839501 
1 1 1 1  14 31 o 38.445  2.4893 14.874   1.3287  39.282  3.0884 37.608  3.9049 1.673767       4.978601 
1 1 1 1  14 33 f 185.156 1.9738 342.848  4.5841  184.717 1.9357 185.594 3.4403 -0.8768921     3.947513 
1 1 1 1  14 35 o 109.794 1.5360 120.729  2.3193  109.984 1.8577 109.604 2.4467 0.3802338      3.072081 
1 1 1 1  14 37 o 179.648 1.8497 323.703  4.3977  179.968 2.0223 179.329 3.0976 0.6383972      3.699336 
1 1 1 1  14 39 o 17.642  4.9525 1.5055   1.5727  12.730  5.3422 22.553  8.3408 -9.823223      9.904963 
1 1 1 1  14 41 o 100.061 1.8847 98.032   2.2986  96.121  1.7935 104.002 3.3153 -7.881042      3.769313 
1 1 1 1  14 43 o 85.470  2.1252 73.062   2.1991  84.564  1.9631 86.377  3.7700 -1.812561      4.250488 
1 1 1 1  14 45 o 44.472  2.7075 20.242   1.6866  45.812  3.4843 43.131  4.1450 2.681095       5.414978 
1 1 1 1  14 47 o 23.052  5.0629 5.9249   1.7724  22.871  6.2465 23.232  7.9695 -0.3606510     10.12578 
1 1 1 1  14 49 o 42.247  3.1499 18.759   1.8701  40.486  4.2582 44.009  4.6427 -3.523098      6.299760 
1 1 1 1  14 51 o 14.571  4.5118 0.2166   1.7855  15.036  6.4350 14.107  6.3258 0.9294939      9.023602 
1 1 1 1  14 53 o 16.733  5.0134 2.0210   2.1246  17.714  6.9424 15.752  7.2347 1.961520       10.02687 
1 1 1 1  15 0  o 1337.82 10.993 17913.76 294.095 1337.82 10.993 ?       ?      0.000000       0.000000 
1 1 1 1  15 2  o 887.446 5.3316 7879.82  66.905  881.813 7.4942 893.080 7.5856 -11.26721      10.66325 
1 1 1 1  15 4  o 460.522 3.0587 2120.99  19.918  463.682 4.3514 457.362 4.2999 6.319763       6.117485 
1 1 1 1  15 6  o 642.274 4.0925 4125.59  37.117  645.247 5.9571 639.300 5.6130 5.947021       8.184908 
1 1 1 1  15 8  o 423.658 2.8512 1793.04  17.037  429.637 4.1761 417.679 3.8829 11.95743       5.702322 
1 1 1 1  15 10 o 172.060 1.6797 296.099  4.0854  171.596 2.4186 172.524 2.3316 -0.9282379     3.359493 
1 1 1 1  15 12 o 323.893 2.3985 1047.40  10.937  329.132 3.5501 318.654 3.2260 10.47839       4.796963 
1 1 1 1  15 14 o 228.729 1.7873 523.320  5.7741  228.212 2.6020 229.246 2.4510 -1.034836      3.574619 
1 1 1 1  15 16 o 350.320 2.4140 1228.56  11.918  347.699 3.5809 352.941 3.2383 -5.242462      4.827993 
1 1 1 1  15 18 o 242.577 1.8915 588.965  6.4731  240.614 2.7863 244.541 2.5588 -3.926483      3.783008 
1 1 1 1  15 20 o 410.519 2.7498 1684.98  15.643  408.953 3.4193 412.085 4.3075 -3.131866      5.499617 
1 1 1 1  15 22 o 198.800 1.7124 395.212  4.7343  198.454 2.1556 199.145 2.6612 -0.6910095     3.424708 
1 1 1 1  15 24 o 138.054 1.4437 190.495  2.7862  137.410 1.8587 138.697 2.2097 -1.286514      2.887486 
1 1 1 1  15 26 o 274.932 2.3698 759.146  8.8289  277.595 2.7372 272.269 3.8695 5.325775       4.739697 
1 1 1 1  15 28 o 132.199 1.5804 175.236  2.9149  133.727 2.0054 130.671 2.4432 3.055618       3.160798 
1 1 1 1  15 30 o 163.871 1.8366 266.486  3.8664  161.124 1.9021 166.618 3.1424 -5.494019      3.673219 
1 1 1 1  15 32 o 58.547  2.0096 34.175   1.6380  57.250  2.5652 59.845  3.0941 -2.595276      4.019161 
1 1 1 1  15 34 o 168.064 1.7582 281.481  3.8620  166.366 1.8806 169.763 2.9713 -3.396652      3.516444 
1 1 1 1  15 36 o 149.121 1.8424 222.221  3.6035  148.190 1.9820 150.051 3.1063 -1.860870      3.684779 
1 1 1 1  15 38 o 21.906  5.1076 4.6875   1.8164  21.774  6.6885 22.039  7.7211 -0.2653255     10.21528 
1 1 1 1  15 40 o 62.475  2.3092 39.606   1.7962  63.539  2.2108 61.411  4.0549 2.128082       4.618410 
1 1 1 1  15 42 o 39.313  3.8784 17.062   1.7618  44.012  3.1917 34.614  7.0697 9.398285       7.756770 
1 1 1 1  15 44 o 70.872  2.5040 50.997   2.1692  71.139  2.3336 70.606  4.4312 0.5322952      5.008090 
1 1 1 1  15 46 o 30.589  4.4662 10.329   1.8398  31.751  5.0275 29.427  7.3832 2.324053       8.932355 
1 1 1 1  15 48 o 18.160  5.1951 2.5717   2.0354  17.646  6.9354 18.674  7.7368 -1.028208      10.39029 
1 1 1 1  15 50 o 36.402  4.9038 16.341   2.3003  42.283  4.6812 30.520  8.6183 11.76388       9.807566 
1 1 1 1  15 52 o 15.289  4.7752 0.5149   1.9500  12.459  5.7385 18.119  7.6340 -5.659846      9.550303 
1 1 1 1  16 1  o 946.702 5.6442 8969.33  75.562  949.640 8.0213 943.764 7.9427 5.875671       11.28841 
1 1 1 1  16 3  o 796.078 4.7727 6341.37  53.730  798.726 6.7070 793.429 6.7920 5.296509       9.545427 
1 1 1 1  16 5  o 687.138 4.2843 4724.16  41.628  685.973 6.1154 688.302 6.0019 -2.328552      8.568577 
1 1 1 1  16 7  o 608.975 3.8296 3710.40  32.978  603.094 5.4524 614.856 5.3792 -11.76245      7.659279 
1 1 1 1  16 9  o 545.271 3.5735 2973.66  27.524  548.407 5.1811 542.136 4.9230 6.271912       7.147016 
1 1 1 1  16 11 o 701.304 4.3080 4920.18  42.661  705.740 6.2698 696.867 5.9098 8.872864       8.616034 
1 1 1 1  16 13 o 148.747 1.5176 221.224  3.1912  147.374 2.1230 150.120 2.1692 -2.746429      3.035168 
1 1 1 1  16 15 o 509.491 3.2306 2597.99  23.273  505.405 4.6239 513.578 4.5130 -8.173920      6.461210 
1 1 1 1  16 17 o 72.542  1.5878 52.382   1.6125  74.609  2.3963 70.475  2.0838 4.133957       3.175578 
1 1 1 1  16 19 o 161.323 1.5317 260.080  3.4444  162.051 2.3641 160.594 1.9482 1.456665       3.063384 
1 1 1 1  16 21 o 277.640 2.1564 770.991  8.2476  277.225 2.6256 278.055 3.4215 -0.8295288     4.312869 
1 1 1 1  16 23 o 272.676 2.0192 745.820  7.7419  278.562 2.6589 266.790 3.0395 11.77158       4.038329 
1 1 1 1  16 25 o 141.459 1.7262 199.890  3.3298  140.705 2.0421 142.212 2.7837 -1.507538      3.452363 
1 1 1 1  16 27 o 120.626 1.8951 146.292  3.0442  122.047 2.0927 119.206 3.1602 2.841057       3.790291 
1 1 1 1  16 29 o 144.708 1.7513 209.960  3.5745  148.791 2.3602 140.624 2.5881 8.167328       3.502681 
1 1 1 1  16 31 o 53.945  2.3356 29.350   1.7274  55.203  2.7760 52.688  3.7568 2.514889       4.671134 
1 1 1 1  16 33 o 46.468  3.1581 21.326   1.9155  44.865  3.4156 48.071  5.3130 -3.206238      6.316152 
1 1 1 1  16 35 o 138.593 1.7884 191.397  3.1985  137.073 1.8633 140.113 3.0532 -3.039810      3.576870 
1 1 1 1  16 37 o 30.010  3.9152 9.7235   1.5480  34.706  4.0475 25.314  6.7032 9.391556       7.830386 
1 1 1 1  16 39 o 71.418  2.2989 51.366   2.1655  71.806  2.4898 71.030  3.8654 0.7760010      4.597835 
1 1 1 1  16 41 o 162.645 1.9344 266.674  4.0524  163.626 1.9901 161.664 3.3176 1.962250       3.868766 
1 1 1 1  16 43 o 80.247  2.0883 65.098   2.2566  80.510  2.3792 79.984  3.4326 0.5255508      4.176561 
1 1 1 1  16 45 o 20.819  4.9037 4.4787   1.7787  23.606  6.7130 18.033  7.1499 5.572674       9.807379 
1 1 1 1  16 47 o 41.227  3.5143 18.006   1.9500  41.641  3.9867 40.812  5.7886 0.8283997      7.028661 
1 1 1 1  16 49 o 19.026  4.8920 3.6675   1.7923  21.155  6.7229 16.897  7.1083 4.258377       9.783923 
1 1 1 1  16 51 o 14.275  4.5092 -0.1916  1.8164  11.871  5.5281 16.680  7.1255 -4.809091      9.018431 
1 1 1 1  17 0  o 456.086 4.5789 2081.14  41.758  456.086 4.5789 ?       ?      0.000000       0.000000 
1 1 1 1  17 2  o 380.860 2.7269 1451.05  14.684  379.216 3.9063 382.503 3.8060 -3.287598      5.453848 
1 1 1 1  17 4  o 226.007 1.9686 510.765  6.2813  226.641 2.8736 225.372 2.6915 1.269073       3.937186 
1 1 1 1  17 6  o 185.367 1.8272 342.919  4.7675  188.809 2.7054 181.924 2.4568 6.885910       3.654463 
1 1 1 1  17 8  o 420.734 2.7700 1770.60  16.453  421.283 4.0467 420.185 3.7838 1.098114       5.540086 
1 1 1 1  17 10 o 156.254 1.7334 243.800  3.8214  159.399 2.5236 153.109 2.3771 6.290359       3.466827 
1 1 1 1  17 12 o 555.689 3.5246 3091.28  27.656  553.217 5.1476 558.161 4.8160 -4.944031      7.049216 
1 1 1 1  17 14 o 217.301 1.9366 471.608  5.8942  219.323 2.9404 215.278 2.5211 4.044846       3.873170 
1 1 1 1  17 16 o 259.178 1.9628 671.874  7.1592  259.468 2.9284 258.887 2.6143 0.5810242      3.925567 
1 1 1 1  17 18 o 378.927 2.5743 1437.01  13.787  378.046 3.7157 379.809 3.5640 -1.762451      5.148637 
1 1 1 1  17 20 o 98.981  1.4297 98.593   1.9608  96.270  2.2550 101.693 1.7580 -5.423943      2.859355 
1 1 1 1  17 22 o 130.861 1.4171 171.407  2.6116  131.620 1.8919 130.103 2.1103 1.516937       2.834232 
1 1 1 1  17 24 o 130.775 1.6722 171.094  2.9116  130.741 1.8558 130.809 2.7823 -0.6869507E-01 3.344421 
1 1 1 1  17 26 o 82.245  1.5954 67.664   1.8429  82.093  2.1000 82.397  2.4022 -0.3040161     3.190735 
1 1 1 1  17 28 o 84.383  1.7120 71.195   2.0412  86.765  2.4285 82.002  2.4138 4.762688       3.424021 
1 1 1 1  17 30 o 114.984 1.5539 132.486  2.5185  116.405 2.0844 113.564 2.3052 2.840446       3.107820 
1 1 1 1  17 32 o 33.344  2.9260 11.365   1.3409  37.939  3.5342 28.748  4.6642 9.191618       5.851960 
1 1 1 1  17 34 o 79.493  1.7921 62.821   1.8784  78.082  1.9626 80.904  2.9990 -2.821945      3.584106 
1 1 1 1  17 36 o 16.219  4.5311 1.5218   1.5218  15.553  6.1366 16.885  6.6683 -1.331439      9.062197 
1 1 1 1  17 38 o 85.086  1.8507 71.122   2.0691  81.174  2.0451 88.997  3.0850 -7.822899      3.701332 
1 1 1 1  17 40 o 64.358  2.5347 42.030   2.2123  65.491  2.9248 63.224  4.1406 2.266911       5.069462 
1 1 1 1  17 42 o 24.145  4.5874 6.2922   1.7414  29.360  5.6379 18.930  7.2380 10.42999       9.174703 
1 1 1 1  17 44 o 57.767  2.4924 34.420   1.9052  59.176  2.6975 56.357  4.1920 2.818787       4.984870 
1 1 1 1  17 46 o 12.685  4.1608 -2.2127  1.7089  11.253  5.2644 14.116  6.4448 -2.863182      8.321639 
1 1 1 1  17 48 o 19.027  5.0523 3.5646   1.8164  16.583  6.5420 21.471  7.7010 -4.888186      10.10460 
1 1 1 1  17 50 o 22.683  5.4614 6.5492   2.0870  23.772  6.6979 21.593  8.6281 2.178484       10.92274 
1 1 1 1  18 1  o 416.399 2.9331 1734.21  17.264  418.466 4.2113 414.332 4.0838 4.133942       5.866172 
1 1 1 1  18 3  o 323.803 2.3912 1048.58  10.948  326.227 3.4056 321.378 3.3576 4.848450       4.782452 
1 1 1 1  18 5  o 361.788 2.5091 1309.45  12.829  362.690 3.4681 360.885 3.6270 1.804657       5.018276 
1 1 1 1  18 7  o 658.703 4.1714 4343.48  38.845  657.700 5.9899 659.706 5.8072 -2.005859      8.342812 
1 1 1 1  18 9  o 254.909 2.0899 649.788  7.5322  258.815 2.9604 251.003 2.9508 7.812622       4.179895 
1 1 1 1  18 11 o 65.537  1.8429 42.744   1.6432  66.557  2.9739 64.516  2.1773 2.040810       3.685764 
1 1 1 1  18 13 o 164.244 1.6272 270.083  3.7499  163.115 2.4661 165.374 2.1235 -2.259491      3.254396 
1 1 1 1  18 15 o 159.530 1.4719 254.397  3.3153  160.949 2.1422 158.110 2.0192 2.839127       2.943853 
1 1 1 1  18 17 o 42.824  2.3981 17.983   1.3508  44.755  3.9946 40.893  2.6544 3.862896       4.796144 
1 1 1 1  18 19 o 350.747 2.4272 1231.57  12.034  348.403 3.5004 353.090 3.3635 -4.686584      4.854461 
1 1 1 1  18 21 o 388.008 2.6718 1507.87  14.648  385.629 3.8745 390.388 3.6800 -4.759033      5.343592 
1 1 1 1  18 23 o 209.067 2.0506 432.561  5.6543  203.701 2.2569 214.433 3.4243 -10.73166      4.101120 
1 1 1 1  18 25 o 171.917 1.6683 295.630  4.0482  170.993 2.2778 172.841 2.4382 -1.848221      3.336613 
1 1 1 1  18 27 o 153.065 1.6240 233.209  3.4700  148.760 2.1032 157.370 2.4750 -8.610046      3.247901 
1 1 1 1  18 29 o 142.726 1.6808 203.871  3.3648  142.425 2.1967 143.027 2.5446 -0.6020050     3.361642 
1 1 1 1  18 31 o 124.064 1.5483 154.132  2.7103  124.763 2.0983 123.365 2.2773 1.397980       3.096608 
1 1 1 1  18 33 o 137.174 1.5469 188.242  2.9955  135.088 2.1270 139.260 2.2466 -4.172195      3.093756 
1 1 1 1  18 35 o 20.730  4.6086 4.2780   1.5324  18.787  6.5843 22.674  6.4501 -3.887543      9.217230 
1 1 1 1  18 37 o 28.198  4.2029 8.4959   1.5775  31.020  4.3225 25.375  7.2092 5.644779       8.405765 
1 1 1 1  18 39 o 20.426  4.9821 3.7535   1.7673  17.067  6.5863 23.784  7.4769 -6.716391      9.964120 
1 1 1 1  18 41 o 37.340  3.7891 14.315   1.9279  37.090  4.4759 37.589  6.1151 -0.4986572     7.578131 
1 1 1 1  18 43 o 41.761  3.1280 18.026   1.7744  42.122  3.6380 41.400  5.0896 0.7224197      6.256091 
1 1 1 1  18 45 o 32.626  3.9410 11.329   1.7513  28.240  5.6259 37.013  5.5203 -8.773119      7.881930 
1 1 1 1  18 47 o 21.805  4.6950 4.5860   2.0188  27.871  5.9074 15.739  7.2989 12.13124       9.389946 
1 1 1 1  18 49 o 25.114  4.9979 7.6863   1.8164  23.459  6.5543 26.770  7.5469 -3.311121      9.995734 
1 1 1 1  18 51 o 19.265  5.3815 4.1512   2.1246  15.141  6.5185 23.389  8.5645 -8.248757      10.76296 
1 1 1 1  19 0  o 530.354 4.9009 2814.53  51.974  530.354 4.9009 ?       ?      0.000000       0.000000 
1 1 1 1  19 2  o 331.993 2.4411 1102.51  11.459  333.367 3.4859 330.620 3.4183 2.746765       4.882217 
1 1 1 1  19 4  o 110.047 1.5180 121.124  2.3625  109.612 2.1553 110.482 2.1383 -0.8703156     3.036067 
1 1 1 1  19 6  o 137.738 1.5907 189.599  3.0885  138.896 2.3445 136.580 2.1505 2.315384       3.181363 
1 1 1 1  19 8  o 114.259 1.5251 130.620  2.4479  113.951 2.2974 114.568 2.0063 -0.6171188     3.050130 
1 1 1 1  19 10 o 179.513 1.6097 322.289  4.0854  180.010 2.3056 179.015 2.2471 0.9947815      3.219467 
1 1 1 1  19 12 o 241.269 1.9502 580.761  6.5791  244.886 2.9724 237.651 2.5255 7.234894       3.900428 
1 1 1 1  19 14 o 170.904 1.6008 292.370  3.8564  169.557 2.3724 172.251 2.1500 -2.693802      3.201660 
1 1 1 1  19 16 o 228.633 1.8191 521.017  5.8180  233.482 2.7620 223.783 2.3682 9.699448       3.638294 
1 1 1 1  19 18 f 201.104 1.6859 404.781  4.7811  200.101 2.4889 202.108 2.2746 -2.007446      3.371750 
1 1 1 1  19 20 o 202.021 1.7680 408.129  5.0240  203.025 2.6418 201.018 2.3505 2.007080       3.536070 
1 1 1 1  19 22 o 167.046 1.7428 278.975  3.9215  166.663 1.9922 167.430 2.8602 -0.7666931     3.485594 
1 1 1 1  19 24 o 207.796 1.9699 432.192  5.7571  207.762 2.6123 207.830 2.9493 -0.6826782E-01 3.939869 
1 1 1 1  19 26 o 259.687 2.5111 670.623  8.5284  255.591 2.6980 263.784 4.2360 -8.193069      5.022225 
1 1 1 1  19 28 o 84.546  1.5811 71.709   1.8787  86.099  2.0765 82.994  2.3850 3.105003       3.162243 
1 1 1 1  19 30 f 113.338 1.5968 128.697  2.5476  114.245 2.1238 112.431 2.3852 1.814331       3.193697 
1 1 1 1  19 32 o 145.822 1.6460 212.692  3.3540  144.706 2.1180 146.938 2.5203 -2.231873      3.292081 
1 1 1 1  19 34 o 58.752  2.2412 34.763   1.8429  59.910  2.8776 57.595  3.4367 2.314693       4.482346 
1 1 1 1  19 36 o 48.402  3.0174 23.585   1.9933  48.200  3.5766 48.604  4.8606 -0.4039688     6.034719 
1 1 1 1  19 38 o 98.138  1.8253 96.404   2.3854  97.258  2.0352 99.018  3.0307 -1.759933      3.650642 
1 1 1 1  19 40 o 20.851  4.8421 4.1320   1.7787  24.325  6.6404 17.377  7.0489 6.948206       9.684122 
1 1 1 1  19 42 o 31.358  4.5506 11.487   1.8841  38.168  4.1823 24.549  8.0833 13.61840       9.101171 
1 1 1 1  19 44 o 24.995  4.9212 7.2378   1.8784  28.730  5.5312 21.260  8.1411 7.469734       9.842351 
1 1 1 1  19 46 o 25.688  5.6162 7.4067   2.1550  19.941  6.9842 31.434  8.7971 -11.49269      11.23246 
1 1 1 1  19 48 o 13.573  4.4225 -2.5197  2.0318  14.172  6.1923 12.975  6.3156 1.197300       8.844909 
1 1 1 1  19 50 o 18.424  5.1318 3.5566   2.1004  20.531  7.2336 16.318  7.2811 4.212887       10.26352 
1 1 1 1  20 1  o 279.359 2.1655 780.392  8.5517  276.390 3.0263 282.328 3.0984 -5.938416      4.331089 
1 1 1 1  20 3  o 381.018 2.7196 1452.15  14.645  378.543 3.7783 383.494 3.9127 -4.950439      5.439169 
1 1 1 1  20 5  o 204.661 1.8428 418.778  5.3221  205.876 2.6982 203.447 2.5107 2.428955       3.685686 
1 1 1 1  20 7  o 435.380 2.9970 1897.00  18.452  435.319 4.2682 435.441 4.2084 -0.1218872     5.994033 
1 1 1 1  20 9  o 306.133 2.2134 935.886  9.5350  310.900 3.2860 301.366 2.9662 9.533661       4.426719 
1 1 1 1  20 11 o 234.177 1.9107 548.727  6.3109  233.519 2.8163 234.835 2.5830 -1.315994      3.821444 
1 1 1 1  20 13 o 264.918 2.0037 701.450  7.4795  267.562 2.9591 262.274 2.7023 5.288239       4.007329 
1 1 1 1  20 15 o 204.101 1.7050 416.849  4.9090  203.488 2.5102 204.714 2.3081 -1.226776      3.410056 
1 1 1 1  20 17 o 148.736 1.4813 221.248  3.0569  148.901 2.3156 148.570 1.8480 0.3310089      2.962600 
1 1 1 1  20 19 o 131.284 1.7045 172.225  2.9516  131.681 2.8608 130.887 1.8538 0.7940063      3.408930 
1 1 1 1  20 21 o 107.600 1.5518 115.552  2.3556  104.161 2.1455 111.039 2.2426 -6.877785      3.103624 
1 1 1 1  20 23 o 87.286  1.5798 76.250   1.9427  87.435  2.1178 87.137  2.3448 0.2980957      3.159612 
1 1 1 1  20 25 o 247.510 1.9790 613.501  6.8367  247.872 2.5244 247.147 3.0485 0.7252655      3.958058 
1 1 1 1  20 27 o 143.098 1.7199 204.983  3.4772  142.590 2.3733 143.607 2.4899 -1.016663      3.439760 
1 1 1 1  20 29 o 31.931  3.6800 10.533   1.5937  34.577  4.4318 29.284  5.8760 5.293301       7.359945 
1 1 1 1  20 31 f 82.384  1.7616 68.007   2.0253  82.437  2.2462 82.330  2.7144 0.1068573      3.523229 
1 1 1 1  20 33 o 150.031 1.5949 225.486  3.3829  151.748 2.2721 148.313 2.2387 3.435593       3.189702 
1 1 1 1  20 35 o 81.346  1.9162 66.429   2.2024  80.321  2.7823 82.370  2.6356 -2.048737      3.832399 
1 1 1 1  20 37 o 37.282  3.8516 14.635   1.8815  39.699  4.1818 34.865  6.4692 4.833889       7.703125 
1 1 1 1  20 39 o 58.922  2.5643 35.375   2.0761  60.366  3.0674 57.478  4.1102 2.888569       5.128619 
1 1 1 1  20 41 o 42.218  3.9485 18.552   2.2776  42.256  4.6843 42.181  6.3576 0.7431793E-01  7.896930 
1 1 1 1  20 43 o 19.844  5.5236 3.2015   2.1655  17.127  6.8665 22.560  8.6540 -5.432871      11.04715 
1 1 1 1  20 45 f 17.440  5.0604 2.1153   1.8475  15.066  6.1512 19.813  8.0371 -4.747440      10.12086 
1 1 1 1  20 47 o 20.427  5.4231 4.3118   2.1240  16.567  6.8557 24.287  8.4047 -7.720278      10.84617 
1 1 1 1  20 49 o 22.919  5.5124 7.0712   2.1156  22.037  7.3790 23.801  8.1912 -1.764116      11.02477 
1 1 1 1  21 0  o 104.350 2.2664 109.057  4.7249  104.350 2.2664 ?       ?      0.000000       0.000000 
1 1 1 1  21 2  o 520.016 3.4470 2707.12  25.348  515.021 4.8971 525.010 4.8525 -9.989075      6.894084 
1 1 1 1  21 4  o 447.663 3.0610 2005.83  19.379  449.538 4.3179 445.788 4.3399 3.749878       6.121988 
1 1 1 1  21 6  o 95.786  1.4373 91.610   1.9427  97.985  2.0852 93.587  1.9785 4.397568       2.874520 
1 1 1 1  21 8  o 387.341 2.6111 1501.51  14.302  384.786 3.7170 389.897 3.6683 -5.110138      5.222294 
1 1 1 1  21 10 o 182.929 1.7437 334.434  4.4741  184.093 2.6360 181.765 2.2833 2.328094       3.487389 
1 1 1 1  21 12 o 241.718 1.9518 584.197  6.6649  244.685 2.8183 238.751 2.7011 5.934708       3.903651 
1 1 1 1  21 14 o 310.361 2.3870 964.338  10.465  309.058 3.4708 311.664 3.2779 -2.606049      4.774026 
1 1 1 1  21 16 o 141.048 1.7484 199.285  3.4725  139.505 2.6089 142.591 2.3285 -3.085861      3.496857 
1 1 1 1  21 18 f 225.981 2.1946 512.914  6.8040  223.197 3.5187 228.765 2.6236 -5.567566      4.389140 
1 1 1 1  21 20 o 87.173  1.7110 75.778   1.9921  87.931  2.8319 86.415  1.9211 1.516655       3.422065 
1 1 1 1  21 22 o 65.113  1.8756 42.241   1.7027  66.627  2.8750 63.600  2.4094 3.026325       3.751141 
1 1 1 1  21 24 o 160.382 2.0901 256.504  4.6550  163.419 3.2429 157.346 2.6377 6.073685       4.180196 
1 1 1 1  21 26 o 125.348 1.5177 156.643  2.6437  123.070 1.9196 127.626 2.3514 -4.555481      3.035444 
1 1 1 1  21 28 o 163.241 1.7571 266.733  4.0482  162.487 2.3970 163.995 2.5697 -1.508621      3.514116 
1 1 1 1  21 30 o 133.601 1.6558 178.737  3.1274  131.622 2.3285 135.579 2.3547 -3.957123      3.311589 
1 1 1 1  21 32 o 120.644 1.6662 145.715  2.8324  119.309 2.2477 121.978 2.4603 -2.668373      3.332422 
1 1 1 1  21 34 o 68.203  1.8591 46.531   1.7673  69.163  2.8619 67.244  2.3739 1.919876       3.718259 
1 1 1 1  21 36 o 52.379  2.5878 27.660   1.9070  53.076  3.8496 51.682  3.4593 1.394238       5.175503 
1 1 1 1  21 38 o 31.613  4.0113 10.458   1.7553  30.168  5.9257 33.057  5.4082 -2.889074      8.022627 
1 1 1 1  21 40 o 32.584  4.8388 11.086   2.0188  29.048  5.6984 36.120  7.8221 -7.071373      9.677592 
1 1 1 1  21 42 o 22.697  5.7711 5.1771   2.1537  19.395  6.8476 25.999  9.2915 -6.603952      11.54214 
1 1 1 1  21 44 o 23.841  5.0661 6.7197   1.8495  24.625  6.9548 23.058  7.3683 1.567129       10.13216 
1 1 1 1  21 46 o 14.086  4.4402 -0.5534  1.8192  15.034  6.4961 13.138  6.0548 1.895639       8.880318 
1 1 1 1  21 48 o 18.145  5.1917 2.7669   2.2348  20.243  7.3344 16.046  7.3499 4.196352       10.38344 
1 1 1 1  22 1  o 249.428 2.0272 622.285  7.1490  251.589 2.8932 247.267 2.8405 4.322083       4.054477 
1 1 1 1  22 3  o 321.426 2.4303 1033.92  11.046  322.818 3.4020 320.034 3.4715 2.783600       4.860548 
1 1 1 1  22 5  o 484.031 3.2321 2345.78  22.124  486.020 4.5718 482.042 4.5698 3.978455       6.464112 
1 1 1 1  22 7  o 456.187 3.0779 2083.03  19.847  460.052 4.4135 452.323 4.2913 7.728394       6.155839 
1 1 1 1  22 9  o 285.674 2.2688 816.763  9.1571  285.300 3.2899 286.048 3.1250 -0.7480164     4.537515 
1 1 1 1  22 11 o 299.580 2.2938 898.466  9.6847  298.780 3.3979 300.380 3.0822 -1.600464      4.587550 
1 1 1 1  22 13 o 273.054 2.0917 746.179  8.0770  271.149 2.9671 274.959 2.9492 -3.809845      4.183432 
1 1 1 1  22 15 o 143.841 1.5232 207.023  3.0938  143.617 2.2229 144.065 2.0831 -0.4481812     3.046409 
1 1 1 1  22 17 o 52.714  2.1442 27.640   1.5733  54.283  3.2935 51.146  2.7465 3.137466       4.288405 
1 1 1 1  22 19 o 19.966  4.7252 3.7033   1.5324  20.149  7.3311 19.784  5.9635 0.3647060      9.450308 
1 1 1 1  22 21 o 183.701 1.7514 338.138  4.5109  182.265 2.6624 185.137 2.2762 -2.871994      3.502791 
1 1 1 1  22 23 o 125.958 1.5064 158.708  2.6756  125.228 2.0395 126.688 2.2176 -1.459778      3.012844 
1 1 1 1  22 25 o 83.984  1.8027 70.289   2.1156  81.753  2.3430 86.214  2.7402 -4.460930      3.605378 
1 1 1 1  22 27 o 184.909 1.8784 341.733  4.8092  183.288 2.3340 186.530 2.9438 -3.241608      3.756840 
1 1 1 1  22 29 o 53.863  2.2238 29.133   1.6914  53.030  3.2509 54.696  3.0352 -1.666367      4.447553 
1 1 1 1  22 31 o 134.568 1.6970 181.581  3.2165  134.987 2.2705 134.148 2.5226 0.8388977      3.393910 
1 1 1 1  22 33 o 89.239  1.7711 79.877   2.2348  90.277  2.4755 88.202  2.5337 2.074951       3.542245 
1 1 1 1  22 35 o 60.704  2.3893 37.137   2.0253  60.867  3.6715 60.542  3.0585 0.3256989      4.778554 
1 1 1 1  22 37 o 18.298  4.6626 2.8094   1.5963  15.946  6.4486 20.649  6.7361 -4.702663      9.325211 
1 1 1 1  22 39 o 39.816  3.8025 16.601   2.0897  41.712  4.5922 37.919  6.0619 3.792820       7.604934 
1 1 1 1  22 41 o 26.895  5.1316 7.9783   1.9256  23.121  6.5850 30.668  7.8723 -7.547070      10.26328 
1 1 1 1  22 43 o 22.736  5.7136 5.8061   2.3429  21.374  8.5330 24.098  7.6007 -2.723696      11.42729 
1 1 1 1  22 45 o 31.778  4.6295 12.058   2.0412  37.900  5.2226 25.656  7.6455 12.24343       9.259033 
1 1 1 1  22 47 o 18.390  5.0377 3.4662   1.9702  20.262  6.9949 16.518  7.2514 3.743658       10.07531 
1 1 1 1  23 0  o 135.713 2.4483 184.400  6.6404  135.713 2.4483 ?       ?      0.000000       0.000000 
1 1 1 1  23 2  o 288.080 2.2176 830.188  9.0293  290.734 3.1845 285.425 3.0871 5.309143       4.435198 
1 1 1 1  23 4  o 217.089 1.8514 471.595  5.6820  215.867 2.6621 218.311 2.5738 -2.443741      3.702831 
1 1 1 1  23 6  f 125.398 1.6618 157.502  2.9246  124.326 2.5165 126.471 2.1709 -2.145660      3.323505 
1 1 1 1  23 8  o 223.255 1.9031 498.847  5.9911  222.663 2.8102 223.847 2.5672 -1.184189      3.806283 
1 1 1 1  23 10 o 293.076 2.2280 859.623  9.2077  293.532 3.2846 292.620 3.0112 0.9119873      4.456017 
1 1 1 1  23 12 o 262.119 2.1038 686.563  7.7474  258.946 2.7863 265.292 3.1529 -6.346680      4.207671 
1 1 1 1  23 14 o 118.441 2.0589 140.076  3.2383  119.094 3.4313 117.787 2.2767 1.307213       4.117896 
1 1 1 1  23 16 f 84.458  1.7908 71.371   2.1385  83.929  2.5105 84.986  2.5544 -1.056595      3.581602 
1 1 1 1  23 18 o 154.835 1.6863 239.234  3.6089  156.593 2.6504 153.077 2.0856 3.516449       3.372541 
1 1 1 1  23 20 o 97.594  1.4911 95.574   2.0253  96.247  2.3219 98.942  1.8715 -2.694557      2.982220 
1 1 1 1  23 22 o 81.693  1.7072 67.210   1.9218  79.767  2.7216 83.619  2.0617 -3.851112      3.414303 
1 1 1 1  23 24 o 168.969 2.0876 283.720  4.5989  166.112 2.2294 171.827 3.5302 -5.715057      4.175216 
1 1 1 1  23 26 o 68.015  2.0268 46.349   1.9427  67.928  2.7259 68.102  3.0002 -0.1740036     4.053655 
1 1 1 1  23 28 o 60.796  2.1907 37.077   1.8830  59.802  3.0963 61.790  3.1000 -1.988453      4.381490 
1 1 1 1  23 30 o 85.800  1.7926 73.432   2.1409  83.634  2.2904 87.967  2.7582 -4.333519      3.585179 
1 1 1 1  23 32 o 86.509  1.7228 74.980   2.1051  83.232  2.4548 89.786  2.4179 -6.554443      3.445629 
1 1 1 1  23 34 o 24.368  4.9700 6.3022   1.8057  23.583  7.4854 25.153  6.5401 -1.570120      9.940053 
1 1 1 1  23 36 o 17.037  4.6639 1.9906   1.6125  16.498  6.7700 17.576  6.4167 -1.077789      9.327721 
1 1 1 1  23 38 o 37.863  4.8837 15.893   2.3882  34.248  8.4342 41.478  4.9260 -7.230366      9.767391 
1 1 1 1  23 40 o 49.881  2.7111 25.419   1.8964  46.896  3.6761 52.866  3.9857 -5.969997      5.422128 
1 1 1 1  23 42 o 28.077  5.5523 9.3541   2.2117  26.859  6.8669 29.294  8.7269 -2.434944      11.10465 
1 1 1 1  23 44 o 18.821  5.2829 3.0320   2.1180  19.516  6.9692 18.127  7.9415 1.389450       10.56585 
1 1 1 1  23 46 o 17.521  5.2472 2.5029   2.1454  15.849  6.6576 19.193  8.1122 -3.343816      10.49436 
1 1 1 1  24 1  o 190.942 2.0219 364.855  5.4590  188.686 2.8764 193.198 2.8422 -4.512741      4.043728 
1 1 1 1  24 3  o 59.714  2.5931 35.922   2.1634  57.357  4.0076 62.070  3.2918 -4.713337      5.186156 
1 1 1 1  24 5  o 208.520 1.8627 434.746  5.4793  210.550 2.7293 206.490 2.5356 4.059509       3.725356 
1 1 1 1  24 7  o 292.769 2.2207 857.925  9.1927  291.574 3.1096 293.964 3.1712 -2.390747      4.441399 
1 1 1 1  24 9  o 293.665 2.4832 863.225  10.304  291.914 3.4341 295.415 3.5879 -3.501556      4.966466 
1 1 1 1  24 11 o 79.474  1.7531 62.913   1.8841  80.510  2.8551 78.439  2.0350 2.071472       3.506113 
1 1 1 1  24 13 o 192.976 1.8983 373.034  5.0684  192.214 2.9897 193.738 2.3400 -1.524323      3.796512 
1 1 1 1  24 15 o 142.344 1.7747 203.043  3.4951  141.569 2.7963 143.120 2.1860 -1.551620      3.549402 
1 1 1 1  24 17 o 29.162  4.4012 8.8230   1.6253  28.039  7.7268 30.285  4.2167 -2.245831      8.802489 
1 1 1 1  24 19 o 124.734 1.5995 155.760  2.7862  124.595 2.4598 124.872 2.0453 -0.2770386     3.199061 
1 1 1 1  24 21 o 170.146 1.7731 289.881  4.2055  170.124 2.7398 170.168 2.2513 -0.4379272E-01 3.546131 
1 1 1 1  24 23 o 143.832 1.6364 206.640  3.2895  145.593 2.4998 142.071 2.1123 3.521729       3.272713 
1 1 1 1  24 25 o 162.061 1.8137 262.355  4.1149  159.290 2.3650 164.831 2.7503 -5.540741      3.627304 
1 1 1 1  24 27 o 94.062  1.9443 88.711   2.5855  92.300  2.7671 95.823  2.7320 -3.523399      3.888503 
1 1 1 1  24 29 o 85.125  2.1274 73.163   2.4732  83.501  3.4410 86.748  2.5025 -3.246918      4.254780 
1 1 1 1  24 31 o 84.437  2.7896 71.698   2.9052  84.527  4.9100 84.347  2.6495 0.1802292      5.579234 
1 1 1 1  24 33 o 34.443  4.9543 12.667   2.3196  35.145  7.3261 33.741  6.6715 1.404308       9.908600 
1 1 1 1  24 35 o 67.410  2.0852 45.927   1.9711  66.426  3.1721 68.395  2.7073 -1.969368      4.170311 
1 1 1 1  24 37 o 70.694  2.5289 50.841   2.5120  70.438  3.8072 70.951  3.3297 -0.5123901     5.057852 
1 1 1 1  24 39 o 12.502  4.0874 -2.5540  1.7240  13.637  6.1098 11.366  5.4311 2.271725       8.174782 
1 1 1 1  24 41 o 31.820  4.6620 11.653   2.0113  34.505  5.1813 29.134  7.7518 5.370806       9.323977 
1 1 1 1  24 43 o 22.467  5.3247 6.0323   2.0067  23.420  7.3539 21.515  7.7026 1.904810       10.64939 
1 1 1 1  24 45 o 31.039  5.0252 12.259   2.1709  28.059  7.5643 34.019  6.6176 -5.960260      10.05045 
1 1 1 1  25 0  o 137.704 2.5987 189.891  7.1512  137.704 2.5987 ?       ?      0.000000       0.000000 
1 1 1 1  25 2  o 320.599 2.4302 1029.11  11.007  320.420 3.5271 320.778 3.3440 -0.3587036     4.860339 
1 1 1 1  25 4  o 332.332 2.5960 1105.92  12.183  332.481 3.7832 332.183 3.5560 0.2981567      5.192091 
1 1 1 1  25 6  o 48.233  2.9561 23.290   1.9986  48.425  4.4831 48.041  3.8544 0.3836823      5.912204 
1 1 1 1  25 8  f 97.425  1.8924 94.538   2.5193  98.921  3.0337 95.929  2.2630 2.991814       3.784816 
1 1 1 1  25 10 o 292.199 2.2731 855.292  9.3856  286.996 3.2927 297.402 3.1345 -10.40619      4.546107 
1 1 1 1  25 12 o 192.978 1.9015 372.995  5.1435  192.137 2.8912 193.818 2.4708 -1.680893      3.803083 
1 1 1 1  25 14 o 158.077 1.7715 250.166  3.9587  155.492 2.5459 160.662 2.4640 -5.170181      3.543048 
1 1 1 1  25 16 o 33.093  4.3358 11.183   1.8590  33.107  7.3305 33.080  4.6324 0.2638626E-01  8.671555 
1 1 1 1  25 18 o 247.991 2.1377 617.149  7.4438  244.835 3.2338 251.146 2.7966 -6.310745      4.275319 
1 1 1 1  25 20 o 146.289 1.7986 214.782  3.6857  144.115 2.7469 148.464 2.3224 -4.348511      3.597100 
1 1 1 1  25 22 o 83.749  2.1371 69.760   2.2754  84.886  3.6857 82.612  2.1641 2.274002       4.274110 
1 1 1 1  25 24 o 29.183  4.6892 9.2006   1.9464  23.487  7.9703 34.880  4.9425 -11.39353      9.378366 
1 1 1 1  25 26 o 78.641  2.0956 62.000   2.3266  77.678  2.8770 79.605  3.0480 -1.926842      4.191291 
1 1 1 1  25 28 o 72.152  1.9692 51.982   1.9986  68.899  2.6875 75.406  2.8790 -6.506569      3.938431 
1 1 1 1  25 30 o 22.208  4.8309 4.7888   1.7878  26.621  6.7127 17.795  6.9489 8.825724       9.661703 
1 1 1 1  25 32 o 74.882  2.0824 56.342   2.1913  73.979  2.7619 75.785  3.1173 -1.806061      4.164832 
1 1 1 1  25 34 o 20.619  5.2070 3.7672   1.9794  23.202  7.4977 18.036  7.2273 5.166712       10.41393 
1 1 1 1  25 36 o 83.495  2.1671 70.657   2.5476  84.007  2.8882 82.982  3.2317 1.025467       4.334236 
1 1 1 1  25 38 o 59.661  2.3101 36.303   1.9427  55.980  3.3077 63.341  3.2257 -7.361156      4.620200 
1 1 1 1  25 40 o 34.465  4.8799 13.714   2.2915  32.683  6.8609 36.247  6.9413 -3.564304      9.759795 
1 1 1 1  25 42 o 16.625  5.1441 0.7662   2.0523  13.269  5.9136 19.981  8.4188 -6.712507      10.28822 
1 1 1 1  25 44 o 20.576  5.3416 5.0210   2.0993  17.289  7.1138 23.862  7.9703 -6.572365      10.68324 
1 1 1 1  25 46 o 16.304  5.0998 0.5606   2.4578  19.012  7.8566 13.596  6.5043 5.416092       10.19956 
1 1 1 1  26 1  o 165.675 1.8160 274.624  4.2266  165.937 2.7320 165.414 2.3932 0.5232086      3.631987 
1 1 1 1  26 3  o 219.735 2.1495 482.980  6.5520  220.435 3.3600 219.035 2.6819 1.400146       4.299090 
1 1 1 1  26 5  o 241.626 2.2611 584.516  7.7238  242.057 3.2445 241.195 3.1502 0.8622589      4.522263 
1 1 1 1  26 7  o 178.503 2.0237 318.997  5.1080  180.256 2.8338 176.750 2.8900 3.505463       4.047494 
1 1 1 1  26 9  o 165.849 1.8141 274.911  4.2170  167.338 2.7473 164.359 2.3697 2.978851       3.628105 
1 1 1 1  26 11 o 81.836  1.8083 66.226   1.9921  84.513  2.9465 79.159  2.0972 5.353783       3.616614 
1 1 1 1  26 13 o 154.996 1.8411 241.002  3.9168  153.840 2.9468 156.153 2.2080 -2.312637      3.682280 
1 1 1 1  26 15 f 226.626 2.1093 514.200  6.5851  227.081 3.3460 226.172 2.5690 0.9090424      4.218506 
1 1 1 1  26 17 o 104.778 1.8496 109.755  2.6502  105.364 2.9694 104.192 2.2061 1.172180       3.699242 
1 1 1 1  26 19 o 106.861 1.7279 114.732  2.5540  105.264 2.7296 108.459 2.1193 -3.194946      3.455759 
1 1 1 1  26 21 o 72.448  2.2907 52.142   2.2566  74.483  3.6862 70.412  2.7204 4.071404       4.581328 
1 1 1 1  26 23 o 111.740 2.0400 125.785  3.1606  109.422 3.2094 114.057 2.5191 -4.635841      4.079992 
1 1 1 1  26 25 o 29.184  4.5997 8.9567   1.8318  28.508  6.0109 29.859  6.9641 -1.350651      9.199465 
1 1 1 1  26 27 o 46.771  2.6542 21.976   1.7507  45.764  3.6276 47.778  3.8755 -2.014492      5.308399 
1 1 1 1  26 29 o 94.349  2.0125 89.470   2.6756  94.157  2.9838 94.540  2.7015 -0.3824463     4.025048 
1 1 1 1  26 31 o 48.311  2.7606 23.560   1.8701  47.567  3.6243 49.055  4.1651 -1.488533      5.521241 
1 1 1 1  26 33 o 21.487  4.8995 4.7900   1.6914  21.554  6.8567 21.420  7.0004 0.1343231      9.798919 
1 1 1 1  26 35 o 16.650  4.7058 0.5086   1.8830  12.902  6.0266 20.398  7.2289 -7.496253      9.411505 
1 1 1 1  26 37 o 12.320  4.1681 -5.1160  2.0352  14.020  6.4973 10.619  5.2229 3.401237       8.336287 
1 1 1 1  26 39 o 41.837  3.5630 18.772   2.1071  41.074  5.1299 42.600  4.9462 -1.526173      7.126063 
1 1 1 1  26 41 o 24.539  5.4014 7.3399   2.0511  22.813  7.2398 26.266  8.0177 -3.452927      10.80271 
1 1 1 1  26 43 o 15.685  4.9315 0.6441   2.0987  14.745  6.3752 16.624  7.5258 -1.879354      9.863080 
1 1 1 1  26 45 o 15.045  4.8603 0.0450   2.1907  13.231  6.0801 16.859  7.5843 -3.627375      9.720595 
1 1 1 1  27 0  o 385.608 4.9528 1490.14  38.183  385.608 4.9528 ?       ?      0.000000       0.000000 
1 1 1 1  27 2  f 229.164 2.5737 525.768  8.3050  230.505 3.8226 227.822 3.4472 2.683075       5.147427 
1 1 1 1  27 4  o 112.267 1.8902 126.169  3.0010  112.950 2.6569 111.585 2.6894 1.364960       3.780488 
1 1 1 1  27 6  o 222.984 2.3400 497.189  7.3436  219.871 3.1363 226.097 3.4736 -6.225586      4.679968 
1 1 1 1  27 8  o 183.828 2.0890 337.399  5.3905  180.098 2.7654 187.559 3.1319 -7.460861      4.178069 
1 1 1 1  27 10 o 380.526 3.0918 1452.62  16.611  378.603 4.2330 382.448 4.5077 -3.844910      6.183691 
1 1 1 1  27 12 o 178.955 1.7438 320.342  4.3825  180.153 2.6227 177.758 2.2989 2.394608       3.487631 
1 1 1 1  27 14 o 124.608 1.7308 155.306  2.9922  125.178 2.7034 124.037 2.1620 1.141541       3.461612 
1 1 1 1  27 16 o 101.984 1.7807 104.198  2.5285  101.689 2.7627 102.279 2.2474 -0.5891342     3.561409 
1 1 1 1  27 18 o 34.059  4.4882 11.927   1.9921  33.754  7.5656 34.364  4.8310 -0.6093025     8.976499 
1 1 1 1  27 20 o 45.681  2.7176 20.771   1.7274  47.680  4.1513 43.681  3.5082 3.999008       5.435117 
1 1 1 1  27 22 o 43.754  3.0475 19.294   1.8830  43.019  4.4527 44.489  4.1621 -1.469635      6.095045 
1 1 1 1  27 24 o 96.348  2.5138 93.869   3.3407  98.498  3.0467 94.198  3.9992 4.299759       5.027545 
1 1 1 1  27 26 o 37.751  4.1304 14.697   2.0897  30.289  6.5111 45.214  5.0839 -14.92506      8.260783 
1 1 1 1  27 28 o 75.700  2.5178 57.502   2.6270  74.194  3.0981 77.207  3.9696 -3.012688      5.035502 
1 1 1 1  27 30 o 72.959  2.3223 53.512   2.3735  71.184  3.0497 74.733  3.5030 -3.548653      4.644503 
1 1 1 1  27 32 o 51.912  2.8327 27.575   1.9933  52.797  3.2653 51.027  4.6298 1.769451       5.665452 
1 1 1 1  27 34 o 34.138  4.4553 12.595   2.0354  36.284  6.7630 31.993  5.8018 4.290972       8.910613 
1 1 1 1  27 36 o 47.414  3.6629 24.008   2.4196  44.709  5.7126 50.120  4.5863 -5.410843      7.325804 
1 1 1 1  27 38 o 22.537  5.1704 5.9327   1.8830  23.049  7.3686 22.024  7.2550 1.024328       10.34075 
1 1 1 1  27 40 o 34.116  4.6821 13.809   2.1540  29.991  7.8037 38.242  5.1759 -8.251081      9.364161 
1 1 1 1  27 42 o 16.902  5.1509 1.5069   2.2407  17.233  6.8838 16.572  7.6642 0.6607628      10.30172 
1 1 1 1  27 44 o 16.962  5.2991 2.0006   2.1283  13.279  5.9159 20.644  8.7935 -7.365585      10.59827 
1 1 1 1  28 1  o 204.248 1.9454 417.773  5.6188  205.796 2.7303 202.701 2.7720 3.094849       3.890816 
1 1 1 1  28 3  o 180.556 2.0054 327.024  5.1009  177.380 2.9877 183.731 2.6759 -6.350418      4.010842 
1 1 1 1  28 5  o 33.437  3.5135 11.208   1.6503  33.998  5.2586 32.877  4.6611 1.120987       7.027026 
1 1 1 1  28 7  o 166.979 1.8667 279.099  4.3974  167.791 2.7399 166.167 2.5361 1.623932       3.733430 
1 1 1 1  28 9  o 212.515 1.9884 452.291  5.9562  212.933 2.9386 212.096 2.6793 0.8372498      3.976716 
1 1 1 1  28 11 f 167.298 1.8090 280.367  4.2780  164.302 2.6037 170.294 2.5121 -5.992020      3.618033 
1 1 1 1  28 13 o 320.275 2.5893 1027.81  11.678  322.289 3.8434 318.260 3.4708 4.028229       5.178648 
1 1 1 1  28 15 o 247.238 2.1967 613.111  7.6360  245.810 3.2989 248.666 2.9015 -2.856049      4.393351 
1 1 1 1  28 17 o 107.715 1.8833 116.150  2.7807  108.067 3.0133 107.362 2.2599 0.7053528      3.766586 
1 1 1 1  28 19 o 33.054  3.9973 11.159   1.7923  33.693  6.2978 32.414  4.9246 1.279228       7.994603 
1 1 1 1  28 21 o 97.761  1.9355 94.751   2.5386  100.736 3.1692 94.786  2.2230 5.950714       3.871099 
1 1 1 1  28 23 o 44.524  2.7713 19.308   1.6857  49.693  4.2401 39.354  3.5694 10.33941       5.542518 
1 1 1 1  28 25 o 81.152  2.0585 66.149   2.3625  80.994  2.9168 81.309  2.9055 -0.3147202     4.117046 
1 1 1 1  28 27 o 114.159 1.8030 130.805  2.8880  114.983 2.7210 113.334 2.3662 1.649612       3.605927 
1 1 1 1  28 29 o 60.323  2.3056 37.021   1.9427  57.277  3.5672 63.369  2.9220 -6.091869      4.611228 
1 1 1 1  28 31 o 14.940  4.6060 -0.4492  1.8429  15.280  6.4836 14.601  6.5440 0.6794815      9.212009 
1 1 1 1  28 33 o 16.791  4.9639 0.6876   2.0629  15.044  6.8330 18.537  7.2022 -3.492492      9.927771 
1 1 1 1  28 35 o 37.999  4.1894 15.891   2.1690  40.873  5.1552 35.124  6.6052 5.748363       8.378826 
1 1 1 1  28 37 o 20.146  5.2174 4.2686   1.9344  18.689  7.0362 21.603  7.7057 -2.913294      10.43483 
1 1 1 1  28 39 o 18.454  5.2455 3.0010   2.1071  17.511  7.2839 19.397  7.5501 -1.885521      10.49095 
1 1 1 1  28 41 o 18.028  5.0248 2.8013   1.9986  14.022  6.3054 22.034  7.8254 -8.012403      10.04964 
1 1 1 1  29 0  o 66.623  2.9839 44.695   3.9587  66.623  2.9839 ?       ?      0.000000       0.000000 
1 1 1 1  29 2  o 52.923  2.6453 28.086   1.9773  53.159  3.8436 52.687  3.6356 0.4722443      5.290641 
1 1 1 1  29 4  o 68.748  2.2015 47.253   2.1271  69.945  3.2863 67.552  2.9301 2.393303       4.402918 
1 1 1 1  29 6  o 77.671  2.0090 60.510   2.2024  75.737  2.9507 79.605  2.7271 -3.867485      4.017928 
1 1 1 1  29 8  o 123.032 1.8233 151.753  3.1448  122.035 2.7730 124.030 2.3681 -1.995110      3.646575 
1 1 1 1  29 10 o 139.765 1.7820 195.889  3.5013  138.110 2.6814 141.420 2.3478 -3.310181      3.564013 
1 1 1 1  29 12 o 132.851 1.7717 175.546  3.2601  136.692 2.7560 129.011 2.2271 7.680756       3.543379 
1 1 1 1  29 14 o 141.044 1.8327 199.453  3.6115  140.566 2.8163 141.521 2.3461 -0.9555206     3.665461 
1 1 1 1  29 16 o 117.496 1.7023 138.695  2.7862  115.925 2.6438 119.067 2.1450 -3.141479      3.404527 
1 1 1 1  29 18 o 65.860  2.7419 45.053   2.3440  60.898  4.7181 70.822  2.7948 -9.923531      5.483793 
1 1 1 1  29 20 o 98.093  2.2025 96.996   2.9140  97.043  3.6188 99.143  2.5117 -2.100098      4.405034 
1 1 1 1  29 22 o 122.294 1.9798 149.690  3.2865  123.238 3.2123 121.349 2.3152 1.888832       3.959613 
1 1 1 1  29 24 o 80.439  2.3153 64.846   2.5618  81.824  3.6676 79.054  2.8269 2.770149       4.630625 
1 1 1 1  29 26 o 33.366  4.2276 12.058   1.8787  27.743  7.1037 38.989  4.5854 -11.24599      8.455108 
1 1 1 1  29 28 o 14.288  4.5855 -2.2627  2.0352  13.602  6.3713 14.975  6.5964 -1.372420      9.170910 
1 1 1 1  29 30 o 18.183  4.9858 1.6915   1.9218  13.846  6.1589 22.520  7.8422 -8.674587      9.971611 
1 1 1 1  29 32 o 15.959  4.8920 0.0864   2.0354  15.946  7.1481 15.972  6.6806 -0.2529526E-01 9.784013 
1 1 1 1  29 34 o 49.311  2.9357 25.567   1.9986  46.376  4.6811 52.246  3.5441 -5.870636      5.871424 
1 1 1 1  29 36 o 18.637  5.2632 2.9023   2.0897  18.596  7.2069 18.678  7.6724 -0.8244514E-01 10.52639 
1 1 1 1  29 38 o 24.263  5.7553 7.4416   2.3266  25.205  8.3048 23.321  7.9703 1.883184       11.51066 
1 1 1 1  29 40 o 22.003  5.2242 6.1436   2.0412  25.574  7.3486 18.432  7.4274 7.142303       10.44838 
1 1 1 1  30 1  o 170.475 1.8672 291.051  4.5012  168.698 2.6494 172.252 2.6318 -3.554474      3.734433 
1 1 1 1  30 3  o 79.827  2.0360 63.811   2.2968  80.702  2.9274 78.951  2.8306 1.751358       4.072071 
1 1 1 1  30 5  o 69.701  2.2682 48.718   2.2348  70.937  3.1503 68.464  3.2641 2.473381       4.536436 
1 1 1 1  30 7  o 133.491 1.8689 178.619  3.4828  133.087 2.8786 133.896 2.3843 -0.8091431     3.737824 
1 1 1 1  30 9  o 169.616 1.9688 288.648  4.6441  168.712 3.0655 170.520 2.4713 -1.808304      3.937622 
1 1 1 1  30 11 o 113.305 1.7967 128.629  2.8605  113.486 2.7006 113.124 2.3706 0.3618698      3.593479 
1 1 1 1  30 13 o 64.639  2.1647 41.519   1.9464  67.573  3.3072 61.704  2.7939 5.869537       4.329364 
1 1 1 1  30 15 o 25.463  4.9155 6.8364   1.8164  23.968  7.7349 26.957  6.0680 -2.988770      9.830993 
1 1 1 1  30 17 o 112.474 1.7467 127.129  2.6921  111.607 2.8033 113.341 2.0844 -1.733932      3.493307 
1 1 1 1  30 19 o 105.313 1.8860 111.897  2.6505  103.705 3.1400 106.920 2.0901 -3.214340      3.772052 
1 1 1 1  30 21 o 70.583  2.5455 50.134   2.3854  70.662  4.2469 70.505  2.8074 0.1575394      5.090977 
1 1 1 1  30 23 o 67.254  2.3032 45.495   2.1240  67.652  3.6808 66.856  2.7696 0.7967300      4.606455 
1 1 1 1  30 25 o 29.554  4.8097 9.4993   1.9773  27.018  7.3630 32.090  6.1901 -5.072126      9.619313 
1 1 1 1  30 27 o 39.579  3.4635 16.389   1.8571  36.954  5.7018 42.204  3.9336 -5.249500      6.927015 
1 1 1 1  30 29 o 24.580  5.3687 6.6208   2.0746  22.579  7.6210 26.582  7.5640 -4.003294      10.73748 
1 1 1 1  30 31 o 18.391  5.4077 1.6286   2.3091  16.126  7.0112 20.655  8.2350 -4.529276      10.81539 
1 1 1 1  30 33 o 17.488  5.1193 1.6857   2.0707  18.649  7.5290 16.328  6.9386 2.320282       10.23862 
1 1 1 1  30 35 o 23.440  5.5666 6.3491   2.2662  19.903  7.7697 26.976  7.9738 -7.073011      11.13330 
1 1 1 1  30 37 f 46.749  3.2490 23.583   2.1385  49.700  4.3681 43.797  4.8109 5.902187       6.498086 
1 1 1 1  30 39 o 21.879  5.5765 6.2792   2.2329  19.948  7.6844 23.810  8.0833 -3.862646      11.15303 
1 1 1 1  31 0  o 56.430  3.6521 32.308   4.0864  56.430  3.6521 ?       ?      0.000000       0.000000 
1 1 1 1  31 2  o 134.503 1.7288 181.180  3.2855  135.658 2.4946 133.347 2.3941 2.311020       3.457568 
1 1 1 1  31 4  o 203.801 2.0283 416.435  5.8338  204.171 2.9709 203.431 2.7620 0.7402039      4.056521 
1 1 1 1  31 6  o 208.464 2.1445 436.035  6.3212  206.182 3.0658 210.746 2.9994 -4.563705      4.289044 
1 1 1 1  31 8  o 194.696 1.9992 380.872  5.4882  189.698 2.9620 199.694 2.6858 -9.996063      3.998382 
1 1 1 1  31 10 o 126.795 1.7670 161.158  3.1448  126.774 2.6694 126.817 2.3160 -0.4302979E-01 3.534060 
1 1 1 1  31 12 o 71.403  2.5037 50.944   2.3854  72.444  4.1425 70.362  2.8131 2.082611       5.007367 
1 1 1 1  31 14 o 64.884  2.4088 42.188   2.0789  65.354  4.0057 64.413  2.6764 0.9413834      4.817521 
1 1 1 1  31 16 o 47.449  3.2857 22.438   2.1469  49.729  5.1358 45.169  4.0994 4.560162       6.571300 
1 1 1 1  31 18 o 60.780  2.7478 36.694   2.2042  62.770  4.5775 58.791  3.0410 3.979164       5.495521 
1 1 1 1  31 20 o 110.126 2.2836 122.433  3.4375  109.310 3.6800 110.941 2.7050 -1.631126      4.567190 
1 1 1 1  31 22 o 66.211  2.8884 44.388   2.5386  66.225  4.8207 66.196  3.1830 0.2875519E-01  5.776767 
1 1 1 1  31 24 o 43.507  4.4779 20.531   2.1424  40.844  8.2616 46.170  3.4573 -5.326626      8.955835 
1 1 1 1  31 26 o 22.742  5.3591 5.3535   2.0253  22.121  7.9313 23.363  7.2092 -1.241831      10.71812 
1 1 1 1  31 28 o 33.016  4.2146 11.780   1.8964  32.989  6.6204 33.043  5.2174 -0.5361176E-01 8.429163 
1 1 1 1  31 30 o 34.138  4.9801 13.251   2.3196  31.067  7.1342 37.209  6.9504 -6.142368      9.960180 
1 1 1 1  31 32 o 25.168  5.3392 7.4893   2.1690  20.961  7.8716 29.374  7.2156 -8.413462      10.67836 
1 1 1 1  31 34 o 15.234  4.6454 -1.2770  2.0432  11.473  5.5830 18.994  7.4264 -7.521591      9.290858 
1 1 1 1  31 36 o 17.693  4.7974 3.0010   1.7240  15.873  6.5947 19.513  6.9691 -3.639585      9.594712 
1 1 1 1  31 38 o 21.321  5.4619 5.8706   2.2275  18.566  7.7172 24.076  7.7314 -5.510077      10.92377 
1 1 1 1  32 1  o 80.925  2.1757 65.691   2.4885  82.732  3.0871 79.118  3.0667 3.613953       4.351406 
1 1 1 1  32 3  o 115.212 1.9047 132.511  3.0569  117.778 2.9275 112.645 2.4374 5.133850       3.809312 
1 1 1 1  32 5  o 123.212 1.7626 151.985  3.0435  124.326 2.6706 122.099 2.3009 2.227127       3.525105 
1 1 1 1  32 7  o 131.878 1.8243 174.251  3.3407  132.464 2.8439 131.293 2.2857 1.171204       3.648613 
1 1 1 1  32 9  o 67.735  2.4251 45.729   2.2117  69.314  3.9611 66.157  2.7989 3.156479       4.850145 
1 1 1 1  32 11 o 145.011 1.8571 211.097  3.7860  144.191 2.7898 145.831 2.4519 -1.639572      3.714101 
1 1 1 1  32 13 o 187.839 1.9752 354.208  5.2163  187.390 2.9644 188.289 2.6111 -0.8983612     3.950408 
1 1 1 1  32 15 o 122.354 1.9245 151.005  3.2359  120.231 3.0802 124.478 2.3082 -4.247787      3.849098 
1 1 1 1  32 17 o 114.674 1.9424 132.423  3.0961  113.803 3.0297 115.545 2.4314 -1.742470      3.884742 
1 1 1 1  32 19 o 50.312  3.0764 25.324   2.0789  52.128  5.0220 48.497  3.5548 3.631615       6.152793 
1 1 1 1  32 21 o 64.354  2.6448 41.298   2.2986  67.206  4.2753 61.502  3.1146 5.704521       5.289503 
1 1 1 1  32 23 o 64.112  3.1344 41.986   2.7383  64.325  5.0624 63.899  3.6972 0.4251404      6.268728 
1 1 1 1  32 25 o 24.251  5.3973 6.2859   2.1385  20.707  7.6696 27.795  7.5962 -7.088299      10.79468 
1 1 1 1  32 27 o 23.134  5.1938 5.9338   1.9070  24.827  7.5553 21.441  7.1288 3.386448       10.38761 
1 1 1 1  32 29 o 26.126  5.1949 7.9673   2.0253  24.061  7.9703 28.192  6.6650 -4.130766      10.38976 
1 1 1 1  32 31 o 23.737  5.6330 6.5766   2.2986  26.652  7.9943 20.821  7.9382 5.831217       11.26600 
1 1 1 1  32 33 o 27.180  5.1975 9.0704   2.2662  34.177  6.7797 20.183  7.8798 13.99432       10.39495 
1 1 1 1  32 35 o 18.600  5.5816 2.8701   2.4758  17.532  7.2878 19.668  8.4560 -2.135319      11.16313 
1 1 1 1  32 37 o 17.382  5.0209 2.6638   2.0412  14.505  6.5212 20.259  7.6363 -5.754314      10.04186 
1 1 1 1  33 0  o 233.995 3.0300 548.986  14.175  233.995 3.0300 ?       ?      0.000000       0.000000 
1 1 1 1  33 2  o 179.354 1.9383 322.758  4.9157  180.841 2.7540 177.867 2.7282 2.974091       3.876565 
1 1 1 1  33 4  o 70.168  2.4403 49.822   2.3735  68.040  3.8476 72.296  3.0028 -4.256424      4.880648 
1 1 1 1  33 6  o 39.493  3.8728 15.512   2.1240  43.293  5.7519 35.694  5.1876 7.599270       7.745697 
1 1 1 1  33 8  o 64.367  2.5061 41.427   2.2123  65.648  3.9877 63.086  3.0364 2.562347       5.012122 
1 1 1 1  33 10 o 68.030  2.5409 47.657   2.3193  63.326  4.2348 72.735  2.8091 -9.408833      5.081811 
1 1 1 1  33 12 o 123.486 1.8548 153.251  3.1988  123.101 2.8528 123.871 2.3711 -0.7707291     3.709510 
1 1 1 1  33 14 o 68.237  2.2927 46.999   2.1913  67.497  3.5001 68.977  2.9622 -1.479973      4.585316 
1 1 1 1  33 16 o 71.161  2.7826 51.572   2.5781  70.033  4.7409 72.289  2.9148 -2.255432      5.565282 
1 1 1 1  33 18 o 58.287  3.1039 34.240   2.4966  60.589  4.8476 55.984  3.8777 4.605228       6.207723 
1 1 1 1  33 20 o 88.101  2.1266 77.837   2.5182  89.773  3.4851 86.429  2.4379 3.343842       4.253133 
1 1 1 1  33 22 o 30.243  5.4965 9.8960   2.3225  34.998  8.1684 25.488  7.3567 9.510082       10.99294 
1 1 1 1  33 24 o 15.849  4.8295 -0.9281  2.1044  14.531  6.9598 17.167  6.6977 -2.636352      9.659094 
1 1 1 1  33 26 o 27.922  5.2089 9.0668   2.1071  25.469  7.6569 30.375  7.0641 -4.906279      10.41772 
1 1 1 1  33 28 o 40.050  3.9348 17.039   2.1892  43.023  5.9364 37.078  5.1662 5.944691       7.869600 
1 1 1 1  33 30 o 16.628  5.0001 -0.1439  2.2626  19.794  7.6721 13.463  6.4143 6.330770       10.00019 
1 1 1 1  33 32 o 32.636  4.9846 12.880   2.2329  33.433  7.0907 31.840  7.0077 1.593149       9.969240 
1 1 1 1  33 34 o 27.856  5.2866 10.340   2.1802  24.457  8.3048 31.254  6.5440 -6.797501      10.57326 
1 1 1 1  33 36 o 19.964  5.3693 4.6304   2.3650  23.157  7.4992 16.772  7.6863 6.384638       10.73857 
1 1 1 1  34 1  o 54.349  2.7821 29.752   2.1347  55.679  4.0137 53.020  3.8537 2.658958       5.564232 
1 1 1 1  34 3  o 73.856  2.2929 54.767   2.3837  75.295  3.3920 72.417  3.0859 2.877708       4.585718 
1 1 1 1  34 5  o 45.352  3.5820 20.851   2.2915  47.141  5.1469 43.564  4.9833 3.576820       7.164081 
1 1 1 1  34 7  o 58.730  2.9078 35.128   2.3906  55.767  4.4653 61.694  3.7259 -5.926479      5.815571 
1 1 1 1  34 9  o 37.047  4.3349 14.011   2.1892  41.707  6.1237 32.388  6.1371 9.319340       8.669731 
1 1 1 1  34 11 o 78.829  2.4254 62.555   2.6270  79.378  3.8610 78.280  2.9364 1.097984       4.850764 
1 1 1 1  34 13 o 46.806  3.5485 22.140   2.1550  47.717  6.0215 45.896  3.7563 1.821571       7.097004 
1 1 1 1  34 15 o 16.833  4.9230 -0.1135  1.9500  21.727  8.1064 11.938  5.5883 9.788721       9.845939 
1 1 1 1  34 17 o 25.216  6.3237 6.0651   2.4966  28.264  10.360 22.168  7.2550 6.096722       12.64731 
1 1 1 1  34 19 o 24.072  5.7480 5.9347   2.3658  22.423  8.7202 25.720  7.4909 -3.296501      11.49591 
1 1 1 1  34 21 o 62.921  2.8420 40.871   2.3384  62.264  4.8198 63.578  3.0129 -1.314293      5.683979 
1 1 1 1  34 23 o 50.138  4.7677 28.310   2.4754  46.701  8.9323 53.575  3.3370 -6.873878      9.535301 
1 1 1 1  34 25 o 23.778  5.6534 6.3994   2.2662  25.201  7.9491 22.355  8.0409 2.845680       11.30682 
1 1 1 1  34 27 o 23.746  5.5863 6.6923   2.2024  22.538  7.8428 24.953  7.9571 -2.415352      11.17254 
1 1 1 1  34 29 o 18.332  5.1280 2.9310   2.0067  17.076  7.2027 19.588  7.3012 -2.512451      10.25604 
1 1 1 1  34 31 o 24.486  5.8790 7.7433   2.4578  22.674  8.3480 26.299  8.2803 -3.624619      11.75809 
1 1 1 1  34 33 o 13.090  4.3995 -3.2480  2.1987  14.110  6.5952 12.071  5.8245 2.039048       8.798926 
1 1 1 1  35 0  o 8.7034  6.1419 -3.8310  3.9587  8.7034  6.1419 ?       ?      0.000000       0.000000 
1 1 1 1  35 2  o 45.151  3.7007 20.815   2.3625  44.585  5.2988 45.717  5.1676 -1.131321      7.401433 
1 1 1 1  35 4  o 90.576  2.1742 82.816   2.7771  87.396  3.2146 93.756  2.9284 -6.359871      4.348464 
1 1 1 1  35 6  o 67.844  2.5164 46.182   2.3225  69.274  4.0555 66.415  2.9803 2.858643       5.032854 
1 1 1 1  35 8  o 52.726  3.0523 28.148   2.2303  53.642  4.7612 51.809  3.8205 1.832806       6.104525 
1 1 1 1  35 10 o 62.211  2.7202 39.237   2.3003  62.221  4.4126 62.201  3.1822 0.2025223E-01  5.440383 
1 1 1 1  35 12 o 77.095  2.6245 61.151   2.6949  74.089  4.3952 80.101  2.8696 -6.012039      5.249063 
1 1 1 1  35 14 o 62.796  2.8338 40.528   2.3882  61.172  4.6970 64.420  3.1717 -3.247395      5.667589 
1 1 1 1  35 16 o 71.808  2.6927 52.035   2.5297  73.174  4.5374 70.442  2.9006 2.732239       5.385320 
1 1 1 1  35 18 o 26.660  5.8778 8.0346   2.5781  23.318  9.3537 30.001  7.1207 -6.683001      11.75568 
1 1 1 1  35 20 o 27.585  5.8758 8.8015   2.4099  28.514  9.1252 26.656  7.4049 1.858503       11.75167 
1 1 1 1  35 22 o 33.235  6.0627 12.798   2.5681  34.405  10.424 32.066  6.1947 2.338482       12.12549 
1 1 1 1  35 24 o 33.419  6.3919 14.267   3.0938  34.761  9.0840 32.076  8.9949 2.684532       12.78384 
1 1 1 1  35 26 o 27.517  5.8109 9.3379   2.5855  22.227  8.3986 32.807  8.0329 -10.58048      11.62176 
1 1 1 1  35 28 o 15.001  4.5959 0.1596   1.8623  15.894  6.4400 14.107  6.5586 1.786950       9.191771 
1 1 1 1  35 30 o 15.725  4.9177 0.6028   2.1690  15.083  6.8457 16.367  7.0618 -1.283970      9.835299 
1 1 1 1  35 32 o 22.472  5.3412 6.8400   2.0412  25.035  7.6833 19.910  7.4217 5.125414       10.68246 
1 1 1 1  36 1  o 31.465  5.2453 10.851   2.2968  31.319  7.2693 31.611  7.5636 -0.2916451     10.49053 
1 1 1 1  36 3  o 73.435  2.3488 54.777   2.4246  70.283  3.5431 76.588  3.0846 -6.305283      4.697693 
1 1 1 1  36 5  o 55.466  2.9894 31.509   2.3266  53.349  4.5480 57.583  3.8810 -4.233685      5.978813 
1 1 1 1  36 7  f 16.964  4.7954 0.1084   2.0123  14.125  6.7010 19.804  6.8615 -5.679138      9.590818 
1 1 1 1  36 9  o 18.132  5.4473 0.7544   2.3843  19.680  8.2578 16.585  7.1065 3.095259       10.89459 
1 1 1 1  36 11 o 27.838  5.6204 8.5962   2.2951  28.094  8.5525 27.583  7.2946 0.5113754      11.24084 
1 1 1 1  36 13 o 75.687  2.5224 58.787   2.5848  74.184  4.1314 77.191  2.8951 -3.006874      5.044796 
1 1 1 1  36 15 o 53.453  3.0626 29.802   2.1180  52.313  5.2484 54.593  3.1579 -2.280037      6.125155 
1 1 1 1  36 17 o 58.854  3.0613 35.823   2.4538  59.457  4.9399 58.250  3.6172 1.206772       6.122661 
1 1 1 1  36 19 o 39.625  4.8641 17.339   2.4121  39.901  8.4228 39.349  4.8679 0.5515442      9.728291 
1 1 1 1  36 21 o 19.316  5.6665 2.6947   2.2695  21.744  9.1002 16.889  6.7544 4.855089       11.33292 
1 1 1 1  36 23 f 29.674  5.8189 10.452   2.3242  31.377  9.6479 27.971  6.5081 3.405891       11.63775 
1 1 1 1  36 25 o 48.967  3.4000 26.028   2.3266  51.731  4.3200 46.202  5.2515 5.529133       6.800056 
1 1 1 1  36 27 o 34.595  4.4802 13.811   2.1004  25.723  7.0092 43.466  5.5820 -17.74393      8.960321 
1 1 1 1  36 29 o 37.985  4.8438 17.755   2.5397  35.051  6.9876 40.919  6.7098 -5.867580      9.687504 
1 1 1 1  37 0  o 27.345  9.1792 9.9607   4.4695  27.345  9.1792 ?       ?      0.000000       0.000000 
1 1 1 1  37 2  o 62.581  2.7043 39.809   2.3837  64.438  3.9635 60.724  3.6802 3.713348       5.408632 
1 1 1 1  37 4  o 40.051  3.5653 16.595   2.0067  43.491  4.8448 36.612  5.2320 6.879463       7.130627 
1 1 1 1  37 6  o 16.100  4.9221 -0.1316  2.0707  17.810  7.3999 14.390  6.4924 3.420132       9.844272 
1 1 1 1  37 8  o 29.917  5.4144 10.430   2.4479  23.722  8.5764 36.112  6.6114 -12.38993      10.82888 
1 1 1 1  37 10 o 23.551  5.7470 5.9705   2.2566  25.121  8.8125 21.981  7.3790 3.140564       11.49390 
1 1 1 1  37 12 o 23.968  5.4613 5.7789   2.4538  18.639  8.1895 29.297  7.2274 -10.65781      10.92265 
1 1 1 1  37 14 o 41.176  4.1075 17.844   2.2227  42.831  6.8574 39.522  4.5236 3.309307       8.215083 
1 1 1 1  37 16 o 26.736  6.2395 8.4767   2.7331  26.244  9.3869 27.228  8.2227 -0.9840641     12.47903 
1 1 1 1  37 18 o 41.342  4.5933 18.845   2.3083  41.798  8.0791 40.886  4.3727 0.9120445      9.186516 
1 1 1 1  37 20 o 68.051  3.6160 49.047   3.3049  70.214  5.9109 65.888  4.1670 4.325241       7.232094 
1 1 1 1  37 22 o 43.246  5.7989 21.819   2.5844  42.928  10.847 43.563  4.1039 -0.6354752     11.59771 
1 1 1 1  37 24 o 30.367  4.5013 10.720   1.8571  26.444  6.3487 34.291  6.3830 -7.846853      9.002676 
1 1 1 1  37 26 o 16.475  4.9456 1.4970   2.0746  18.740  7.4771 14.210  6.4753 4.529534       9.891249 
1 1 1 1  37 28 o 23.221  5.8792 7.8063   2.4545  24.667  8.5141 21.774  8.1099 2.892464       11.75842 
1 1 1 1  38 1  o 44.342  3.9207 20.880   2.4578  44.235  5.6295 44.450  5.4585 -0.2152481     7.841337 
1 1 1 1  38 3  o 41.524  4.1972 18.610   2.3469  48.690  5.2454 34.357  6.5538 14.33350       8.394490 
1 1 1 1  38 5  o 50.674  3.3333 26.506   2.3599  55.056  4.8709 46.293  4.5516 8.762966       6.666575 
1 1 1 1  38 7  o 63.125  2.9095 41.317   2.5666  62.876  4.4682 63.374  3.7278 -0.4987755     5.819064 
1 1 1 1  38 9  o 56.456  3.1143 32.639   2.4099  60.350  4.8668 52.563  3.8872 7.786480       6.228663 
1 1 1 1  38 11 o 53.499  3.4541 29.870   2.5789  56.658  5.1839 50.339  4.5663 6.319244       6.908246 
1 1 1 1  38 13 o 18.964  5.3525 2.1709   2.1454  23.818  8.6735 14.111  6.2745 9.706893       10.70504 
1 1 1 1  38 15 o 30.673  5.7006 11.084   2.4519  36.504  8.5392 24.842  7.5544 11.66168       11.40117 
1 1 1 1  38 17 o 47.576  4.1387 25.294   2.5386  44.661  7.1483 50.491  4.1732 -5.829422      8.277316 
1 1 1 1  38 19 o 25.226  5.8762 7.9436   2.5109  22.825  9.2187 27.626  7.2893 -4.800812      11.75241 
1 1 1 1  38 21 o 27.189  6.8069 9.0287   2.9654  34.606  11.186 19.772  7.7592 14.83432       13.61389 
1 1 1 1  38 23 o 25.663  5.9211 9.0608   2.4398  24.089  9.6885 27.236  6.8097 -3.147675      11.84227 
1 1 1 1  38 25 o 44.863  3.8294 23.252   2.4246  44.254  5.6270 45.472  5.1954 -1.218666      7.658713 
1 1 1 1  39 0  o 108.355 3.1289 119.017  6.7681  108.355 3.1289 ?       ?      0.000000       0.000000 
1 1 1 1  39 2  o 86.940  2.2332 77.323   2.7456  87.564  3.1355 86.315  3.1809 1.248528       4.466462 
1 1 1 1  39 4  o 59.824  2.9049 37.158   2.4545  61.173  4.1751 58.476  4.0401 2.697399       5.809785 
1 1 1 1  39 6  o 42.845  4.6104 20.599   2.6574  40.863  7.4650 44.827  5.4127 -3.963188      9.220774 
1 1 1 1  39 8  o 21.754  5.3449 4.8904   2.2303  17.955  7.7614 25.552  7.3507 -7.596312      10.68985 
1 1 1 1  39 10 o 44.910  4.6311 22.894   2.6949  43.085  7.8485 46.735  4.9184 -3.649509      9.262282 
1 1 1 1  39 12 o 36.024  5.5205 15.152   2.5317  36.124  9.5678 35.923  5.5100 0.2007980      11.04092 
1 1 1 1  39 14 o 14.819  4.9551 -2.5492  2.2843  17.763  8.1859 11.874  5.5860 5.888699       9.910200 
1 1 1 1  39 16 o 34.875  5.1922 16.182   2.6270  23.525  9.1163 46.225  4.9726 -22.70066      10.38431 
1 1 1 1  39 18 o 30.378  6.1548 12.382   2.7099  27.658  10.514 33.098  6.4018 -5.439489      12.30958 
1 1 1 1  39 20 o 32.246  6.4612 14.824   2.9410  32.501  10.519 31.992  7.5059 0.5094261      12.92239 
1 1 1 1  39 22 o 16.864  5.4756 -0.9100  3.0946  16.085  7.8405 17.643  7.6455 -1.557875      10.95111 
1 1 1 1  40 1  o 30.223  5.3181 10.980   2.2662  30.361  7.5849 30.084  7.4564 0.2773209      10.63618 
1 1 1 1  40 3  o 23.456  5.6091 6.2938   2.1892  26.954  8.4971 19.957  7.3243 6.996401       11.21810 
1 1 1 1  40 5  o 34.931  5.2023 14.525   2.4885  36.605  7.2346 33.257  7.4776 3.347832       10.40454 
1 1 1 1  40 7  o 25.182  5.7799 7.4584   2.2227  29.101  9.0999 21.264  7.1288 7.836699       11.55978 
1 1 1 1  40 9  o 18.861  5.6613 2.3048   2.5848  19.304  8.4243 18.418  7.5652 0.8858395      11.32263 
1 1 1 1  40 11 o 17.494  5.2537 1.3778   2.3188  16.720  7.6724 18.268  7.1792 -1.548014      10.50749 
1 1 1 1  40 13 o 27.182  6.1608 9.7219   2.6651  25.279  10.083 29.086  7.0813 -3.806875      12.32153 
1 1 1 1  40 15 o 18.816  5.6622 2.9122   2.4621  20.868  8.8846 16.764  7.0218 4.104061       11.32435 
1 1 1 1  40 17 o 15.862  5.2465 -1.6746  2.6919  19.049  8.5466 12.676  6.0876 6.372181       10.49296 
1 1 1 1  40 19 o 16.302  5.4237 -1.1834  3.0269  17.378  8.3021 15.227  6.9815 2.150768       10.84746 
1 1 1 1  41 0  o 42.093  6.1432 19.538   4.9803  42.093  6.1432 ?       ?      0.000000       0.000000 
1 1 1 1  41 2  o 27.386  5.7887 9.7429   2.4836  24.394  8.6003 30.377  7.7506 -5.982416      11.57749 
1 1 1 1  41 4  o 30.326  5.4988 11.956   2.5397  23.752  8.7633 36.900  6.6447 -13.14808      10.99764 
1 1 1 1  41 6  o 52.621  3.3169 29.975   2.4479  51.919  5.0422 53.322  4.3108 -1.402718      6.633746 
1 1 1 1  41 8  o 30.201  6.1082 11.964   2.6505  32.710  9.4343 27.693  7.7610 5.017941       12.21632 
1 1 1 1  41 10 o 34.385  5.5718 16.019   2.4946  28.791  10.061 39.978  4.7914 -11.18653      11.14355 
1 1 1 1  41 12 o 73.060  3.7431 59.466   3.2351  72.101  6.7303 74.018  3.2780 -1.916786      7.486153 
1 1 1 1  41 14 o 38.836  5.6505 20.052   2.8909  36.676  9.6271 40.995  5.9185 -4.319740      11.30091 
1 1 1 1  41 16 o 34.857  5.6187 17.888   2.7505  26.653  9.9672 43.061  5.1897 -16.40856      11.23733 
1 1 1 1  42 1  o 16.453  5.2847 -0.2821  2.7396  15.329  7.2113 17.576  7.7271 -2.246800      10.56934 
1 1 1 1  42 3  o 21.439  5.9089 5.4467   2.7979  18.520  8.3054 24.358  8.4071 -5.838665      11.81771 
1 1 1 1  42 5  o 14.418  4.7608 -3.2486  2.5416  13.296  6.5490 15.539  6.9118 -2.243196      9.521697 
1 1 1 1  42 7  o 20.958  5.7303 5.6090   2.4640  19.751  8.2713 22.165  7.9328 -2.414299      11.46059 
1 1 1 1  42 9  o 27.472  6.1102 10.887   2.5633  30.365  9.3713 24.579  7.8431 5.786257       12.22031 
1 1 1 1  42 11 o 26.947  5.5462 10.598   2.8802  19.217  8.9881 34.677  6.5005 -15.45988      11.09245 
1 1 1 1  43 0  o 11.915  7.9548 0.5108   4.9803  11.915  7.9548 ?       ?      0.000000       0.000000 
1 1 1 1  43 2  o 21.945  5.7856 6.9647   2.4112  21.724  8.4240 22.166  7.9329 -0.4419937     11.57126 
1 1 1 2  1  1  f 550.700 4.9904 3027.29  38.771  531.378 6.9212 570.022 7.1913 -38.64362      9.980881 
1 1 1 2  1  3  o 531.339 4.4948 2824.01  33.767  524.116 6.3349 538.562 6.3784 -14.44623      8.989698 
1 1 1 2  1  5  o 233.555 2.0034 546.153  6.4137  232.623 3.2114 234.488 2.3962 -1.864700      4.006878 
1 1 1 2  1  7  o 1075.88 17.626 11605.97 379.272 1075.88 17.626 ?       ?      ?              ?        
1 1 1 2  1  9  o 396.772 2.6950 1569.26  14.672  392.193 3.2561 401.352 4.2954 -9.159058      5.390024 
1 1 1 2  1  11 o 606.970 3.7369 3695.10  31.410  613.904 4.6075 600.037 5.8845 13.86664       7.473745 
1 1 1 2  1  13 o 82.800  0.9273 68.575   1.0855  84.034  1.2917 81.566  1.3308 2.467659       1.854572 
1 1 1 2  1  15 o 484.120 3.1106 2344.34  21.280  481.837 4.3067 486.402 4.4895 -4.564575      6.221189 
1 1 1 2  1  17 o 365.313 2.3421 1333.64  12.081  360.867 3.2202 369.759 3.4018 -8.892426      4.684265 
1 1 1 2  1  19 o 1189.24 7.1665 14129.39 119.242 1174.70 9.2947 1203.77 10.911 -29.07068      14.33300 
1 1 1 2  1  21 o 370.565 2.4187 1372.75  12.661  373.605 3.5035 367.526 3.3356 6.078674       4.837468 
1 1 1 2  1  23 f 211.597 1.6861 444.706  4.9787  204.026 2.1907 219.169 2.5637 -15.14273      3.372182 
1 1 1 2  1  25 o 447.879 2.8476 2005.30  18.013  441.607 3.9328 454.150 4.1194 -12.54230      5.695252 
1 1 1 2  1  27 o 127.269 1.2771 161.719  2.2915  129.626 1.8718 124.912 1.7380 4.714012       2.554218 
1 1 1 2  1  29 o 377.753 4.1139 1448.90  19.912  367.483 7.1064 388.024 4.1467 -20.54086      8.227790 
1 1 1 2  1  31 o 144.286 1.6126 207.900  3.1762  143.454 1.9139 145.117 2.5960 -1.662582      3.225214 
1 1 1 2  1  33 o 164.888 1.5193 271.607  3.5365  168.408 2.1990 161.367 2.0971 7.040771       3.038688 
1 1 1 2  1  35 o 131.554 1.4415 173.162  2.6817  132.137 2.0295 130.972 2.0476 1.164841       2.882948 
1 1 1 2  1  37 o 55.420  1.8333 30.739   1.4359  53.924  2.6050 56.916  2.5802 -2.992310      3.666559 
1 1 1 2  1  39 o 89.952  1.6311 80.894   2.0707  91.545  2.3714 88.359  2.2401 3.185265       3.262189 
1 1 1 2  1  41 o 33.205  3.3161 11.131   1.4898  33.438  3.8190 32.971  5.4223 0.4666138      6.632252 
1 1 1 2  1  43 o 48.243  2.5436 23.661   1.6432  49.680  2.8275 46.805  4.2289 2.874527       5.087117 
1 1 1 2  1  45 o 98.691  1.7927 98.128   2.4836  101.139 2.3359 96.243  2.7201 4.896286       3.585395 
1 1 1 2  1  47 o 37.568  3.6341 14.640   1.8398  38.986  4.0945 36.150  6.0052 2.835392       7.268260 
1 1 1 2  1  49 o 26.344  4.8436 7.8030   1.8164  28.212  5.8540 24.475  7.7184 3.737816       9.687200 
1 1 1 2  1  51 o 29.303  4.6512 9.7551   1.8830  27.972  6.6982 30.634  6.4551 -2.661736      9.302402 
1 1 1 2  1  53 o 56.811  4.7943 37.777   2.1588  61.696  2.2768 51.925  9.3143 9.770279       9.588555 
1 1 1 2  1  55 o 18.971  5.2036 3.1224   2.1133  20.617  6.4321 17.326  8.1815 3.291504       10.40718 
1 1 1 2  2  0  o 354.966 3.6704 1260.54  26.051  354.966 3.6704 ?       ?      0.000000       0.000000 
1 1 1 2  2  2  o 673.648 5.6748 4533.98  53.967  692.207 8.1726 655.088 7.8755 37.11865       11.34965 
1 1 1 2  2  4  o 750.204 9.0643 5633.40  136.001 750.204 9.0643 ?       ?      ?              ?        
1 1 1 2  2  6  o 506.682 3.1366 2567.66  22.475  508.137 4.4482 505.227 4.4233 2.909943       6.273134 
1 1 1 2  2  8  o 452.612 2.8729 2048.75  18.388  449.199 4.0653 456.026 4.0604 -6.826996      5.745758 
1 1 1 2  2  10 o 284.787 2.0065 809.142  7.8391  282.391 2.4193 287.182 3.2016 -4.791443      4.012920 
1 1 1 2  2  12 o 173.301 1.3875 300.473  3.3540  173.670 1.7647 172.932 2.1415 0.7389221      2.774943 
1 1 1 2  2  14 o 342.719 2.3953 1173.75  11.430  341.117 3.0323 344.321 3.7088 -3.203674      4.790611 
1 1 1 2  2  16 o 368.294 2.6323 1350.02  12.959  363.630 2.9675 372.958 4.3485 -9.327850      5.264533 
1 1 1 2  2  18 o 686.066 4.9101 4724.93  45.718  693.016 5.6939 679.116 8.0011 13.89978       9.820287 
1 1 1 2  2  20 o 511.797 3.1362 2620.02  22.698  510.830 4.4623 512.764 4.4081 -1.934692      6.272404 
1 1 1 2  2  22 o 120.116 1.3153 143.653  2.2183  116.343 1.7562 123.890 1.9584 -7.547142      2.630547 
1 1 1 2  2  24 o 77.832  1.3426 60.733   1.4575  78.858  1.7003 76.806  2.0783 2.052132       2.685246 
1 1 1 2  2  26 o 367.365 2.3966 1350.11  12.451  367.581 3.4046 367.148 3.3738 0.4330139      4.793133 
1 1 1 2  2  28 o 354.919 2.3662 1260.36  11.876  351.960 3.3562 357.877 3.3364 -5.916626      4.732338 
1 1 1 2  2  30 o 127.028 1.5130 161.371  2.6072  126.934 1.7606 127.121 2.4612 -0.1874466     3.026047 
1 1 1 2  2  32 o 79.954  1.4216 64.182   1.5860  81.554  1.8007 78.354  2.2002 3.199547       2.843160 
1 1 1 2  2  34 o 135.781 1.4813 184.610  2.8410  138.463 2.0290 133.100 2.1587 5.362274       2.962595 
1 1 1 2  2  36 o 113.638 1.4915 128.798  2.2779  112.641 1.7005 114.636 2.4507 -1.995041      2.982941 
1 1 1 2  2  38 f 105.133 1.5636 110.366  2.2348  104.331 1.8360 105.934 2.5315 -1.603500      3.127192 
1 1 1 2  2  40 f 46.502  2.3800 21.579   1.5480  45.143  3.1117 47.860  3.6021 -2.717262      4.759976 
1 1 1 2  2  42 o 25.080  4.6895 6.5320   1.6432  23.863  5.9099 26.297  7.2827 -2.433746      9.378915 
1 1 1 2  2  44 o 83.277  1.9389 69.978   2.2626  86.893  2.4984 79.661  2.9657 7.231903       3.877763 
1 1 1 2  2  46 o 36.037  3.7820 14.110   1.7507  42.779  3.8807 29.294  6.4927 13.48483       7.564069 
1 1 1 2  2  48 o 19.947  4.8092 3.9194   1.6380  20.834  6.4185 19.059  7.1636 1.775173       9.618482 
1 1 1 2  2  50 o 16.995  4.8363 0.9320   1.8869  18.353  6.3162 15.638  7.3257 2.714838       9.672623 
1 1 1 2  2  52 f 51.153  3.4532 28.631   2.1727  54.455  3.1658 47.851  6.1380 6.604401       6.906377 
1 1 1 2  2  54 o 15.947  4.8410 0.6657   1.8297  11.853  5.4334 20.040  8.0137 -8.186563      9.682008 
1 1 1 2  2  56 o 14.286  4.7055 -1.8024  2.2695  14.113  6.2320 14.460  7.0519 -0.3474236     9.411036 
1 1 1 2  3  3  o 762.988 6.3044 5819.51  67.897  776.109 9.1567 749.867 8.6682 26.24109       12.60878 
1 1 1 2  3  5  f 320.501 2.7193 1022.56  12.017  326.163 4.2872 314.839 3.3463 11.32330       5.438519 
1 1 1 2  3  7  o 854.776 7.0408 7311.95  85.110  858.667 9.9717 850.884 9.9428 7.782837       14.08168 
1 1 1 2  3  9  o 439.746 3.0016 1934.93  18.520  441.109 3.9227 438.384 4.5443 2.725006       6.003178 
1 1 1 2  3  11 o 459.278 2.9250 2104.60  18.513  454.949 3.5788 463.608 4.6276 -8.658875      5.849995 
1 1 1 2  3  13 o 387.895 2.6124 1501.12  13.981  383.992 3.2092 391.798 4.1231 -7.805939      5.224833 
1 1 1 2  3  15 o 499.279 3.1909 2498.82  22.070  503.524 3.9437 495.033 5.0174 8.491241       6.381782 
1 1 1 2  3  17 o 221.399 1.7322 488.924  5.2145  219.614 2.0352 223.185 2.8037 -3.570923      3.464457 
1 1 1 2  3  19 o 211.293 2.3941 446.504  7.1461  211.279 3.2941 211.307 3.4749 -0.2876282E-01 4.788128 
1 1 1 2  3  21 o 323.149 2.2188 1043.69  9.9716  322.136 2.7948 324.161 3.4470 -2.025848      4.437617 
1 1 1 2  3  23 o 419.193 2.8555 1755.52  16.766  415.824 3.7160 422.563 4.3367 -6.739166      5.710943 
1 1 1 2  3  25 o 71.761  1.4685 51.819   1.4436  73.319  1.7417 70.202  2.3648 3.116791       2.936948 
1 1 1 2  3  27 o 230.190 1.7618 527.342  5.5213  226.581 2.0853 233.799 2.8402 -7.218933      3.523561 
1 1 1 2  3  29 o 98.075  1.8844 94.446   2.5416  104.708 2.9270 91.441  2.3741 13.26665       3.768792 
1 1 1 2  3  31 o 116.808 1.6055 137.021  2.4720  117.857 1.7336 115.759 2.7027 2.097733       3.210965 
1 1 1 2  3  33 o 28.556  3.2518 8.3197   1.2738  29.443  4.1204 27.670  5.0318 1.772654       6.503545 
1 1 1 2  3  35 o 72.277  1.7657 52.613   1.7878  78.020  2.2915 66.535  2.6870 11.48431       3.531425 
1 1 1 2  3  37 o 42.061  2.2843 17.872   1.3287  43.587  2.7833 40.535  3.6230 3.052261       4.568668 
1 1 1 2  3  39 o 107.424 1.4561 115.395  2.1802  106.929 1.8511 107.920 2.2483 -0.9912109     2.912255 
1 1 1 2  3  41 f 54.813  2.0600 30.122   1.5937  54.471  2.8133 55.156  3.0098 -0.6856499     4.119907 
1 1 1 2  3  43 o 74.146  1.8099 55.351   1.8701  75.629  2.2795 72.663  2.8119 2.966042       3.619785 
1 1 1 2  3  45 o 16.634  4.5522 0.8187   1.7308  19.410  6.4610 13.859  6.4144 5.550535       9.104340 
1 1 1 2  3  47 o 26.173  4.7725 7.0600   1.6419  23.419  5.5339 28.926  7.7770 -5.507442      9.544971 
1 1 1 2  3  49 o 22.469  4.8004 5.4729   1.6419  24.200  5.4135 20.738  7.9290 3.461744       9.600760 
1 1 1 2  3  51 o 18.861  5.5584 1.6925   2.0364  13.113  5.7760 24.608  9.4984 -11.49557      11.11673 
1 1 1 2  3  53 o 45.187  4.5526 24.963   2.3384  53.796  3.5607 36.577  8.3801 17.21844       9.105157 
1 1 1 2  3  55 o 13.517  4.4880 -2.0207  2.0507  12.317  5.6980 14.716  6.9355 -2.398534      8.975981 
1 1 1 2  4  0  o 806.598 7.8940 6510.06  127.318 806.598 7.8940 ?       ?      0.000000       0.000000 
1 1 1 2  4  2  o 710.041 4.1425 5041.92  41.583  702.901 5.8046 717.180 5.9116 -14.27942      8.284925 
1 1 1 2  4  4  o 610.763 3.6818 3731.22  31.789  610.818 5.2894 610.708 5.1230 0.1101074      7.363605 
1 1 1 2  4  6  o 741.162 4.4077 5494.33  46.177  743.312 6.3394 739.013 6.1257 4.298218       8.815489 
1 1 1 2  4  8  o 807.863 5.0961 6522.95  57.661  803.044 6.6232 812.682 7.7468 -9.638000      10.19213 
1 1 1 2  4  10 o 165.788 1.9063 274.601  4.4613  163.401 2.6181 168.176 2.7716 -4.774323      3.812599 
1 1 1 2  4  12 o 548.834 3.4647 3010.50  26.134  546.844 4.1917 550.823 5.5177 -3.979126      6.929341 
1 1 1 2  4  14 o 210.028 1.9286 441.960  5.7144  217.644 2.6110 202.413 2.8390 15.23128       3.857122 
1 1 1 2  4  16 o 216.452 1.8521 464.960  5.3372  212.341 2.0748 220.562 3.0686 -8.221893      3.704197 
1 1 1 2  4  18 o 561.367 3.5633 3162.94  27.709  569.710 4.3934 553.024 5.6112 16.68573       7.126508 
1 1 1 2  4  20 o 317.116 2.4653 1010.37  10.354  320.629 2.6884 313.604 4.1331 7.025055       4.930545 
1 1 1 2  4  22 o 367.912 2.4493 1348.69  12.248  363.613 2.8798 372.211 3.9627 -8.598511      4.898585 
1 1 1 2  4  24 o 157.286 1.4767 247.254  3.1950  156.903 1.7905 157.669 2.3488 -0.7658997     2.953465 
1 1 1 2  4  26 o 162.988 1.4947 264.609  3.3298  160.799 1.7869 165.178 2.3966 -4.378998      2.989450 
1 1 1 2  4  28 o 133.532 1.3244 178.932  2.4885  138.529 1.7515 128.534 1.9870 9.994949       2.648774 
1 1 1 2  4  30 o 21.229  4.5779 4.4858   1.4672  20.319  5.9234 22.139  6.9815 -1.819426      9.155757 
1 1 1 2  4  32 o 269.982 2.1739 732.706  8.0854  274.459 2.6288 265.504 3.4630 8.954803       4.347795 
1 1 1 2  4  34 o 135.139 1.4651 181.450  2.6949  132.245 1.7382 138.033 2.3591 -5.788101      2.930295 
1 1 1 2  4  36 o 76.026  1.6679 58.750   1.6388  78.518  1.7077 73.534  2.8654 4.983360       3.335701 
1 1 1 2  4  38 o 44.211  2.8718 20.295   1.5029  46.563  2.4683 41.860  5.1862 4.703300       5.743608 
1 1 1 2  4  40 o 52.190  2.8710 28.450   1.7585  55.314  2.4241 49.067  5.2052 6.247398       5.741976 
1 1 1 2  4  42 o 87.325  2.1417 74.517   2.2412  83.889  1.9789 90.761  3.7989 -6.871483      4.283439 
1 1 1 2  4  44 o 32.116  4.5736 10.109   1.7432  29.545  4.3223 34.687  8.0616 -5.141813      9.147190 
1 1 1 2  4  46 o 16.091  4.8193 0.4632   1.8181  14.460  6.1231 17.723  7.4439 -3.262351      9.638697 
1 1 1 2  4  48 o 30.007  4.4917 10.339   1.6579  34.532  3.6981 25.482  8.1869 9.049673       8.983403 
1 1 1 2  4  50 o 17.791  4.7187 2.5635   1.6861  19.552  6.4610 16.030  6.8789 3.521818       9.437402 
1 1 1 2  4  52 o 27.161  4.6721 8.7352   1.8057  30.840  5.5886 23.483  7.4887 7.356298       9.344119 
1 1 1 2  4  54 o 20.163  4.8660 3.5568   1.9218  13.201  5.9972 27.126  7.6646 -13.92477      9.732056 
1 1 1 2  4  56 o 18.154  4.9923 2.9336   2.1213  20.944  6.8695 15.363  7.2459 5.581047       9.984630 
1 1 1 2  5  1  f 364.173 2.3685 1326.17  12.187  365.198 3.4268 363.148 3.2703 2.049408       4.736902 
1 1 1 2  5  3  o 829.007 5.6540 6864.59  66.176  851.573 8.1353 806.441 7.8542 45.13220       11.30802 
1 1 1 2  5  5  o 490.606 3.9898 2389.43  27.093  475.500 5.0087 505.712 6.2119 -30.21204      7.979636 
1 1 1 2  5  7  o 735.171 4.3969 5404.77  45.699  726.144 6.1727 744.199 6.2632 -18.05548      8.793791 
1 1 1 2  5  9  o 437.696 2.7644 1915.74  17.106  440.576 3.9565 434.816 3.8620 5.759186       5.528897 
1 1 1 2  5  11 o 435.501 2.8408 1897.11  17.494  430.276 4.0363 440.727 3.9986 -10.45169      5.681582 
1 1 1 2  5  13 o 305.837 2.1803 936.539  9.2206  307.129 2.6818 304.545 3.4384 2.584930       4.360604 
1 1 1 2  5  15 o 194.465 1.7558 380.141  4.6624  197.800 2.0659 191.130 2.8396 6.670517       3.511602 
1 1 1 2  5  17 o 331.550 2.4415 1094.16  10.417  328.403 2.5276 334.698 4.1779 -6.294861      4.882949 
1 1 1 2  5  19 o 452.192 3.2365 2050.52  18.443  454.331 3.1902 450.053 5.6324 4.277863       6.473087 
1 1 1 2  5  21 o 386.826 2.9927 1487.96  14.168  383.160 2.8162 390.491 5.2815 -7.331024      5.985413 
1 1 1 2  5  23 o 136.538 1.4330 186.418  2.6051  136.493 1.5905 136.582 2.3842 -0.8845520E-01 2.866013 
1 1 1 2  5  25 o 227.378 1.9798 506.695  5.5050  219.984 1.8866 234.773 3.4812 -14.78949      3.959540 
1 1 1 2  5  27 o 317.600 2.3885 1006.48  9.7990  315.862 2.4864 319.338 4.0789 -3.476654      4.776991 
1 1 1 2  5  29 o 126.811 1.5380 162.536  2.5844  130.066 1.6691 123.556 2.5839 6.509766       3.076064 
1 1 1 2  5  31 o 279.504 2.6155 790.083  8.9016  284.125 2.4046 274.883 4.6456 9.241669       5.231055 
1 1 1 2  5  33 o 136.927 1.6735 190.189  2.8910  140.443 1.6367 133.411 2.9194 7.031891       3.346925 
1 1 1 2  5  35 o 49.263  2.2833 25.078   1.4183  52.259  2.1993 46.267  4.0021 5.991684       4.566589 
1 1 1 2  5  37 f 109.693 1.8114 118.634  2.3397  107.296 1.6067 112.090 3.2469 -4.793434      3.622721 
1 1 1 2  5  39 o 236.764 2.1797 558.462  6.4821  234.368 2.1522 239.158 3.7911 -4.790009      4.359437 
1 1 1 2  5  41 o 77.438  2.0500 59.034   1.9437  75.161  1.9539 79.715  3.6044 -4.554375      4.099931 
1 1 1 2  5  43 o 28.377  4.7491 8.0560   1.6450  26.197  4.8107 30.557  8.1897 -4.360285      9.498101 
1 1 1 2  5  45 o 54.686  3.1839 31.868   1.9137  58.485  2.4018 50.886  5.8974 7.598930       6.367736 
1 1 1 2  5  47 o 16.677  4.8388 0.6605   1.7438  12.150  5.4764 21.203  7.9791 -9.052050      9.677657 
1 1 1 2  5  49 o 41.358  3.4556 17.686   1.9500  39.917  4.1589 42.799  5.5199 -2.882019      6.911269 
1 1 1 2  5  51 o 17.738  5.0077 2.0858   1.8623  14.430  6.1844 21.046  7.8779 -6.615189      10.01538 
1 1 1 2  5  53 o 18.433  5.1409 3.0249   2.0113  19.375  7.0793 17.492  7.4564 1.882931       10.28174 
1 1 1 2  5  55 f 15.057  4.6601 0.7878   1.8571  13.600  6.0469 16.513  7.0922 -2.912745      9.320116 
1 1 1 2  6  0  o 791.277 6.6098 6263.60  104.587 791.277 6.6098 ?       ?      0.000000       0.000000 
1 1 1 2  6  2  o 973.810 8.0079 9492.81  110.265 986.898 11.245 960.722 11.405 26.17511       16.01582 
1 1 1 2  6  4  o 887.361 5.1442 7877.26  64.545  886.520 7.2024 888.203 7.3469 -1.682739      10.28838 
1 1 1 2  6  6  o 777.516 4.6894 6047.92  51.556  775.966 6.6980 779.067 6.5648 -3.100891      9.378699 
1 1 1 2  6  8  o 507.782 3.1742 2578.72  22.790  510.999 4.5233 504.565 4.4544 6.434509       6.348365 
1 1 1 2  6  10 o 380.202 2.4697 1444.68  13.266  386.195 3.5546 374.210 3.4296 11.98517       4.939406 
1 1 1 2  6  12 o 198.234 1.6635 392.609  4.6471  196.142 2.2462 200.326 2.4542 -4.184341      3.326949 
1 1 1 2  6  14 o 168.722 1.7150 284.538  4.0705  169.535 2.5610 167.910 2.2816 1.625000       3.429950 
1 1 1 2  6  16 o 639.967 4.5374 4097.95  36.784  640.164 4.5282 639.771 7.8644 0.3926392      9.074893 
1 1 1 2  6  18 o 242.660 1.9057 585.521  5.9025  240.007 1.9421 245.312 3.2796 -5.305023      3.811445 
1 1 1 2  6  20 o 90.594  1.4799 82.464   1.8787  93.730  1.9074 87.457  2.2632 6.273285       2.959804 
1 1 1 2  6  22 o 294.510 2.3796 872.547  8.9126  297.746 2.3804 291.274 4.1212 6.471863       4.759216 
1 1 1 2  6  24 o 270.146 2.1077 738.151  7.4360  276.851 2.2141 263.442 3.5871 13.40921       4.215353 
1 1 1 2  6  26 o 105.997 1.5166 110.789  1.9988  103.442 1.4814 108.551 2.6469 -5.108322      3.033293 
1 1 1 2  6  28 o 73.998  1.3365 55.075   1.3364  75.209  1.5282 72.788  2.1930 2.420883       2.672945 
1 1 1 2  6  30 o 112.029 2.3729 128.621  2.8643  115.283 1.7723 108.774 4.4025 6.509438       4.745877 
1 1 1 2  6  32 o 124.967 1.5168 153.219  2.3936  120.589 1.5355 129.344 2.6163 -8.755600      3.033643 
1 1 1 2  6  34 o 203.623 2.0090 412.588  4.9235  201.821 1.8350 205.424 3.5745 -3.603745      4.017933 
1 1 1 2  6  36 o 136.466 1.7044 187.210  2.9255  137.533 1.6713 135.399 2.9709 2.134003       3.408755 
1 1 1 2  6  38 o 125.722 1.6564 159.656  2.6832  128.063 1.6952 123.380 2.8463 4.682465       3.312869 
1 1 1 2  6  40 o 52.985  2.3596 28.562   1.6861  55.181  2.6613 50.789  3.8973 4.392731       4.719251 
1 1 1 2  6  42 o 60.962  2.3054 37.065   1.7431  60.259  2.2251 61.664  4.0383 -1.404564      4.610758 
1 1 1 2  6  44 o 21.306  4.7872 4.3897   1.6761  23.544  5.7392 19.068  7.6635 4.476025       9.574315 
1 1 1 2  6  46 o 26.254  4.2232 7.4355   1.9052  36.294  4.3981 16.213  7.2109 20.08130       8.446322 
1 1 1 2  6  48 o 47.284  3.2233 23.020   1.9332  47.743  3.2097 46.824  5.5908 0.9188194      6.446671 
1 1 1 2  6  50 o 39.711  3.5850 16.498   1.8784  38.940  3.9353 40.481  5.9937 -1.541054      7.170093 
1 1 1 2  6  52 o 45.749  3.7374 23.167   2.2348  49.592  3.8625 41.906  6.3994 7.686516       7.474734 
1 1 1 2  6  54 o 14.599  4.6130 -0.0712  1.9050  14.039  6.1627 15.159  6.8659 -1.120584      9.226000 
1 1 1 2  7  1  o 1151.07 13.169 13268.51 303.162 ?       ?      1151.07 13.169 ?              ?        
1 1 1 2  7  3  o 464.685 3.2316 2156.96  21.068  468.670 4.8773 460.700 4.2410 7.970184       6.463289 
1 1 1 2  7  5  o 572.466 3.5371 3277.02  28.624  577.644 5.0625 567.289 4.9411 10.35553       7.074176 
1 1 1 2  7  7  o 929.864 5.9469 8622.49  77.115  912.286 7.6289 947.442 9.1249 -35.15576      11.89386 
1 1 1 2  7  9  f 476.707 3.0313 2273.18  20.422  477.112 4.3761 476.302 4.1959 0.8099976      6.062690 
1 1 1 2  7  11 o 274.319 1.9455 749.197  7.4429  280.691 2.9799 267.947 2.5021 12.74423       3.891085 
1 1 1 2  7  13 f 459.362 2.9006 2111.32  18.830  456.649 4.1947 462.075 4.0073 -5.425995      5.801201 
1 1 1 2  7  15 f 583.249 3.5708 3402.02  29.385  584.950 5.2395 581.548 4.8529 3.401123       7.141605 
1 1 1 2  7  17 o 617.128 4.2025 3830.04  33.687  624.083 4.3891 610.173 7.1681 13.90942       8.405093 
1 1 1 2  7  19 o 239.502 2.6783 572.512  9.0218  243.578 3.9845 235.427 3.5800 8.151535       5.356517 
1 1 1 2  7  21 o 130.184 1.4290 168.241  2.3609  128.396 1.4421 131.971 2.4675 -3.575073      2.858025 
1 1 1 2  7  23 o 290.656 2.2861 840.183  8.4859  287.439 2.3324 293.873 3.9326 -6.433502      4.572282 
1 1 1 2  7  25 o 340.736 2.5835 1159.06  11.339  339.269 2.6724 342.203 4.4221 -2.934082      5.166903 
1 1 1 2  7  27 o 126.033 1.7936 158.366  3.1810  135.630 2.4951 116.435 2.5774 19.19567       3.587241 
1 1 1 2  7  29 o 164.521 2.3136 273.935  5.0605  169.240 2.5278 159.802 3.8757 9.438248       4.627189 
1 1 1 2  7  31 o 255.317 2.3489 647.238  7.4141  251.861 2.2563 258.773 4.1206 -6.912094      4.697898 
1 1 1 2  7  33 o 204.965 2.1876 419.072  5.3634  203.927 1.9726 206.003 3.9054 -2.075516      4.375252 
1 1 1 2  7  35 o 45.401  2.8151 21.425   1.5902  48.448  2.6358 42.353  4.9750 6.094719       5.630104 
1 1 1 2  7  37 o 87.259  1.5421 76.713   1.7724  88.594  1.6576 85.925  2.6008 2.669487       3.084170 
1 1 1 2  7  39 o 131.046 1.6052 173.087  2.8038  133.270 1.7727 128.821 2.6765 4.449615       3.210329 
1 1 1 2  7  41 o 93.231  1.7881 86.758   2.2566  92.074  2.0804 94.389  2.9088 -2.314888      3.576195 
1 1 1 2  7  43 o 44.561  3.0402 19.921   1.8964  43.167  3.9937 45.956  4.5850 -2.789097      6.080445 
1 1 1 2  7  45 o 25.545  4.6680 7.0283   1.6861  27.111  5.6071 23.979  7.4647 3.131861       9.336041 
1 1 1 2  7  47 o 42.543  2.8633 19.012   1.5524  45.407  2.8123 39.679  4.9884 5.727894       5.726559 
1 1 1 2  7  49 o 15.757  4.7178 0.2664   1.8164  12.542  5.7173 18.972  7.5062 -6.429986      9.435581 
1 1 1 2  7  51 o 20.336  5.0049 4.4785   1.7251  20.410  6.2754 20.262  7.7984 0.1481628      10.00976 
1 1 1 2  7  53 o 16.531  5.0388 1.3234   1.9503  14.293  6.0903 18.769  8.0290 -4.476457      10.07752 
1 1 1 2  7  55 o 20.179  5.3893 4.9963   2.1550  21.486  7.0004 18.872  8.1958 2.614298       10.77854 
1 1 1 2  8  0  o 608.154 5.5235 3700.01  67.171  608.154 5.5235 ?       ?      0.000000       0.000000 
1 1 1 2  8  2  o 710.398 4.2709 5048.55  42.907  705.712 6.0529 715.084 6.0271 -9.372009      8.541885 
1 1 1 2  8  4  f 745.544 4.5211 5561.56  47.664  740.140 6.4442 750.948 6.3430 -10.80865      9.042197 
1 1 1 2  8  6  o 627.642 3.9610 3937.47  35.068  634.805 5.8036 620.480 5.3922 14.32440       7.922004 
1 1 1 2  8  8  o 430.495 2.8421 1853.07  17.292  426.190 3.9552 434.800 4.0824 -8.610291      5.684160 
1 1 1 2  8  10 o 318.229 2.2507 1012.35  10.091  320.101 3.3311 316.358 3.0275 3.743469       4.501331 
1 1 1 2  8  12 o 606.248 3.7199 3673.14  31.829  615.439 5.4156 597.058 5.1011 18.38110       7.439797 
1 1 1 2  8  14 o 267.111 2.1448 711.294  7.8810  270.202 3.4028 264.020 2.6119 6.182892       4.289635 
1 1 1 2  8  16 o 482.542 3.0128 2328.94  20.560  482.839 4.2713 482.244 4.2501 0.5948181      6.025607 
1 1 1 2  8  18 o 571.671 3.8913 3261.28  28.467  568.988 3.9725 574.354 6.6924 -5.366821      7.782591 
1 1 1 2  8  20 o 287.980 2.2335 828.379  8.4048  287.160 2.3792 288.800 3.7806 -1.639984      4.466936 
1 1 1 2  8  22 o 134.078 1.4281 177.977  2.4802  131.296 1.5076 136.860 2.4260 -5.564453      2.856258 
1 1 1 2  8  24 o 405.770 3.1102 1626.53  15.476  397.371 2.9566 414.169 5.4729 -16.79742      6.220410 
1 1 1 2  8  26 o 116.576 1.6031 135.604  2.3609  116.063 1.5954 117.089 2.7811 -1.025276      3.206223 
1 1 1 2  8  28 o 97.876  1.5349 95.520   2.0587  96.804  1.8468 98.947  2.4521 -2.143242      3.069812 
1 1 1 2  8  30 o 131.752 1.8385 175.093  3.0623  133.736 1.8143 129.769 3.1982 3.966751       3.676964 
1 1 1 2  8  32 o 127.987 1.4736 164.591  2.5416  129.568 1.6755 126.406 2.4246 3.161903       2.947195 
1 1 1 2  8  34 o 80.595  1.5694 64.923   1.6857  80.368  1.7479 80.822  2.6070 -0.4542618     3.138743 
1 1 1 2  8  36 o 70.013  2.0384 49.626   1.9464  72.581  2.3752 67.445  3.3135 5.136475       4.076873 
1 1 1 2  8  38 o 75.012  2.0228 55.919   1.8018  74.161  1.8080 75.863  3.6191 -1.701637      4.045624 
1 1 1 2  8  40 o 50.428  2.5080 26.215   1.5902  52.948  2.4118 47.909  4.3981 5.039284       5.015974 
1 1 1 2  8  42 o 65.572  2.2845 42.208   1.8978  62.838  2.3371 68.306  3.9260 -5.468094      4.568965 
1 1 1 2  8  44 o 14.004  4.3060 -0.5925  1.5733  11.862  5.3955 16.145  6.7123 -4.283496      8.611946 
1 1 1 2  8  46 o 29.703  4.3247 9.4499   1.6857  31.237  4.4970 28.168  7.3885 3.068291       8.649477 
1 1 1 2  8  48 o 34.727  4.1004 13.088   1.7921  36.267  4.0493 33.187  7.1312 3.079697       8.200709 
1 1 1 2  8  50 o 14.127  4.4811 -0.8587  1.7966  13.387  5.8982 14.867  6.7477 -1.480147      8.962155 
1 1 1 2  8  52 o 22.473  5.3022 5.9772   1.9608  22.072  7.1250 22.875  7.8540 -0.8030949     10.60434 
1 1 1 2  8  54 o 14.089  4.5701 -0.8380  1.9714  12.628  5.7837 15.549  7.0776 -2.921239      9.140207 
1 1 1 2  9  1  o 480.193 3.1215 2306.46  21.198  478.890 4.3999 481.495 4.4291 -2.604492      6.243097 
1 1 1 2  9  3  o 547.536 3.4715 2999.11  26.881  547.041 4.9022 548.031 4.9167 -0.9901733     6.943018 
1 1 1 2  9  5  o 486.550 3.1369 2367.61  21.566  488.868 4.5321 484.232 4.3382 4.636230       6.273745 
1 1 1 2  9  7  o 450.638 2.9759 2031.62  18.962  449.595 4.2605 451.681 4.1560 -2.086334      5.951875 
1 1 1 2  9  9  f 507.151 3.2508 2574.26  23.305  500.244 4.6843 514.058 4.5088 -13.81421      6.501695 
1 1 1 2  9  11 o 238.022 1.8055 566.593  6.0416  238.074 2.7088 237.970 2.3880 0.1038818      3.611090 
1 1 1 2  9  13 o 1240.23 7.6697 15383.76 133.273 1230.63 9.9929 1249.82 11.638 -19.18835      15.33936 
1 1 1 2  9  15 o 745.505 4.4537 5555.28  46.906  732.622 6.1879 758.388 6.4070 -25.76514      8.907304 
1 1 1 2  9  17 o 283.659 1.9419 804.625  7.7877  284.548 2.7825 282.770 2.7096 1.777405       3.883849 
1 1 1 2  9  19 o 292.689 2.0360 857.665  8.2547  293.970 2.5195 291.408 3.1990 2.561920       4.072058 
1 1 1 2  9  21 o 471.134 3.3599 2204.16  20.014  464.671 3.3665 477.596 5.8156 -12.92484      6.719711 
1 1 1 2  9  23 o 263.870 2.2887 699.720  7.9889  266.792 2.4890 260.948 3.8416 5.844086       4.577423 
1 1 1 2  9  25 o 219.827 1.9491 483.279  5.2989  219.747 1.8596 219.907 3.4262 -0.1604309     3.898289 
1 1 1 2  9  27 o 62.719  1.7145 38.783   1.4183  60.638  1.8954 64.801  2.8575 -4.163235      3.428918 
1 1 1 2  9  29 o 198.912 2.1122 389.847  5.3719  193.030 2.1832 204.794 3.6166 -11.76410      4.224477 
1 1 1 2  9  31 o 137.921 1.7544 187.146  2.9086  134.406 1.6152 141.435 3.1150 -7.029388      3.508842 
1 1 1 2  9  33 o 202.696 1.9139 412.111  5.0407  203.637 2.0067 201.755 3.2597 1.881729       3.827860 
1 1 1 2  9  35 o 56.572  1.9911 32.100   1.5116  56.813  2.2477 56.331  3.2871 0.4819794      3.982150 
1 1 1 2  9  37 o 33.763  3.0215 11.118   1.3508  31.523  3.4434 36.002  4.9659 -4.478865      6.042911 
1 1 1 2  9  39 o 31.536  4.2958 10.046   1.6175  30.870  3.9299 32.201  7.6400 -1.331125      8.591509 
1 1 1 2  9  41 o 20.482  4.9043 3.7885   1.6175  20.937  5.6593 20.026  8.0114 0.9110718      9.808681 
1 1 1 2  9  43 o 85.052  1.7757 72.790   1.9646  85.606  1.8647 84.498  3.0226 1.108215       3.551479 
1 1 1 2  9  45 o 21.278  5.1237 4.4035   1.7966  20.134  6.6000 22.423  7.8390 -2.289610      10.24744 
1 1 1 2  9  47 o 66.838  2.2670 45.258   2.0374  66.948  2.5751 66.729  3.7318 0.2185211      4.534001 
1 1 1 2  9  49 o 47.094  2.9907 23.069   1.9608  47.475  3.7658 46.714  4.6472 0.7608490      5.981488 
1 1 1 2  9  51 o 24.497  5.7107 7.1087   2.2702  22.328  7.6210 26.667  8.5068 -4.339338      11.42130 
1 1 1 2  9  53 o 19.439  5.2205 3.8160   1.9831  20.284  6.6000 18.594  8.0903 1.689686       10.44090 
1 1 1 2  9  55 o 16.356  4.9996 1.7249   1.9332  12.735  5.7311 19.977  8.1939 -7.241862      9.999281 
1 1 1 2  10 0  o 498.519 4.5605 2486.34  45.462  498.519 4.5605 ?       ?      0.000000       0.000000 
1 1 1 2  10 2  o 238.742 1.8454 570.167  6.2174  238.099 2.7085 239.385 2.5072 -1.286057      3.690826 
1 1 1 2  10 4  o 352.105 2.4425 1239.51  12.157  357.234 3.4853 346.975 3.4228 10.25949       4.884978 
1 1 1 2  10 6  f 549.203 3.3620 3016.43  26.099  557.026 4.8029 541.381 4.7058 15.64539       6.724012 
1 1 1 2  10 8  o 204.270 1.6245 417.142  4.6911  200.519 2.2927 208.020 2.3021 -7.500854      3.248978 
1 1 1 2  10 10 o 868.758 5.2640 7553.04  64.586  870.080 7.6613 867.435 7.2210 2.644470       10.52800 
1 1 1 2  10 12 o 926.804 5.4369 8594.51  71.232  930.133 7.8051 923.475 7.5710 6.658691       10.87381 
1 1 1 2  10 14 o 428.031 3.0385 1834.65  18.333  433.874 4.0764 422.187 4.5069 11.68677       6.076939 
1 1 1 2  10 16 o 747.166 4.4081 5584.49  46.573  738.766 6.2315 755.567 6.2366 -16.80103      8.816273 
1 1 1 2  10 18 o 680.266 4.0652 4630.25  39.108  676.593 5.7660 683.940 5.7321 -7.347412      8.130457 
1 1 1 2  10 20 o 350.194 2.4269 1223.39  11.815  345.856 3.0646 354.531 3.7641 -8.674896      4.853867 
1 1 1 2  10 22 o 574.303 4.0583 3302.84  29.750  574.775 4.1102 573.831 6.9989 0.9431763      8.116579 
1 1 1 2  10 24 o 182.665 1.6499 331.405  3.8664  180.159 1.7012 185.171 2.8275 -5.011581      3.299824 
1 1 1 2  10 26 o 229.207 1.9109 527.334  5.7499  230.955 2.0458 227.460 3.2282 3.495087       3.821846 
1 1 1 2  10 28 o 243.322 2.1807 595.870  7.2988  248.592 2.6198 238.052 3.4869 10.54074       4.361407 
1 1 1 2  10 30 o 75.874  1.8005 56.682   1.7272  73.658  1.8204 78.090  3.1071 -4.432487      3.601076 
1 1 1 2  10 32 o 238.892 2.3318 568.014  6.9409  236.480 2.2680 241.303 4.0749 -4.822540      4.663597 
1 1 1 2  10 34 o 83.264  1.7504 69.656   1.9256  84.010  1.9001 82.519  2.9403 1.490364       3.500820 
1 1 1 2  10 36 o 153.557 1.6888 238.383  3.3639  156.777 1.7513 150.336 2.8881 6.440887       3.377561 
1 1 1 2  10 38 o 75.247  1.9968 57.258   1.9155  76.601  2.0005 73.894  3.4563 2.707367       3.993532 
1 1 1 2  10 40 o 43.005  3.4871 19.555   1.7962  46.370  3.0293 39.640  6.2820 6.730431       6.974237 
1 1 1 2  10 42 o 123.176 1.8466 150.755  2.9900  120.595 2.0120 125.758 3.0971 -5.162979      3.693255 
1 1 1 2  10 44 o 83.966  1.8662 70.926   2.1802  84.314  2.3476 83.617  2.9017 0.6969910      3.732443 
1 1 1 2  10 46 o 39.977  3.6114 16.338   2.0253  36.580  5.0619 43.374  5.1524 -6.793198      7.222857 
1 1 1 2  10 48 o 85.226  2.2076 73.570   2.4121  84.509  2.2666 85.943  3.7890 -1.434128      4.415217 
1 1 1 2  10 50 o 26.816  4.8150 8.5661   1.8284  31.106  4.5158 22.526  8.5055 8.580450       9.629986 
1 1 1 2  10 52 f 15.898  4.6881 1.2837   1.8057  17.096  6.6920 14.700  6.5673 2.396403       9.376169 
1 1 1 2  10 54 o 12.854  4.1401 -1.5702  1.7216  10.518  5.0928 15.190  6.5287 -4.672056      8.280148 
1 1 1 2  11 1  o 158.941 1.5061 252.696  3.3829  159.605 2.0803 158.278 2.1784 1.326355       3.012138 
1 1 1 2  11 3  o 155.641 1.4948 242.376  3.2880  157.754 2.0642 153.528 2.1626 4.225845       2.989633 
1 1 1 2  11 5  o 176.580 1.5853 311.817  3.9577  177.086 2.2715 176.074 2.2121 1.011780       3.170668 
1 1 1 2  11 7  o 538.969 3.4346 2906.15  26.179  537.268 4.8726 540.669 4.8419 -3.400024      6.869196 
1 1 1 2  11 9  o 640.385 3.9202 4102.71  35.500  638.623 5.5890 642.146 5.4986 -3.522339      7.840378 
1 1 1 2  11 11 o 542.379 3.4273 2942.79  26.250  541.651 4.9982 543.107 4.6908 -1.456848      6.854610 
1 1 1 2  11 13 o 1082.53 6.3396 11729.32 97.048  1083.03 9.0202 1082.02 8.9105 1.007324       12.67917 
1 1 1 2  11 15 o 360.340 2.4826 1298.52  12.622  360.808 3.6455 359.873 3.3711 0.9346619      4.965250 
1 1 1 2  11 17 o 854.851 5.0121 7313.54  60.590  859.823 7.1067 849.879 7.0696 9.943970       10.02420 
1 1 1 2  11 19 o 298.561 2.2319 891.270  9.3997  297.280 3.0284 299.841 3.2794 -2.560272      4.463831 
1 1 1 2  11 21 o 237.504 1.7650 565.260  5.8853  240.867 2.3062 234.140 2.6725 6.726822       3.530000 
1 1 1 2  11 23 o 115.546 1.6009 132.098  2.4720  112.374 1.8182 118.718 2.6354 -6.344498      3.201748 
1 1 1 2  11 25 o 269.813 2.1996 729.713  7.9516  271.141 2.4726 268.485 3.6386 2.655884       4.399238 
1 1 1 2  11 27 o 50.530  2.2078 26.567   1.3686  53.951  2.0120 47.110  3.9305 6.840893       4.415550 
1 1 1 2  11 29 o 139.242 1.8973 197.426  3.1763  143.054 1.6961 135.431 3.3945 7.623001       3.794673 
1 1 1 2  11 31 o 168.270 1.9003 287.961  4.0202  173.273 1.8425 163.267 3.3242 10.00670       3.800649 
1 1 1 2  11 33 o 40.301  2.8633 15.905   1.5524  37.787  3.3795 42.815  4.6230 -5.028248      5.726553 
1 1 1 2  11 35 o 87.806  1.6518 76.769   1.8125  86.997  1.6147 88.614  2.8822 -1.617386      3.303645 
1 1 1 2  11 37 o 172.068 1.7382 297.158  4.0088  173.115 1.9548 171.020 2.8748 2.094650       3.476455 
1 1 1 2  11 39 o 178.910 2.0068 315.882  4.4388  174.213 1.9425 183.607 3.5123 -9.393936      4.013699 
1 1 1 2  11 41 o 13.025  3.8884 -1.2770  1.4189  15.646  5.9309 10.404  5.0301 5.241620       7.776724 
1 1 1 2  11 43 f 24.212  4.3138 6.1080   1.6770  30.666  4.9971 17.757  7.0331 12.90917       8.627567 
1 1 1 2  11 45 o 28.674  4.5244 8.6996   1.6761  27.826  5.0007 29.522  7.5416 -1.696856      9.048859 
1 1 1 2  11 47 o 34.252  4.1183 13.628   1.7513  41.470  3.6952 27.034  7.3611 14.43646       8.236542 
1 1 1 2  11 49 o 19.865  4.8388 4.0746   1.6861  21.371  6.3858 18.360  7.2716 3.011177       9.677526 
1 1 1 2  11 51 o 15.925  4.8558 -0.0491  2.0629  12.657  5.9386 19.193  7.6843 -6.535684      9.711574 
1 1 1 2  11 53 o 16.291  4.9809 1.4686   2.1071  16.706  7.1306 15.877  6.9565 0.8285055      9.961867 
1 1 1 2  12 0  o 317.800 3.1551 1010.37  20.049  317.800 3.1551 ?       ?      0.000000       0.000000 
1 1 1 2  12 2  o 497.146 3.3462 2466.11  23.425  485.113 4.5277 509.178 4.9282 -24.06509      6.692327 
1 1 1 2  12 4  o 167.852 1.5206 281.651  3.6005  168.669 2.2335 167.035 2.0642 1.634567       3.041262 
1 1 1 2  12 6  o 910.061 5.4597 8286.88  70.252  896.226 7.7228 923.896 7.7196 -27.67059      10.91943 
1 1 1 2  12 8  o 787.800 4.7365 6207.87  52.754  795.537 6.7580 780.064 6.6383 15.47284       9.472940 
1 1 1 2  12 10 o 899.126 5.3406 8085.34  67.834  907.501 7.7254 890.751 7.3760 16.74976       10.68116 
1 1 1 2  12 12 o 606.220 3.8028 3676.19  32.582  606.458 5.4853 605.982 5.2683 0.4761963      7.605526 
1 1 1 2  12 14 o 1413.23 10.415 19923.78 203.398 1384.29 12.929 1442.17 16.333 -57.87537      20.83056 
1 1 1 2  12 16 o 512.023 3.2318 2622.68  23.401  509.254 4.5889 514.791 4.5520 -5.536285      6.463634 
1 1 1 2  12 18 o 708.317 4.2390 5021.43  42.458  707.956 6.0427 708.677 5.9465 -0.7211304     8.477911 
1 1 1 2  12 20 o 338.161 2.4638 1142.95  11.467  337.038 2.9932 339.285 3.9144 -2.247864      4.927661 
1 1 1 2  12 22 o 578.303 3.8972 3350.39  31.585  580.373 5.0607 576.233 5.9282 4.140137       7.794498 
1 1 1 2  12 24 o 161.206 1.7505 259.749  3.9843  163.145 2.5439 159.268 2.4054 3.877228       3.501076 
1 1 1 2  12 26 o 145.661 1.5840 213.510  3.0891  147.971 1.7692 143.350 2.6280 4.621735       3.167991 
1 1 1 2  12 28 o 102.501 1.7442 105.098  3.5756  102.501 1.7442 ?       ?      ?              ?        
1 1 1 2  12 30 o 104.558 1.6967 108.305  2.3086  102.375 1.8087 106.741 2.8713 -4.366402      3.393465 
1 1 1 2  12 32 o 95.689  1.5361 91.401   1.8648  95.271  1.5415 96.107  2.6575 -0.8357391     3.072184 
1 1 1 2  12 34 o 115.236 1.5865 132.445  2.3762  114.376 1.6747 116.095 2.6949 -1.719193      3.172911 
1 1 1 2  12 36 o 134.176 1.7791 181.355  3.1516  136.115 1.9233 132.238 2.9937 3.877869       3.558219 
1 1 1 2  12 38 o 47.390  2.8509 22.350   1.7921  46.236  3.1763 48.544  4.7351 -2.308235      5.701768 
1 1 1 2  12 40 o 18.521  4.8281 2.7612   1.6192  18.069  6.1737 18.973  7.4247 -0.9045067     9.656121 
1 1 1 2  12 42 o 30.291  4.9495 9.7653   1.9136  31.947  4.5969 28.635  8.7670 3.311884       9.899041 
1 1 1 2  12 44 o 31.975  4.4141 10.776   1.8112  32.441  4.5268 31.508  7.5792 0.9332390      8.828134 
1 1 1 2  12 46 o 61.009  2.3509 37.951   1.9986  62.650  2.9555 59.368  3.6567 3.282207       4.701776 
1 1 1 2  12 48 f 33.082  4.3928 12.175   1.9711  32.813  5.8535 33.350  6.5515 -0.5367584     8.785540 
1 1 1 2  12 50 o 17.621  5.1326 2.1218   1.9646  16.499  6.5316 18.743  7.9192 -2.243713      10.26521 
1 1 1 2  12 52 o 23.443  5.3375 6.4965   1.8648  20.044  6.4563 26.843  8.5011 -6.799074      10.67490 
1 1 1 2  12 54 o 17.814  4.3909 2.1401   1.8318  23.862  6.6897 11.767  5.6892 12.09514       8.781735 
1 1 1 2  13 1  o 201.539 1.8304 406.320  5.1801  201.158 2.7615 201.921 2.4032 -0.7626495     3.660803 
1 1 1 2  13 3  o 377.532 2.6976 1425.81  14.398  371.596 3.8661 383.468 3.7631 -11.87234      5.395152 
1 1 1 2  13 5  o 462.380 3.1001 2137.82  20.264  458.226 4.3336 466.535 4.4343 -8.308868      6.200220 
1 1 1 2  13 7  o 403.807 2.7279 1630.24  15.573  409.909 3.8786 397.705 3.8371 12.20416       5.455893 
1 1 1 2  13 9  o 330.574 2.3226 1093.19  10.853  328.044 3.3478 333.105 3.2203 -5.061493      4.645208 
1 1 1 2  13 11 o 642.804 4.3470 4143.40  39.056  634.070 6.6864 651.537 5.5566 -17.46753      8.693909 
1 1 1 2  13 13 o 230.109 1.8157 529.692  5.9046  228.555 2.6260 231.663 2.5081 -3.108475      3.631354 
1 1 1 2  13 15 o 343.787 2.4436 1181.71  11.859  345.632 3.5654 341.942 3.3424 3.690216       4.887125 
1 1 1 2  13 17 o 859.560 5.0557 7397.44  61.452  851.372 7.1622 867.749 7.1374 -16.37701      10.11140 
1 1 1 2  13 19 o 61.363  2.1000 37.678   1.8192  64.016  2.8925 58.710  3.0452 5.306103       4.199950 
1 1 1 2  13 21 o 860.696 5.2380 7418.57  62.112  858.119 6.3842 863.273 8.3061 -5.154053      10.47608 
1 1 1 2  13 23 o 382.753 2.6417 1468.91  13.980  385.814 3.2437 379.692 4.1705 6.122284       5.283409 
1 1 1 2  13 25 o 137.123 1.6315 187.799  2.9516  136.622 1.7759 137.624 2.7373 -1.001968      3.262940 
1 1 1 2  13 27 o 65.765  1.9482 42.477   1.6761  63.107  2.1247 68.423  3.2661 -5.315807      3.896414 
1 1 1 2  13 29 o 158.710 1.9021 252.671  3.9293  159.540 2.0011 157.879 3.2354 1.660965       3.804234 
1 1 1 2  13 31 o 45.897  2.4208 20.818   1.5116  44.032  2.9002 47.762  3.8769 -3.729599      4.841592 
1 1 1 2  13 33 o 209.409 2.0521 441.272  5.6161  211.616 2.1724 207.201 3.4822 4.414581       4.104268 
1 1 1 2  13 35 o 86.671  1.7868 75.425   1.9503  87.141  1.7586 86.200  3.1110 0.9401932      3.573653 
1 1 1 2  13 37 o 115.160 1.6960 133.177  2.6291  115.946 1.9274 114.375 2.7913 1.570633       3.392079 
1 1 1 2  13 39 o 157.392 1.8573 250.487  3.9638  161.397 2.1363 153.387 3.0388 8.010040       3.714565 
1 1 1 2  13 41 o 89.144  2.0118 79.360   2.2754  88.309  2.0245 89.978  3.4772 -1.668411      4.023583 
1 1 1 2  13 43 o 32.492  4.0327 10.841   1.7057  31.503  4.4590 33.482  6.7206 -1.978745      8.065315 
1 1 1 2  13 45 o 32.417  3.9813 10.987   1.7673  31.051  5.1407 33.782  6.0809 -2.730700      7.962646 
1 1 1 2  13 47 o 23.940  5.2012 6.4090   1.9454  25.729  6.2559 22.152  8.3111 3.576880       10.40247 
1 1 1 2  13 49 o 20.328  4.9158 4.1606   1.8784  23.493  6.3652 17.163  7.4929 6.329115       9.831527 
1 1 1 2  13 51 o 20.918  5.5050 4.8958   2.0789  18.822  6.9442 23.014  8.5439 -4.191795      11.00997 
1 1 1 2  13 53 o 14.657  4.5172 -0.4531  1.9608  17.205  6.8794 12.108  5.8560 5.096731       9.034309 
1 1 1 2  14 0  f 682.396 6.1485 4658.78  83.899  682.396 6.1485 ?       ?      0.000000       0.000000 
1 1 1 2  14 2  o 569.858 3.7358 3248.06  30.096  571.782 5.3601 567.934 5.2053 3.847839       7.471693 
1 1 1 2  14 4  o 464.194 3.0252 2155.12  19.852  463.617 4.2143 464.770 4.3412 -1.152344      6.050345 
1 1 1 2  14 6  o 640.049 4.0876 4097.21  36.989  634.512 5.7258 645.586 5.8353 -11.07440      8.175285 
1 1 1 2  14 8  o 1165.50 6.7396 13587.30 110.972 1183.49 9.7058 1147.51 9.3535 35.97498       13.47926 
1 1 1 2  14 10 o 131.658 1.4922 173.380  2.7771  130.809 2.1477 132.506 2.0720 -1.697586      2.984302 
1 1 1 2  14 12 o 533.118 3.4894 2842.67  26.294  535.911 5.0160 530.326 4.8521 5.584229       6.978702 
1 1 1 2  14 14 o 244.356 1.8569 597.055  6.4155  247.125 2.6354 241.587 2.6165 5.538574       3.713701 
1 1 1 2  14 16 o 642.141 3.9028 4126.90  35.425  642.201 5.6175 642.081 5.4196 0.1198120      7.805672 
1 1 1 2  14 18 o 218.572 1.9207 477.227  5.9271  214.207 2.6529 222.937 2.7781 -8.729874      3.841338 
1 1 1 2  14 20 o 431.091 2.7388 1859.41  16.695  426.746 3.8752 435.435 3.8712 -8.688965      5.477528 
1 1 1 2  14 22 o 223.897 1.8187 501.203  5.6203  223.422 2.2291 224.372 2.8742 -0.9491730     3.637306 
1 1 1 2  14 24 o 41.628  2.3892 17.193   1.3786  40.099  3.0254 43.157  3.6987 -3.058125      4.778429 
1 1 1 2  14 26 o 140.312 1.6308 196.905  3.1988  140.602 2.4977 140.023 2.0976 0.5787354      3.261638 
1 1 1 2  14 28 f 142.631 2.0363 200.628  3.6410  138.972 2.0216 146.291 3.5354 -7.319046      4.072528 
1 1 1 2  14 30 o 169.037 1.8085 285.560  3.8837  168.602 1.8178 169.472 3.1271 -0.8706055     3.617072 
1 1 1 2  14 32 o 206.994 2.0770 424.395  5.3301  203.173 2.0113 210.815 3.6345 -7.641388      4.153903 
1 1 1 2  14 34 o 149.342 1.8700 223.349  3.5916  149.392 1.9233 149.292 3.2077 0.1001587      3.740077 
1 1 1 2  14 36 o 87.450  1.7345 76.268   2.0123  86.533  1.9185 88.368  2.8902 -1.834801      3.468998 
1 1 1 2  14 38 o 35.759  3.9566 12.969   1.9218  30.232  5.9134 41.286  5.2582 -11.05456      7.913104 
1 1 1 2  14 40 o 53.716  2.5638 28.709   1.8112  52.424  2.8013 55.008  4.2948 -2.584461      5.127626 
1 1 1 2  14 42 o 62.687  2.4168 39.394   2.0123  61.832  2.6849 63.542  4.0194 -1.710571      4.833635 
1 1 1 2  14 44 o 54.887  2.3608 30.599   1.8057  55.762  2.9771 54.011  3.6647 1.751495       4.721604 
1 1 1 2  14 46 o 21.045  5.1977 4.5972   1.8815  20.705  6.8695 21.385  7.8022 -0.6803169     10.39543 
1 1 1 2  14 48 o 24.279  5.0691 6.6534   1.8571  20.948  6.8695 27.610  7.4562 -6.662268      10.13829 
1 1 1 2  14 50 o 23.130  5.4712 6.2922   2.0374  20.330  6.9972 25.929  8.4128 -5.598412      10.94237 
1 1 1 2  14 52 o 19.978  5.5517 4.6322   2.1377  18.654  6.8212 21.301  8.7611 -2.647221      11.10338 
1 1 1 2  15 1  o 290.989 2.2110 846.834  9.0986  290.254 3.1237 291.724 3.1299 -1.469940      4.421971 
1 1 1 2  15 3  o 468.493 3.2475 2194.56  21.505  473.281 4.6544 463.706 4.5302 9.575684       6.495090 
1 1 1 2  15 5  o 555.975 3.5460 3090.89  27.831  558.811 5.1760 553.139 4.8482 5.672180       7.091982 
1 1 1 2  15 7  o 264.310 2.1406 699.582  7.9629  261.144 3.2030 267.476 2.8407 -6.332184      4.281206 
1 1 1 2  15 9  o 574.737 3.6530 3304.55  29.688  574.401 5.2134 575.072 5.1185 -0.6704102     7.306070 
1 1 1 2  15 11 o 308.806 2.2099 954.337  9.6347  311.712 3.0111 305.899 3.2353 5.812958       4.419744 
1 1 1 2  15 13 o 156.788 1.5556 245.551  3.4373  158.721 2.2930 154.855 2.1029 3.866943       3.111244 
1 1 1 2  15 15 o 395.565 2.6433 1564.92  14.761  397.278 3.8573 393.853 3.6152 3.425690       5.286626 
1 1 1 2  15 17 o 423.656 2.8568 1797.02  17.030  421.254 4.2743 426.058 3.7915 -4.803680      5.713651 
1 1 1 2  15 19 o 93.738  1.5163 87.206   1.9865  97.788  2.2853 89.687  1.9934 8.101540       3.032532 
1 1 1 2  15 21 f 266.660 2.0323 711.171  7.6535  268.069 2.9535 265.251 2.7923 2.817230       4.064517 
1 1 1 2  15 23 o 262.892 1.9927 692.357  7.3248  264.739 2.5565 261.046 3.0574 3.692719       3.985448 
1 1 1 2  15 25 o 248.553 2.1975 616.677  7.6921  254.922 3.2311 242.185 2.9792 12.73656       4.394913 
1 1 1 2  15 27 f 219.986 2.1125 482.166  6.1429  217.662 2.3174 222.309 3.5327 -4.647476      4.225014 
1 1 1 2  15 29 o 227.498 2.2995 515.585  6.7721  225.131 2.4107 229.865 3.9166 -4.734177      4.599063 
1 1 1 2  15 31 o 197.194 2.1109 389.488  5.2695  197.275 2.1038 197.113 3.6604 0.1614990      4.221899 
1 1 1 2  15 33 o 83.271  1.4818 69.491   1.6861  83.627  1.7561 82.915  2.3872 0.7124023      2.963567 
1 1 1 2  15 35 o 93.502  1.7690 86.950   2.1851  91.966  1.9440 95.039  2.9561 -3.072327      3.538008 
1 1 1 2  15 37 o 98.467  1.7208 97.299   2.2042  98.776  1.8100 98.157  2.9272 0.6187286      3.441594 
1 1 1 2  15 39 o 28.935  4.3371 8.6955   1.6861  26.992  5.6256 30.878  6.6027 -3.886066      8.674251 
1 1 1 2  15 41 o 90.949  1.9618 82.934   2.4099  90.233  2.2644 91.666  3.2042 -1.433281      3.923532 
1 1 1 2  15 43 o 65.625  2.3684 45.104   1.9921  70.726  2.3472 60.524  4.1143 10.20208       4.736785 
1 1 1 2  15 45 o 32.697  4.3993 11.497   1.9279  32.199  5.1559 33.196  7.1296 -0.9970703     8.798546 
1 1 1 2  15 47 o 49.971  2.7569 25.865   1.9469  50.320  3.8067 49.623  3.9888 0.6970406      5.513743 
1 1 1 2  15 49 o 26.479  4.9404 7.9904   1.9702  19.071  6.9533 33.886  7.0199 -14.81445      9.880708 
1 1 1 2  15 51 o 15.158  4.7137 0.3936   1.9050  12.819  5.8400 17.496  7.4008 -4.677301      9.427475 
1 1 1 2  16 0  o 850.792 7.6338 7242.94  129.872 850.792 7.6338 ?       ?      0.000000       0.000000 
1 1 1 2  16 2  o 655.696 4.1994 4293.90  38.848  669.927 6.1093 641.465 5.7633 28.46204       8.398773 
1 1 1 2  16 4  f 556.458 3.5548 3096.30  27.929  559.744 5.1788 553.171 4.8710 6.572205       7.109617 
1 1 1 2  16 6  o 462.887 3.1650 2142.92  20.715  467.582 4.4926 458.192 4.4593 9.389709       6.330026 
1 1 1 2  16 8  o 184.122 1.7288 339.036  4.5012  183.740 2.4325 184.503 2.4571 -0.7626495     3.457514 
1 1 1 2  16 10 o 528.742 3.3861 2797.16  25.317  533.711 4.7495 523.773 4.8274 9.937927       6.772142 
1 1 1 2  16 12 o 523.181 3.2448 2738.68  24.007  523.194 4.5643 523.167 4.6133 0.2740479E-01  6.489652 
1 1 1 2  16 14 o 236.702 1.7558 560.570  5.8715  235.204 2.5518 238.200 2.4125 -2.996307      3.511661 
1 1 1 2  16 16 o 163.942 1.6281 269.237  3.7661  159.716 2.3986 168.169 2.2022 -8.452576      3.256223 
1 1 1 2  16 18 o 256.168 1.9149 656.489  6.9100  256.001 2.8433 256.334 2.5656 -0.3330383     3.829749 
1 1 1 2  16 20 o 122.321 1.4962 149.699  2.5824  121.955 2.1989 122.688 2.0297 -0.7331314     2.992479 
1 1 1 2  16 22 o 150.868 1.4702 227.514  3.1078  151.583 2.2325 150.152 1.9136 1.430893       2.940365 
1 1 1 2  16 24 o 84.254  1.9279 71.414   2.2303  82.617  3.0914 85.891  2.3045 -3.273880      3.855834 
1 1 1 2  16 26 o 256.228 2.1023 655.980  7.4368  254.513 2.5840 257.943 3.3170 -3.429382      4.204698 
1 1 1 2  16 28 o 153.038 1.7215 234.094  3.6494  152.239 2.1390 153.837 2.6978 -1.598785      3.442907 
1 1 1 2  16 30 o 128.017 1.7337 163.120  2.9779  126.097 1.9748 129.936 2.8501 -3.838425      3.467421 
1 1 1 2  16 32 o 133.897 1.7444 181.423  3.0380  137.009 1.8175 130.785 2.9781 6.223618       3.488879 
1 1 1 2  16 34 o 49.322  2.7136 24.710   1.8164  51.225  3.1162 47.420  4.4434 3.804382       5.427182 
1 1 1 2  16 36 o 43.695  3.1503 19.864   1.7966  47.180  3.2480 40.210  5.3990 6.969833       6.300665 
1 1 1 2  16 38 f 65.948  1.9273 44.071   1.7089  67.823  2.1653 64.073  3.1889 3.750114       3.854526 
1 1 1 2  16 40 o 32.229  3.8921 10.687   1.6861  31.517  4.6596 32.941  6.2356 -1.423883      7.784204 
1 1 1 2  16 42 o 62.500  2.4486 39.672   2.0123  63.210  2.6263 61.791  4.1333 1.419628       4.897166 
1 1 1 2  16 44 o 77.990  2.1178 61.681   2.3266  79.054  2.8269 76.925  3.1541 2.128868       4.235534 
1 1 1 2  16 46 o 36.432  4.0565 14.533   1.9279  37.995  4.3693 34.869  6.8359 3.126415       8.112935 
1 1 1 2  16 48 o 41.232  3.5775 18.037   2.0511  35.436  5.2253 47.028  4.8878 -11.59139      7.155028 
1 1 1 2  16 50 o 26.564  5.2971 8.8501   2.0587  27.497  6.5801 25.631  8.3030 1.866112       10.59424 
1 1 1 2  16 52 o 25.107  5.6704 8.9970   2.2714  26.521  6.9124 23.694  8.9908 2.827459       11.34083 
1 1 1 2  17 1  o 1233.58 7.2082 15242.23 125.729 1224.09 10.130 1243.06 10.258 -18.97009      14.41637 
1 1 1 2  17 3  o 245.955 2.0930 605.096  7.2784  244.812 2.9994 247.098 2.9199 -2.285172      4.185953 
1 1 1 2  17 5  o 343.211 2.4732 1178.23  12.004  341.732 3.5127 344.690 3.4825 -2.958008      4.946388 
1 1 1 2  17 7  o 193.570 1.7144 374.733  4.6928  193.355 2.4106 193.784 2.4382 -0.4284973     3.428730 
1 1 1 2  17 9  o 418.954 2.8828 1755.91  17.079  415.320 4.0894 422.588 4.0644 -7.267761      5.765676 
1 1 1 2  17 11 o 336.975 2.3782 1135.78  11.331  335.072 3.3347 338.878 3.3915 -3.805206      4.756356 
1 1 1 2  17 13 o 161.982 1.5333 262.425  3.5106  161.982 2.2074 161.983 2.1286 -0.9613037E-03 3.066518 
1 1 1 2  17 15 o 190.440 1.6491 362.286  4.4190  192.516 2.4543 188.364 2.2033 4.152023       3.298219 
1 1 1 2  17 17 o 157.673 1.5171 247.762  3.3648  162.408 2.2409 152.938 2.0457 9.470474       3.034271 
1 1 1 2  17 19 o 206.657 1.9409 428.006  5.5310  205.255 3.0797 208.059 2.3630 -2.804245      3.881798 
1 1 1 2  17 21 o 212.110 1.7944 449.684  5.3148  213.243 2.7547 210.976 2.3001 2.267517       3.588711 
1 1 1 2  17 23 o 198.620 1.8219 395.303  5.1048  202.529 2.4591 194.711 2.6890 7.818375       3.643854 
1 1 1 2  17 25 o 195.371 2.0057 382.224  5.4919  196.086 2.6050 194.657 3.0505 1.429276       4.011467 
1 1 1 2  17 27 o 30.531  3.9081 9.6527   1.6276  25.918  6.2273 35.144  4.7238 -9.225969      7.816235 
1 1 1 2  17 29 o 354.432 2.7288 1262.49  13.416  358.330 3.3856 350.535 4.2806 7.795288       5.457603 
1 1 1 2  17 31 o 56.457  1.9252 31.989   1.5324  53.912  2.8424 59.001  2.5972 -5.089344      3.850343 
1 1 1 2  17 33 o 53.080  2.2256 27.881   1.5987  51.120  2.6229 55.039  3.5963 -3.918915      4.451174 
1 1 1 2  17 35 o 28.142  4.2568 8.2907   1.6208  29.776  4.7176 26.508  7.0870 3.267857       8.513591 
1 1 1 2  17 37 o 35.162  3.3379 12.397   1.6380  33.752  4.3511 36.572  5.0630 -2.820461      6.675794 
1 1 1 2  17 39 o 67.621  2.1145 46.167   2.0067  69.670  2.7494 65.572  3.2134 4.097916       4.229059 
1 1 1 2  17 41 f 85.744  2.1793 75.043   2.3439  87.789  2.1092 83.699  3.8143 4.089653       4.358634 
1 1 1 2  17 43 o 18.412  4.8830 2.3591   1.8147  14.850  6.3973 21.975  7.3790 -7.124696      9.766072 
1 1 1 2  17 45 o 17.391  4.9928 1.8964   1.8964  15.863  6.5929 18.919  7.4996 -3.056232      9.985504 
1 1 1 2  17 47 o 16.187  5.0185 0.1691   2.1655  15.925  6.6719 16.450  7.4984 -0.5249901     10.03699 
1 1 1 2  17 49 o 18.432  5.2183 2.7857   2.1180  19.390  6.9647 17.475  7.7728 1.915068       10.43660 
1 1 1 2  17 51 o 22.135  5.4775 6.2646   2.2183  17.450  7.2102 26.819  8.2477 -9.369518      10.95497 
1 1 1 2  18 0  o 327.519 3.5100 1073.20  22.986  327.519 3.5100 ?       ?      0.000000       0.000000 
1 1 1 2  18 2  f 365.210 2.7942 1334.35  14.430  368.340 3.9176 362.081 3.9854 6.259003       5.588465 
1 1 1 2  18 4  o 335.689 2.5286 1127.22  12.004  335.746 3.5563 335.631 3.5955 0.1152344      5.057164 
1 1 1 2  18 6  o 108.526 1.6041 117.881  2.4545  107.614 2.3733 109.439 2.1587 -1.825081      3.208227 
1 1 1 2  18 8  o 273.756 2.1940 749.471  8.4844  274.955 3.1814 272.557 3.0220 2.397278       4.387948 
1 1 1 2  18 10 o 390.069 2.7030 1522.42  14.908  388.234 3.8649 391.904 3.7798 -3.669098      5.405976 
1 1 1 2  18 12 o 421.590 2.7788 1777.07  16.551  427.875 3.9993 415.305 3.8590 12.56952       5.557505 
1 1 1 2  18 14 o 291.391 2.1616 849.471  8.9070  294.228 3.0381 288.554 3.0758 5.674408       4.323256 
1 1 1 2  18 16 o 390.472 2.6136 1525.96  14.429  388.597 3.7463 392.347 3.6454 -3.749664      5.227166 
1 1 1 2  18 18 o 360.983 2.5157 1302.72  12.788  364.715 3.7290 357.252 3.3779 7.463196       5.031472 
1 1 1 2  18 20 o 51.177  2.0645 25.505   1.4455  55.911  3.1976 46.443  2.6122 9.468266       4.128918 
1 1 1 2  18 22 o 110.988 1.6654 122.456  2.4973  113.018 2.7118 108.957 1.9339 4.061493       3.330707 
1 1 1 2  18 24 o 122.750 1.5488 150.755  2.6680  122.781 2.0281 122.720 2.3413 0.6069946E-01  3.097610 
1 1 1 2  18 26 o 137.575 1.7763 190.107  3.2636  138.873 1.9770 136.278 2.9517 2.594315       3.552670 
1 1 1 2  18 28 o 97.639  1.8941 93.779   2.5416  103.798 2.9527 91.481  2.3731 12.31680       3.788118 
1 1 1 2  18 30 o 114.396 1.5040 130.618  2.3994  112.733 1.9257 116.059 2.3107 -3.325439      3.007904 
1 1 1 2  18 32 o 34.425  2.7358 12.047   1.3019  36.567  3.3176 32.283  4.3512 4.284145       5.471684 
1 1 1 2  18 34 o 58.982  2.3187 34.952   1.8815  59.175  2.8054 58.790  3.6927 0.3853989      4.637481 
1 1 1 2  18 36 o 57.945  2.0757 33.737   1.6770  58.187  2.6336 57.703  3.2090 0.4847603      4.151302 
1 1 1 2  18 38 o 46.918  3.2421 22.737   2.0157  49.462  3.4854 44.374  5.4679 5.088478       6.484289 
1 1 1 2  18 40 o 54.745  3.1182 31.317   2.2117  58.352  3.1733 51.139  5.3688 7.212368       6.236498 
1 1 1 2  18 42 o 14.951  4.3080 -0.5204  1.6770  18.259  6.5656 11.643  5.5793 6.615719       8.615982 
1 1 1 2  18 44 o 19.366  5.1167 3.5020   1.8787  18.906  7.0523 19.826  7.4155 -0.9200020     10.23349 
1 1 1 2  18 46 o 24.808  5.4327 7.1629   2.0123  23.224  6.7484 26.391  8.5157 -3.166388      10.86547 
1 1 1 2  18 48 o 18.379  5.1066 3.0952   1.9256  18.531  6.6973 18.227  7.7107 0.3044395      10.21314 
1 1 1 2  18 50 o 29.383  5.0975 10.930   2.0374  28.426  6.2348 30.341  8.0663 -1.914282      10.19502 
1 1 1 2  19 1  o 212.275 1.9677 450.738  5.9046  212.532 2.7339 212.019 2.8309 0.5130463      3.935467 
1 1 1 2  19 3  o 149.709 1.6299 223.998  3.4373  150.795 2.4135 148.623 2.1910 2.172272       3.259707 
1 1 1 2  19 5  o 186.500 1.6826 347.675  4.4319  188.330 2.4410 184.669 2.3166 3.660736       3.365290 
1 1 1 2  19 7  o 193.380 1.7189 373.958  4.6754  193.708 2.5711 193.052 2.2821 0.6555328      3.437788 
1 1 1 2  19 9  o 199.449 1.7428 397.228  4.9032  203.384 2.5429 195.513 2.3840 7.870560       3.485686 
1 1 1 2  19 11 o 184.281 1.7402 339.677  4.5298  184.349 2.5284 184.213 2.3916 0.1358337      3.480330 
1 1 1 2  19 13 o 112.135 1.5218 125.411  2.3429  113.270 2.4239 111.000 1.8407 2.270020       3.043624 
1 1 1 2  19 15 o 401.734 2.7535 1615.36  15.643  401.407 3.9130 402.062 3.8749 -0.6545715     5.506975 
1 1 1 2  19 17 o 242.740 1.8611 589.401  6.3748  243.406 2.7281 242.074 2.5321 1.331696       3.722153 
1 1 1 2  19 19 o 220.643 1.7299 487.241  5.3937  219.035 2.5070 222.251 2.3845 -3.216248      3.459875 
1 1 1 2  19 21 o 90.543  1.7511 81.562   2.0987  91.765  2.9224 89.321  1.9301 2.444122       3.502208 
1 1 1 2  19 23 o 173.382 1.7603 300.229  4.2813  175.619 2.6541 171.145 2.3131 4.474045       3.520596 
1 1 1 2  19 25 o 164.019 1.6528 269.363  3.8300  165.948 2.2701 162.090 2.4029 3.857956       3.305649 
1 1 1 2  19 27 o 100.881 1.8127 101.820  2.5824  99.746  2.4965 102.015 2.6287 -2.269485      3.625311 
1 1 1 2  19 29 o 205.604 1.8556 424.720  5.3361  209.709 2.3749 201.498 2.8519 8.210617       3.711258 
1 1 1 2  19 31 o 58.865  2.1882 34.721   1.8147  58.656  2.9391 59.075  3.2425 -0.4190216     4.376361 
1 1 1 2  19 33 f 114.954 1.6446 132.800  2.6186  116.478 2.0283 113.430 2.5894 3.047646       3.289172 
1 1 1 2  19 35 o 138.898 1.6067 193.102  3.0648  138.187 1.9406 139.609 2.5612 -1.422012      3.213360 
1 1 1 2  19 37 o 13.948  4.3292 -2.0293  1.7507  10.705  5.1667 17.190  6.9479 -6.484283      8.658410 
1 1 1 2  19 39 o 42.713  3.5641 18.459   1.9832  42.028  3.7981 43.398  6.0322 -1.370064      7.128271 
1 1 1 2  19 41 o 35.070  4.1264 12.803   1.9052  34.004  4.6943 36.135  6.7877 -2.131466      8.252887 
1 1 1 2  19 43 o 27.959  4.9870 8.8835   1.9464  28.328  6.2532 27.589  7.7704 0.7388420      9.974075 
1 1 1 2  19 45 o 18.765  5.4374 2.3652   2.1044  15.535  6.4639 21.994  8.7453 -6.459194      10.87490 
1 1 1 2  19 47 o 19.774  5.2685 4.1168   2.0067  18.711  7.2161 20.837  7.6784 -2.126125      10.53702 
1 1 1 2  19 49 o 16.550  5.0422 1.6906   2.1271  15.784  6.8278 17.317  7.4214 -1.533161      10.08442 
1 1 1 2  20 0  o 434.486 4.2774 1888.95  37.161  434.486 4.2774 ?       ?      0.000000       0.000000 
1 1 1 2  20 2  o 392.186 2.8165 1539.63  15.606  388.624 4.0910 395.747 3.8722 -7.122986      5.632983 
1 1 1 2  20 4  o 169.429 1.6683 286.846  3.9700  170.613 2.5074 168.244 2.2012 2.369049       3.336503 
1 1 1 2  20 6  o 240.918 2.0243 580.273  6.8864  243.062 2.9422 238.774 2.7811 4.287506       4.048522 
1 1 1 2  20 8  o 379.970 2.6568 1443.64  14.239  383.236 3.8986 376.705 3.6103 6.530701       5.313534 
1 1 1 2  20 10 o 376.586 2.5901 1419.25  13.789  375.548 3.7234 377.624 3.6015 -2.075562      5.180225 
1 1 1 2  20 12 o 198.975 1.7159 395.622  4.7951  200.494 2.5796 197.455 2.2636 3.038910       3.431897 
1 1 1 2  20 14 o 265.847 2.0382 707.121  7.6599  266.097 2.9274 265.597 2.8368 0.4993896      4.076392 
1 1 1 2  20 16 o 203.715 1.7105 415.581  4.9032  202.002 2.5603 205.428 2.2690 -3.426193      3.421026 
1 1 1 2  20 18 o 91.276  1.5658 82.896   1.9702  93.159  2.4674 89.393  1.9285 3.765160       3.131665 
1 1 1 2  20 20 o 132.652 1.8981 178.204  3.3049  128.976 3.2179 136.329 2.0139 -7.353287      3.796133 
1 1 1 2  20 22 o 266.141 2.1394 709.451  8.0406  263.543 3.1254 268.738 2.9224 -5.195435      4.278829 
1 1 1 2  20 24 o 99.072  1.9950 98.096   2.7331  99.736  3.1370 98.409  2.4655 1.326294       3.989917 
1 1 1 2  20 26 o 115.263 1.6129 133.192  2.6039  116.407 2.0843 114.119 2.4618 2.287987       3.225705 
1 1 1 2  20 28 o 123.272 1.6665 152.120  2.9048  121.952 2.3561 124.591 2.3574 -2.638451      3.332926 
1 1 1 2  20 30 o 100.976 1.5873 102.078  2.2662  101.638 2.2616 100.314 2.2278 1.324234       3.174543 
1 1 1 2  20 32 o 43.346  2.6094 18.864   1.5937  40.482  3.7854 46.209  3.5926 -5.727745      5.218835 
1 1 1 2  20 34 o 61.740  2.1998 38.366   1.9134  63.094  2.9348 60.387  3.2778 2.707531       4.399649 
1 1 1 2  20 36 o 23.782  5.3406 5.6687   1.9454  23.122  6.5849 24.443  8.4099 -1.320709      10.68116 
1 1 1 2  20 38 o 27.405  5.6135 7.9944   2.2321  27.327  6.7959 27.482  8.9364 -0.1550827     11.22696 
1 1 1 2  20 40 o 19.262  4.9447 3.2738   1.7414  17.082  6.5875 21.442  7.3761 -4.359959      9.889467 
1 1 1 2  20 42 o 24.193  5.2773 6.3445   1.9500  20.281  6.8695 28.106  8.0130 -7.825115      10.55454 
1 1 1 2  20 44 o 23.856  5.2226 6.3725   1.8590  22.324  6.4827 25.387  8.1900 -3.063501      10.44513 
1 1 1 2  20 46 o 16.876  5.0953 1.2675   2.1004  15.105  6.5701 18.646  7.7900 -3.541106      10.19067 
1 1 1 2  20 48 o 26.853  4.8237 8.8413   2.0253  18.252  7.0833 35.453  6.5497 -17.20070      9.647387 
1 1 1 2  21 1  o 420.786 2.9296 1772.14  17.429  419.683 4.1991 421.890 4.0863 -2.207642      5.859163 
1 1 1 2  21 3  o 475.896 3.1450 2266.71  21.163  474.104 4.4039 477.688 4.4912 -3.583527      6.290064 
1 1 1 2  21 5  o 287.322 2.2786 825.996  9.2579  287.989 3.1926 286.654 3.2521 1.335388       4.557288 
1 1 1 2  21 7  o 287.401 2.1443 826.294  8.7145  284.447 3.0304 290.354 3.0347 -5.906525      4.288651 
1 1 1 2  21 9  o 276.540 2.2046 765.021  8.6122  277.528 3.1980 275.552 3.0355 1.976410       4.409221 
1 1 1 2  21 11 o 165.007 1.6180 272.620  3.7574  163.611 2.4196 166.402 2.1488 -2.791931      3.236007 
1 1 1 2  21 13 o 305.760 2.3016 936.133  9.8917  304.492 3.4600 307.028 3.0363 -2.536102      4.603292 
1 1 1 2  21 15 o 247.833 1.9043 614.725  6.6710  246.414 2.7467 249.252 2.6385 -2.838516      3.808672 
1 1 1 2  21 17 o 124.678 1.6186 155.730  2.8238  123.700 2.4776 125.656 2.0834 -1.956650      3.237135 
1 1 1 2  21 19 o 43.458  2.5605 18.519   1.4855  45.723  4.1894 41.194  2.9450 4.528881       5.120971 
1 1 1 2  21 21 o 97.856  1.5930 96.262   2.1240  96.379  2.5837 99.333  1.8641 -2.953964      3.185992 
1 1 1 2  21 23 o 141.477 1.5571 200.219  3.0569  141.715 2.4330 141.240 1.9439 0.4743347      3.114203 
1 1 1 2  21 25 o 57.403  2.0450 32.979   1.6577  58.122  2.9661 56.683  2.8161 1.438686       4.090020 
1 1 1 2  21 27 o 107.738 1.8018 116.169  2.7441  105.697 2.5372 109.779 2.5591 -4.082573      3.603682 
1 1 1 2  21 29 o 142.722 1.6786 203.912  3.3732  142.174 2.2455 143.269 2.4957 -1.094360      3.357232 
1 1 1 2  21 31 o 97.331  1.7206 95.032   2.3556  96.499  2.5805 98.162  2.2766 -1.662880      3.441216 
1 1 1 2  21 33 o 86.245  1.9116 74.607   2.3266  85.776  2.6053 86.714  2.7981 -0.9380112     3.823218 
1 1 1 2  21 35 o 19.485  4.8020 3.5080   1.6276  19.095  6.7174 19.874  6.8639 -0.7788296     9.603974 
1 1 1 2  21 37 o 21.628  5.1274 4.4967   1.8297  22.471  6.2894 20.786  8.0996 1.685349       10.25478 
1 1 1 2  21 39 o 20.229  5.3327 3.5517   2.0253  19.447  7.1924 21.010  7.8752 -1.563164      10.66533 
1 1 1 2  21 41 o 16.214  5.0078 -0.1734  2.0318  12.841  5.8473 19.587  8.1314 -6.746430      10.01550 
1 1 1 2  21 43 o 18.703  5.3338 2.4751   2.1240  16.355  6.8172 21.051  8.2050 -4.696484      10.66752 
1 1 1 2  21 45 f 30.206  4.6008 10.652   1.9427  25.984  7.4661 34.428  5.3783 -8.444254      9.201601 
1 1 1 2  21 47 o 16.060  4.8927 0.8126   2.0897  17.270  7.0339 14.849  6.8028 2.421638       9.785370 
1 1 1 2  21 49 o 16.068  4.7931 2.0432   1.8623  16.237  6.4971 15.899  7.0485 0.3380680      9.586144 
1 1 1 2  22 0  o 239.464 2.6671 573.760  12.770  239.464 2.6671 ?       ?      0.000000       0.000000 
1 1 1 2  22 2  o 131.912 1.4926 174.356  2.7742  129.322 2.2218 134.503 1.9938 -5.181503      2.985235 
1 1 1 2  22 4  o 122.912 1.5985 151.167  2.7771  121.743 2.3077 124.081 2.2127 -2.338524      3.197096 
1 1 1 2  22 6  o 128.807 1.7364 165.677  3.1448  130.638 2.5904 126.977 2.3131 3.661171       3.472868 
1 1 1 2  22 8  o 94.390  1.6755 89.055   2.2275  95.132  2.4834 93.648  2.2500 1.483948       3.351049 
1 1 1 2  22 10 o 108.368 1.5212 117.411  2.3266  109.191 2.2221 107.545 2.0780 1.646591       3.042319 
1 1 1 2  22 12 o 231.990 1.8901 538.908  6.1876  229.688 2.7799 234.293 2.5617 -4.605148      3.780237 
1 1 1 2  22 14 o 141.804 1.6314 201.174  3.2251  141.864 2.5205 141.744 2.0721 0.1201477      3.262889 
1 1 1 2  22 16 o 111.268 1.5869 123.850  2.4754  111.379 2.4077 111.158 2.0679 0.2208633      3.173858 
1 1 1 2  22 18 o 174.477 1.6869 303.116  4.0874  178.287 2.6144 170.666 2.1325 7.621719       3.373801 
1 1 1 2  22 20 o 70.254  1.7442 49.099   1.6861  71.791  2.7571 68.717  2.1371 3.073448       3.488405 
1 1 1 2  22 22 o 42.565  2.7534 17.746   1.5987  45.695  4.3317 39.435  3.4002 6.260624       5.506795 
1 1 1 2  22 24 o 89.439  1.7979 80.270   2.2626  91.265  2.3787 87.614  2.6965 3.650833       3.595710 
1 1 1 2  22 26 o 102.673 1.6953 105.602  2.4545  103.393 2.2849 101.954 2.5051 1.439514       3.390625 
1 1 1 2  22 28 o 91.542  1.7761 83.963   2.2986  90.251  2.5469 92.832  2.4761 -2.580742      3.552153 
1 1 1 2  22 30 o 55.152  2.3620 30.780   1.8057  53.106  3.7272 57.198  2.9024 -4.091499      4.723963 
1 1 1 2  22 32 o 31.542  4.3778 10.417   1.8701  30.626  5.8387 32.457  6.5247 -1.830452      8.755681 
1 1 1 2  22 34 o 43.196  2.8755 18.839   1.7553  43.425  3.9700 42.966  4.1610 0.4583321      5.751043 
1 1 1 2  22 36 o 26.667  4.9809 7.5241   1.9711  31.780  6.8266 21.554  7.2550 10.22562       9.961789 
1 1 1 2  22 38 o 28.418  4.5422 8.5022   1.7744  22.576  6.4590 34.260  6.3881 -11.68372      9.084436 
1 1 1 2  22 40 o 21.653  5.6713 4.4908   2.1851  19.134  7.0691 24.172  8.8702 -5.037558      11.34253 
1 1 1 2  22 42 o 27.380  5.2889 8.7332   2.0585  28.155  6.2841 26.605  8.5088 1.550455       10.57779 
1 1 1 2  22 44 o 17.620  5.1258 2.0589   2.0746  18.649  7.3874 16.591  7.1078 2.057781       10.25157 
1 1 1 2  22 46 o 21.692  6.0303 5.4340   2.7103  21.815  8.4312 21.569  8.6241 0.2455158      12.06068 
1 1 1 2  22 48 o 20.417  5.1295 5.1900   2.0318  23.249  6.7461 17.585  7.7291 5.664129       10.25906 
1 1 1 2  23 1  o 278.549 2.2531 775.723  8.8587  282.242 3.2803 274.856 3.0897 7.385986       4.506238 
1 1 1 2  23 3  o 209.457 1.8105 438.571  5.3566  212.563 2.6133 206.351 2.5063 6.211304       3.620958 
1 1 1 2  23 5  o 207.901 1.8474 432.525  5.4205  207.451 2.7085 208.350 2.5130 -0.8984528     3.694721 
1 1 1 2  23 7  o 260.894 2.0978 680.912  7.6921  261.591 3.1487 260.197 2.7729 1.394562       4.195647 
1 1 1 2  23 9  o 139.767 1.6017 195.270  3.1448  140.653 2.4060 138.880 2.1149 1.772522       3.203328 
1 1 1 2  23 11 o 319.402 2.4341 1019.06  10.910  324.398 3.6610 314.406 3.2087 9.992340       4.868123 
1 1 1 2  23 13 o 225.447 2.0237 508.882  6.4483  228.168 2.7984 222.726 2.9241 5.441498       4.047399 
1 1 1 2  23 15 o 150.003 2.0229 225.251  3.8664  149.908 3.4926 150.098 2.0419 -0.1903076     4.045714 
1 1 1 2  23 17 o 206.166 1.9275 425.500  5.6188  203.751 2.7577 208.582 2.6938 -4.831390      3.855078 
1 1 1 2  23 19 o 289.049 2.4768 836.559  10.103  287.413 3.3768 290.686 3.6243 -3.273010      4.953594 
1 1 1 2  23 21 o 202.024 2.0783 408.657  5.9353  199.992 2.9053 204.055 2.9726 -4.063110      4.156593 
1 1 1 2  23 23 o 60.111  2.3454 36.663   1.9050  57.860  3.8624 62.361  2.6621 -4.501362      4.690898 
1 1 1 2  23 25 o 210.975 2.2152 444.803  6.5738  206.270 2.9717 215.680 3.2861 -9.409531      4.430470 
1 1 1 2  23 27 o 162.915 1.8121 264.940  4.0707  160.608 2.2263 165.222 2.8597 -4.614105      3.624160 
1 1 1 2  23 29 o 69.535  2.0769 48.327   2.0352  65.785  2.9118 73.285  2.9623 -7.500618      4.153741 
1 1 1 2  23 31 o 69.511  1.9903 48.646   1.9427  71.269  2.5981 67.753  3.0157 3.515671       3.980540 
1 1 1 2  23 33 o 45.360  2.8055 21.152   1.7507  41.115  4.5036 49.606  3.3466 -8.490688      5.610938 
1 1 1 2  23 35 o 61.172  2.2558 37.764   1.9427  60.677  3.3674 61.667  3.0027 -0.9896278     4.511678 
1 1 1 2  23 37 o 57.714  2.4275 33.732   1.9711  57.157  3.2396 58.271  3.6160 -1.113525      4.854917 
1 1 1 2  23 39 f 46.667  3.8945 22.978   2.5141  46.386  4.8177 46.947  6.1202 -0.5608025     7.788935 
1 1 1 2  23 41 o 28.028  5.3481 9.1625   2.1540  26.516  7.2564 29.540  7.8582 -3.024601      10.69613 
1 1 1 2  23 43 o 19.690  5.0067 3.8839   1.8495  16.524  6.7734 22.855  7.3748 -6.331755      10.01335 
1 1 1 2  23 45 o 32.703  4.8169 12.791   2.1240  34.643  5.3450 30.763  8.0151 3.879410       9.633857 
1 1 1 2  23 47 o 30.362  5.1333 12.319   2.2303  34.559  5.7275 26.164  8.5206 8.394608       10.26667 
1 1 1 2  24 0  o 148.532 2.1073 220.795  6.2573  148.532 2.1073 ?       ?      0.000000       0.000000 
1 1 1 2  24 2  o 274.594 2.2291 754.838  8.6460  273.704 3.2426 275.484 3.0594 -1.780121      4.458123 
1 1 1 2  24 4  o 342.125 2.4282 1171.79  11.748  343.756 3.4363 340.495 3.4317 3.261780       4.856351 
1 1 1 2  24 6  o 277.595 2.3628 770.677  9.2050  275.652 3.1039 279.538 3.5633 -3.885651      4.725567 
1 1 1 2  24 8  o 273.723 2.3625 749.826  9.0944  272.903 3.1352 274.543 3.5351 -1.639771      4.725039 
1 1 1 2  24 10 o 94.169  2.0263 88.676   2.6437  93.839  2.5176 94.498  3.1757 -0.6596527     4.052551 
1 1 1 2  24 12 o 206.527 1.8474 426.798  5.3937  207.096 2.6515 205.958 2.5731 1.138687       3.694792 
1 1 1 2  24 14 o 180.000 1.7640 324.894  4.4467  177.667 2.6954 182.333 2.2762 -4.666138      3.527918 
1 1 1 2  24 16 o 112.287 1.5769 126.208  2.4640  112.109 2.4490 112.465 1.9871 -0.3564835     3.153758 
1 1 1 2  24 18 o 138.203 1.6067 190.868  3.0961  139.254 2.4760 137.152 2.0484 2.102325       3.213488 
1 1 1 2  24 20 o 125.148 1.6210 156.063  2.7606  126.911 2.6162 123.384 1.9147 3.527794       3.242000 
1 1 1 2  24 22 o 77.081  1.9353 59.604   1.9155  76.804  3.3254 77.358  1.9809 -0.5540466     3.870696 
1 1 1 2  24 24 o 147.781 1.7608 219.001  3.6645  145.827 2.6271 149.734 2.3453 -3.907501      3.521692 
1 1 1 2  24 26 o 56.428  2.5205 31.970   2.0108  57.499  3.5535 55.357  3.5756 2.142258       5.041049 
1 1 1 2  24 28 o 37.636  3.9675 14.366   2.1071  36.194  5.8216 39.078  5.3920 -2.884102      7.935006 
1 1 1 2  24 30 f 65.018  2.1851 42.218   1.9986  61.456  3.0130 68.580  3.1655 -7.123314      4.370194 
1 1 1 2  24 32 o 53.852  2.4391 29.292   1.8495  52.534  3.6463 55.171  3.2405 -2.637257      4.878105 
1 1 1 2  24 34 o 19.451  5.7383 1.3128   2.5618  20.796  8.6742 18.107  7.5147 2.688705       11.47657 
1 1 1 2  24 36 o 64.608  2.1487 42.256   1.9218  64.181  3.3825 65.035  2.6508 -0.8535385     4.297445 
1 1 1 2  24 38 o 67.593  2.4690 47.078   2.3091  65.319  3.9101 69.868  3.0158 -4.549362      4.937981 
1 1 1 2  24 40 o 57.145  2.7973 33.384   2.2303  52.496  3.7705 61.794  4.1331 -9.297970      5.594576 
1 1 1 2  24 42 o 30.984  5.3248 11.748   2.4081  36.259  5.8111 25.709  8.9243 10.55006       10.64951 
1 1 1 2  24 44 o 42.048  4.9031 20.667   2.5150  42.977  4.6057 41.120  8.6572 1.856655       9.806126 
1 1 1 2  24 46 o 28.605  4.9583 10.727   2.0432  33.310  6.3616 23.899  7.6072 9.411360       9.916613 
1 1 1 2  25 1  o 217.023 1.9462 471.552  5.9698  213.580 2.8102 220.466 2.6934 -6.886307      3.892501 
1 1 1 2  25 3  o 84.381  1.7620 71.505   2.0354  83.314  2.8356 85.447  2.0923 -2.133072      3.523973 
1 1 1 2  25 5  o 253.969 2.1088 645.779  7.5554  252.993 3.1043 254.946 2.8551 -1.953140      4.217600 
1 1 1 2  25 7  o 347.436 2.7640 1209.14  13.547  347.926 3.7438 346.945 4.0672 0.9806824      5.527909 
1 1 1 2  25 9  o 277.750 2.4531 770.917  9.4239  279.991 3.8540 275.509 3.0360 4.482605       4.906134 
1 1 1 2  25 11 o 82.063  2.4746 68.523   2.4789  79.890  4.3957 84.235  2.2740 -4.345070      4.949106 
1 1 1 2  25 13 o 99.846  1.9480 99.607   2.6291  100.372 3.1807 99.320  2.2501 1.052055       3.896081 
1 1 1 2  25 15 o 47.118  2.8438 21.986   1.8181  48.791  4.5803 45.445  3.3720 3.345837       5.687675 
1 1 1 2  25 17 o 184.070 1.9101 339.685  4.8161  183.306 3.0653 184.835 2.2799 -1.529404      3.820223 
1 1 1 2  25 19 f 55.356  2.4578 29.961   1.8112  58.726  4.0229 51.987  2.8249 6.738949       4.915631 
1 1 1 2  25 21 o 87.856  2.0149 75.895   2.1844  90.502  3.5276 85.209  1.9483 5.292732       4.029830 
1 1 1 2  25 23 o 143.316 2.0646 206.905  4.0290  140.930 3.3527 145.702 2.4103 -4.771988      4.129146 
1 1 1 2  25 25 o 98.142  1.8556 95.857   2.4758  100.279 2.9926 96.004  2.1948 4.275139       3.711168 
1 1 1 2  25 27 o 86.473  2.2137 74.410   2.5844  88.655  3.6011 84.291  2.5755 4.364243       4.427302 
1 1 1 2  25 29 o 71.164  2.3571 51.932   2.2543  66.810  3.9184 75.518  2.6210 -8.708191      4.714189 
1 1 1 2  25 31 o 20.498  5.1183 3.7877   1.8830  22.215  7.2550 18.781  7.2217 3.433615       10.23662 
1 1 1 2  25 33 o 53.590  2.7000 29.082   2.0412  50.693  3.9046 56.487  3.7302 -5.794254      5.400047 
1 1 1 2  25 35 o 35.785  4.2502 13.768   2.0113  38.142  4.6873 33.429  7.0913 4.712723       8.500413 
1 1 1 2  25 37 o 17.851  4.5133 -0.0043  1.8701  25.485  7.5130 10.217  5.0036 15.26746       9.026683 
1 1 1 2  25 39 o 19.160  4.9408 2.2881   1.8841  25.739  8.0505 12.580  5.7300 13.15897       9.881532 
1 1 1 2  25 41 o 30.456  4.7651 10.514   1.9500  26.852  6.2868 34.060  7.1626 -7.207767      9.530256 
1 1 1 2  25 43 o 26.164  5.0491 8.3948   1.9427  23.039  7.2295 29.290  7.0503 -6.251511      10.09815 
1 1 1 2  25 45 o 17.391  5.2574 2.4955   2.2968  17.463  7.3945 17.319  7.4753 0.1439438      10.51471 
1 1 1 2  26 0  o 313.886 4.0088 986.617  25.157  313.886 4.0088 ?       ?      0.000000       0.000000 
1 1 1 2  26 2  o 181.371 2.0664 329.294  5.2988  181.778 2.8803 180.964 2.9638 0.8139648      4.132825 
1 1 1 2  26 4  o 132.738 1.8729 175.011  3.4549  137.269 2.8839 128.206 2.3905 9.063416       3.745888 
1 1 1 2  26 6  o 341.063 2.7907 1164.36  13.088  342.207 4.4407 339.918 3.3811 2.289490       5.581389 
1 1 1 2  26 8  o 319.459 2.5531 1021.98  11.499  320.543 3.7648 318.376 3.4495 2.166901       5.106120 
1 1 1 2  26 10 o 102.176 1.7703 103.789  2.5141  105.289 2.7289 99.062  2.2559 6.227089       3.540656 
1 1 1 2  26 12 o 159.148 1.7171 253.177  3.8500  161.165 2.5356 157.130 2.3162 4.035492       3.434225 
1 1 1 2  26 14 o 200.322 1.8989 402.308  5.3444  198.489 2.8630 202.155 2.4952 -3.666260      3.797718 
1 1 1 2  26 16 o 190.243 1.8418 363.308  4.8634  188.118 2.8851 192.368 2.2902 -4.250458      3.683569 
1 1 1 2  26 18 o 108.054 1.9524 117.973  2.7016  106.125 3.3693 109.983 1.9739 -3.858467      3.904867 
1 1 1 2  26 20 o 125.561 1.9288 154.932  3.1805  130.848 3.2206 120.274 2.1235 10.57341       3.857687 
1 1 1 2  26 22 o 177.281 2.0812 315.490  5.1879  175.597 3.1271 178.964 2.7472 -3.366531      4.162447 
1 1 1 2  26 24 o 99.298  1.8638 98.702   2.6116  101.375 2.7083 97.221  2.5614 4.154091       3.727677 
1 1 1 2  26 26 o 45.907  2.9367 20.719   1.8623  40.754  3.9168 51.060  4.3767 -10.30610      5.873436 
1 1 1 2  26 28 f 22.624  4.6690 5.1631   1.6125  18.826  6.4602 26.422  6.7428 -7.596466      9.338089 
1 1 1 2  26 30 o 54.596  2.7555 30.329   2.1071  50.211  4.1965 58.982  3.5724 -8.771259      5.511095 
1 1 1 2  26 32 o 69.499  2.2415 48.754   2.2024  68.131  3.1864 70.868  3.1534 -2.736916      4.482990 
1 1 1 2  26 34 o 26.949  4.7077 7.9129   1.7787  28.542  6.7989 25.357  6.5134 3.184694       9.415383 
1 1 1 2  26 36 o 27.250  4.8637 8.5134   1.8623  24.868  7.9599 29.632  5.5914 -4.763727      9.727459 
1 1 1 2  26 38 o 26.670  5.1871 8.2447   2.0412  23.824  7.4744 29.516  7.1942 -5.691639      10.37418 
1 1 1 2  26 40 o 14.913  4.6861 -0.3996  1.9773  14.245  6.4090 15.581  6.8383 -1.335982      9.372185 
1 1 1 2  26 42 o 33.593  4.6911 13.337   2.1540  35.309  5.6058 31.877  7.5233 3.431942       9.382174 
1 1 1 2  26 44 o 19.142  5.2556 4.2241   1.9933  16.444  6.6811 21.839  8.1147 -5.395197      10.51120 
1 1 1 2  27 1  o 372.699 3.1204 1393.06  16.440  375.861 4.3319 369.537 4.4924 6.323761       6.240757 
1 1 1 2  27 3  o 190.067 2.2843 361.689  6.1057  190.420 3.4202 189.715 3.0290 0.7049713      4.568690 
1 1 1 2  27 5  f 195.725 2.1362 384.625  5.7333  193.800 3.4265 197.651 2.5521 -3.851608      4.272422 
1 1 1 2  27 7  o 190.338 2.1430 363.066  5.7118  189.412 3.2699 191.264 2.7708 -1.852356      4.285948 
1 1 1 2  27 9  o 147.752 1.9727 217.228  3.9657  150.592 3.1800 144.912 2.3353 5.679565       3.945338 
1 1 1 2  27 11 f 184.312 1.9259 340.530  5.0072  182.000 2.8417 186.624 2.6002 -4.624573      3.851799 
1 1 1 2  27 13 o 79.716  1.9966 63.912   2.1246  78.850  3.3200 80.581  2.2187 -1.730324      3.993140 
1 1 1 2  27 15 o 87.257  2.0467 76.911   2.3650  85.436  3.4378 89.078  2.2221 -3.641808      4.093421 
1 1 1 2  27 17 o 27.053  5.1264 7.4492   1.8973  28.701  8.2410 25.406  6.0996 3.294249       10.25279 
1 1 1 2  27 19 o 112.312 1.7029 126.902  2.5633  110.944 2.8200 113.679 1.9097 -2.735176      3.405816 
1 1 1 2  27 21 f 85.797  1.9402 73.715   2.2776  86.135  3.1134 85.459  2.3162 0.6758575      3.880445 
1 1 1 2  27 23 o 149.619 1.8493 224.448  3.8572  149.748 2.8568 149.490 2.3492 0.2581635      3.698622 
1 1 1 2  27 25 o 180.537 2.0009 325.765  4.9699  183.253 3.1707 177.822 2.4417 5.431335       4.001889 
1 1 1 2  27 27 o 78.776  1.9541 62.341   2.1690  73.761  2.8566 83.792  2.6670 -10.03079      3.908118 
1 1 1 2  27 29 o 23.164  4.7522 5.6385   1.6208  23.227  6.0052 23.100  7.3669 0.1263599      9.504394 
1 1 1 2  27 31 o 17.092  4.7972 1.8020   1.7027  18.316  7.1845 15.868  6.3590 2.447932       9.594433 
1 1 1 2  27 33 f 30.736  4.7534 10.392   2.0067  32.467  6.1239 29.005  7.2716 3.461660       9.506757 
1 1 1 2  27 35 o 16.389  5.1166 -0.7024  2.3625  15.117  6.9136 17.660  7.5446 -2.542328      10.23324 
1 1 1 2  27 37 o 18.303  5.1850 1.7596   2.1690  21.772  7.9188 14.835  6.6955 6.937623       10.37004 
1 1 1 2  27 39 o 29.150  5.0489 10.130   2.0746  31.453  6.8878 26.846  7.3839 4.607592       10.09771 
1 1 1 2  27 41 o 25.779  6.0021 8.6613   2.4966  25.349  7.8028 26.210  9.1223 -0.8613148     12.00416 
1 1 1 2  27 43 o 37.150  4.6018 16.422   2.2986  32.601  6.1015 41.699  6.8905 -9.098061      9.203637 
1 1 1 2  28 0  o 77.311  2.6497 60.019   4.0864  77.311  2.6497 ?       ?      0.000000       0.000000 
1 1 1 2  28 2  o 117.744 1.7118 139.005  2.8324  116.273 2.5810 119.216 2.2495 -2.942802      3.423674 
1 1 1 2  28 4  o 61.768  2.2330 38.275   1.9469  60.371  3.2787 63.166  3.0325 -2.794910      4.466074 
1 1 1 2  28 6  o 153.023 1.7707 234.374  3.8268  153.851 2.5731 152.194 2.4333 1.656296       3.541429 
1 1 1 2  28 8  o 114.620 1.6350 131.454  2.6463  115.562 2.3758 113.678 2.2467 1.884857       3.269911 
1 1 1 2  28 10 o 121.019 1.7732 146.540  3.0245  121.986 2.6171 120.051 2.3934 1.934799       3.546483 
1 1 1 2  28 12 o 214.190 1.9860 459.902  5.9850  212.547 2.9740 215.832 2.6329 -3.285583      3.972037 
1 1 1 2  28 14 o 122.765 1.7952 150.532  3.0411  123.991 2.8323 121.540 2.2064 2.450500       3.590307 
1 1 1 2  28 16 o 96.424  1.7953 93.447   2.3994  94.983  2.8234 97.865  2.2183 -2.882187      3.590564 
1 1 1 2  28 18 o 97.544  1.9439 96.296   2.5416  94.983  3.2267 100.105 2.1686 -5.122612      3.887749 
1 1 1 2  28 20 o 105.634 1.9538 111.432  2.7583  106.753 3.2298 104.516 2.1993 2.236679       3.907518 
1 1 1 2  28 22 o 81.376  1.9494 66.271   2.2056  82.403  3.0220 80.350  2.4634 2.052803       3.898810 
1 1 1 2  28 24 o 48.866  2.8011 24.426   1.7438  47.285  4.8612 50.447  2.7845 -3.162056      5.602235 
1 1 1 2  28 26 o 52.034  3.1443 27.815   2.2447  49.083  5.0734 54.984  3.7160 -5.901470      6.288696 
1 1 1 2  28 28 o 64.031  2.5071 42.225   2.1654  60.011  4.1495 68.051  2.8148 -8.040009      5.014139 
1 1 1 2  28 30 o 21.619  4.8785 4.7888   1.7240  24.056  6.8408 19.182  6.9573 4.874395       9.757051 
1 1 1 2  28 32 o 37.399  4.3421 14.967   2.0789  38.268  4.5050 36.531  7.4244 1.736450       8.684266 
1 1 1 2  28 34 o 57.335  2.9525 33.999   2.3906  59.369  4.1944 55.301  4.1565 4.067196       5.905077 
1 1 1 2  28 36 o 34.798  5.1608 14.062   2.4545  34.056  7.6821 35.540  6.8934 -1.483940      10.32151 
1 1 1 2  28 38 o 19.246  4.8902 3.9469   1.7145  20.144  6.7361 18.348  7.0909 1.796650       9.780396 
1 1 1 2  28 40 o 17.474  5.2893 1.7896   2.3301  17.427  7.4979 17.522  7.4624 -0.9512138E-01 10.57862 
1 1 1 2  28 42 o 19.326  5.3779 4.4012   2.1907  20.163  7.2204 18.489  7.9721 1.673594       10.75589 
1 1 1 2  29 1  o 182.197 1.8838 332.434  4.8493  182.557 2.7281 181.836 2.5985 0.7211761      3.767552 
1 1 1 2  29 3  o 34.590  3.9833 12.318   1.8787  32.657  6.2853 36.523  4.8950 -3.865749      7.966536 
1 1 1 2  29 5  o 56.705  2.4409 32.359   1.9469  54.001  3.6654 59.410  3.2242 -5.409451      4.881709 
1 1 1 2  29 7  o 181.005 1.9236 327.916  4.8958  181.887 2.8786 180.123 2.5523 1.764038       3.847100 
1 1 1 2  29 9  o 282.659 2.3083 800.780  9.2263  281.064 3.2940 284.253 3.2346 -3.189423      4.616627 
1 1 1 2  29 11 o 217.661 2.0806 475.313  6.3621  215.639 3.1386 219.683 2.7321 -4.043732      4.161174 
1 1 1 2  29 13 o 214.654 2.0900 462.070  6.2799  214.106 3.1909 215.202 2.7000 -1.095810      4.179952 
1 1 1 2  29 15 o 70.842  2.3298 50.192   2.2117  71.468  3.8417 70.216  2.6371 1.252556       4.659675 
1 1 1 2  29 17 o 71.532  2.3141 51.899   2.1655  69.823  3.9322 73.240  2.4410 -3.417351      4.628253 
1 1 1 2  29 19 o 63.717  2.6343 41.386   2.0140  62.304  4.7141 65.130  2.3528 -2.825768      5.268686 
1 1 1 2  29 21 o 113.310 2.0539 127.183  3.1049  117.020 3.3829 109.600 2.3303 7.420769       4.107880 
1 1 1 2  29 23 o 80.524  2.6293 64.497   2.9521  85.997  3.9351 75.051  3.4881 10.94595       5.258509 
1 1 1 2  29 25 f 50.790  3.3597 26.715   2.0684  48.997  5.9945 52.583  3.0357 -3.586128      6.719302 
1 1 1 2  29 27 o 23.359  5.1990 5.6614   1.8815  24.642  7.8411 22.077  6.8290 2.564432       10.39795 
1 1 1 2  29 29 o 28.321  5.0112 8.8832   2.0412  24.591  7.7111 32.051  6.4022 -7.460157      10.02245 
1 1 1 2  29 31 o 62.165  2.8257 40.017   2.4545  65.826  3.5890 58.503  4.3656 7.323071       5.651482 
1 1 1 2  29 33 o 25.726  5.2123 7.2564   2.1540  32.567  7.4177 18.886  7.3246 13.68124       10.42456 
1 1 1 2  29 35 f 22.071  5.5633 5.3135   2.1654  24.821  8.4134 19.320  7.2812 5.501745       11.12663 
1 1 1 2  29 37 o 56.714  2.9907 34.002   2.3837  56.539  3.9526 56.890  4.4894 -0.3510818     5.981494 
1 1 1 2  29 39 o 28.671  5.1396 10.329   2.1347  33.472  6.9122 23.871  7.6081 9.601299       10.27920 
1 1 1 2  29 41 f 15.719  4.8415 0.6823   2.1385  13.346  6.2753 18.093  7.3744 -4.746904      9.683030 
1 1 1 2  30 0  o 38.873  4.3657 15.707   3.3202  38.873  4.3657 ?       ?      0.000000       0.000000 
1 1 1 2  30 2  o 136.163 1.8899 185.559  3.6350  138.055 2.7288 134.272 2.6154 3.782806       3.779758 
1 1 1 2  30 4  o 189.665 1.9044 360.235  5.1048  191.105 2.7397 188.226 2.6459 2.878769       3.808812 
1 1 1 2  30 6  o 129.884 1.8250 168.971  3.3518  128.239 2.5891 131.529 2.5729 -3.289490      3.650077 
1 1 1 2  30 8  o 117.288 1.6966 137.693  2.7964  117.874 2.5459 116.702 2.2432 1.172157       3.393168 
1 1 1 2  30 10 o 177.318 1.9270 315.349  4.8036  176.429 2.8952 178.207 2.5439 -1.777985      3.854049 
1 1 1 2  30 12 o 57.892  2.3971 33.114   1.8590  60.269  3.9199 55.516  2.7603 4.753090       4.794268 
1 1 1 2  30 14 o 73.933  2.3535 55.180   2.3843  72.512  3.7864 75.355  2.7962 -2.843918      4.706944 
1 1 1 2  30 16 o 48.464  3.0441 23.574   2.0354  49.266  4.7954 47.662  3.7510 1.603584       6.088161 
1 1 1 2  30 18 o 35.506  5.3339 13.329   2.0820  34.184  9.8946 36.828  3.9876 -2.644650      10.66789 
1 1 1 2  30 20 o 52.766  2.6824 28.259   1.9711  50.323  4.1871 55.210  3.3539 -4.886879      5.364706 
1 1 1 2  30 22 o 58.841  2.7122 34.368   2.1180  61.253  4.4823 56.429  3.0551 4.824738       5.424467 
1 1 1 2  30 24 o 18.728  5.2722 1.7367   1.8153  24.015  8.8638 13.441  5.7113 10.57379       10.54446 
1 1 1 2  30 26 o 18.883  4.9499 2.9304   1.7520  18.478  7.5008 19.287  6.4610 -0.8086929     9.899851 
1 1 1 2  30 28 o 26.615  4.5082 7.7567   1.8429  19.704  7.4064 33.527  5.1419 -13.82396      9.016332 
1 1 1 2  30 30 o 42.861  3.2010 18.661   1.8841  46.568  4.9360 39.155  4.0768 7.413239       6.401932 
1 1 1 2  30 32 o 24.035  5.3689 6.4857   2.0993  27.902  7.7419 20.168  7.4408 7.734734       10.73789 
1 1 1 2  30 34 o 53.841  3.0984 30.823   2.3196  51.268  4.8572 56.415  3.8481 -5.146976      6.196774 
1 1 1 2  30 36 o 14.922  4.7882 -1.4047  2.2348  16.306  7.1542 13.538  6.3659 2.768567       9.576385 
1 1 1 2  30 38 o 27.009  5.1237 9.3100   2.0067  24.623  7.2793 29.394  7.2127 -4.770462      10.24747 
1 1 1 2  30 40 o 16.055  5.0833 0.0905   2.5120  14.043  6.7255 18.066  7.6240 -4.023680      10.16650 
1 1 1 2  31 1  f 33.713  4.2408 11.851   1.9469  29.936  6.7699 37.491  5.1093 -7.554770      8.481507 
1 1 1 2  31 3  o 89.514  2.0930 80.258   2.6463  92.500  2.9682 86.528  2.9517 5.972801       4.185980 
1 1 1 2  31 5  o 90.469  2.1550 82.100   2.7218  90.513  3.3155 90.426  2.7538 0.8713531E-01  4.310022 
1 1 1 2  31 7  o 102.733 2.0440 105.876  2.9687  102.171 2.9372 103.296 2.8434 -1.125404      4.088049 
1 1 1 2  31 9  o 50.013  2.7603 25.132   1.8389  50.085  4.5894 49.941  3.0685 0.1446304      5.520688 
1 1 1 2  31 11 o 123.329 1.8588 151.635  3.1533  125.918 2.9411 120.740 2.2740 5.178352       3.717614 
1 1 1 2  31 13 o 92.742  1.9836 86.198   2.4519  93.022  3.2947 92.463  2.2098 0.5584259      3.967163 
1 1 1 2  31 15 o 19.634  5.2649 2.7301   1.9136  19.989  8.3146 19.280  6.4610 0.7087860      10.52983 
1 1 1 2  31 17 f 152.777 1.9033 233.342  4.0056  154.856 3.0099 150.698 2.3303 4.157501       3.806604 
1 1 1 2  31 19 o 108.164 2.1949 117.642  3.2416  108.355 3.5356 107.972 2.6020 0.3831177      4.389858 
1 1 1 2  31 21 f 105.696 2.1866 110.666  2.9422  108.817 3.7553 102.574 2.2409 6.242653       4.373124 
1 1 1 2  31 23 o 59.890  3.1111 36.695   2.4247  59.018  5.3012 60.761  3.2576 -1.742271      6.222114 
1 1 1 2  31 25 o 38.547  4.7351 15.321   2.0364  39.615  8.6215 37.479  3.9183 2.135414       9.470154 
1 1 1 2  31 27 o 38.986  4.0629 15.929   2.1409  45.627  5.3177 32.345  6.1442 13.28226       8.125877 
1 1 1 2  31 29 f 20.106  5.1836 3.9651   1.8964  21.256  7.6933 18.957  6.9492 2.299330       10.36723 
1 1 1 2  31 31 o 37.742  4.2465 15.398   2.2626  36.183  5.9999 39.302  6.0111 -3.119144      8.493069 
1 1 1 2  31 33 o 15.809  5.0380 -1.4786  2.4196  13.556  6.3984 18.062  7.7838 -4.505488      10.07604 
1 1 1 2  31 35 o 41.069  4.2807 18.898   2.4640  44.323  6.1945 37.815  5.9097 6.507702       8.561331 
1 1 1 2  31 37 o 20.350  5.5762 4.0564   2.6291  23.973  7.9703 16.727  7.8006 7.245792       11.15231 
1 1 1 2  31 39 o 16.230  5.0955 1.3522   2.3196  17.162  7.5406 15.299  6.8553 1.862350       10.19094 
1 1 1 2  32 0  o 217.235 2.7933 472.876  12.132  217.235 2.7933 ?       ?      0.000000       0.000000 
1 1 1 2  32 2  o 160.966 1.8932 259.435  4.2983  157.995 2.5864 163.937 2.7653 -5.941772      3.786374 
1 1 1 2  32 4  o 31.984  4.8683 10.759   2.1271  33.882  7.0205 30.086  6.7465 3.796640       9.736613 
1 1 1 2  32 6  o 54.503  2.9353 30.426   2.1654  51.523  4.8331 57.482  3.3324 -5.958912      5.870547 
1 1 1 2  32 8  o 53.251  3.0610 28.584   2.2827  53.453  4.6586 53.050  3.9718 0.4027100      6.121955 
1 1 1 2  32 10 o 79.325  2.3631 63.564   2.5789  77.787  3.7759 80.864  2.8426 -3.077209      4.726234 
1 1 1 2  32 12 o 146.947 1.7983 216.477  3.7284  147.753 2.6361 146.140 2.4467 1.613907       3.596564 
1 1 1 2  32 14 o 109.518 1.9726 120.160  2.9761  110.335 3.1250 108.702 2.4083 1.633125       3.945289 
1 1 1 2  32 16 o 57.706  3.0594 32.950   2.1844  59.758  5.3424 55.654  2.9829 4.103558       6.118782 
1 1 1 2  32 18 o 90.937  2.4852 83.476   3.1874  90.588  3.6652 91.286  3.3574 -0.6983566     4.970492 
1 1 1 2  32 20 o 92.011  2.2382 85.205   2.7825  92.562  3.6560 91.461  2.5830 1.100266       4.476441 
1 1 1 2  32 22 o 85.492  2.3042 74.206   2.4978  84.653  3.9976 86.331  2.2928 -1.678467      4.608424 
1 1 1 2  32 24 f 46.795  4.1953 22.468   2.4248  47.751  7.3543 45.839  4.0395 1.912571       8.390654 
1 1 1 2  32 26 o 33.804  4.9118 12.660   2.1367  33.064  8.4615 34.545  4.9905 -1.481155      9.823507 
1 1 1 2  32 28 o 15.322  4.7870 -0.4370  2.0412  15.266  6.7991 15.379  6.7403 -0.1135359     9.573920 
1 1 1 2  32 30 o 32.583  5.2405 12.542   2.3349  31.700  8.1990 33.465  6.5292 -1.765791      10.48107 
1 1 1 2  32 32 o 14.717  4.8531 -2.8716  2.4640  14.288  6.6101 15.147  7.1074 -0.8591776     9.706140 
1 1 1 2  32 34 o 36.548  4.7124 15.771   2.3625  40.252  5.8692 32.845  7.3742 7.407227       9.424768 
1 1 1 2  32 36 o 16.840  5.0606 2.1090   2.1051  16.777  7.0855 16.904  7.2273 -0.1271229     10.12114 
1 1 1 2  33 1  o 70.967  2.3866 50.643   2.3940  71.467  3.3057 70.468  3.4432 0.9997177      4.773133 
1 1 1 2  33 3  o 103.524 2.0294 107.495  2.9605  104.335 2.9987 102.712 2.7352 1.622864       4.058757 
1 1 1 2  33 5  o 52.492  2.9286 27.796   2.1690  51.810  4.3134 53.173  3.9627 -1.362293      5.857294 
1 1 1 2  33 7  o 143.907 1.9666 207.893  3.9700  143.582 2.9795 144.232 2.5676 -0.6504974     3.933184 
1 1 1 2  33 9  o 124.557 1.9224 155.561  3.3732  125.736 2.8438 123.378 2.5876 2.357384       3.844819 
1 1 1 2  33 11 o 134.662 1.8985 181.637  3.5734  136.620 2.8976 132.703 2.4539 3.917297       3.797061 
1 1 1 2  33 13 o 102.312 2.1010 105.524  2.9344  101.654 3.3918 102.969 2.4804 -1.314796      4.201984 
1 1 1 2  33 15 o 48.543  3.2730 23.907   2.2056  48.783  5.1046 48.302  4.0979 0.4812546      6.545944 
1 1 1 2  33 17 o 46.227  3.4205 22.085   2.1033  44.545  5.7336 47.909  3.7317 -3.364117      6.841041 
1 1 1 2  33 19 o 73.905  2.5190 55.370   2.4973  73.683  4.1595 74.127  2.8425 -0.4440918     5.037955 
1 1 1 2  33 21 o 96.076  2.3486 93.005   3.1606  99.731  3.5213 92.421  3.1089 7.309731       4.697279 
1 1 1 2  33 23 o 46.911  3.5054 22.664   2.2951  50.001  5.2357 43.822  4.6625 6.178585       7.010807 
1 1 1 2  33 25 o 19.569  4.7874 2.0266   2.0987  14.219  6.7896 24.920  6.7510 -10.70069      9.574710 
1 1 1 2  33 27 o 22.861  5.7190 5.1827   2.4479  18.055  7.5649 27.667  8.5790 -9.612825      11.43795 
1 1 1 2  33 29 o 31.874  5.2469 12.114   2.3266  29.085  7.6000 34.663  7.2359 -5.578669      10.49372 
1 1 1 2  33 31 o 30.438  5.7287 11.702   2.5023  31.167  7.4628 29.708  8.6935 1.458626       11.45732 
1 1 1 2  33 33 o 20.931  5.8285 4.7249   2.6179  18.408  7.9055 23.453  8.5668 -5.045506      11.65705 
1 1 1 2  33 35 o 15.999  4.9687 1.0771   2.1987  15.136  6.8892 16.862  7.1619 -1.726248      9.937481 
1 1 1 2  34 0  o 121.494 2.6832 148.133  6.5127  121.494 2.6832 ?       ?      0.000000       0.000000 
1 1 1 2  34 2  o 110.058 1.8662 121.509  2.9020  112.654 2.6639 107.462 2.6143 5.191223       3.732431 
1 1 1 2  34 4  o 67.391  2.4438 46.203   2.2915  63.432  3.8251 71.351  3.0426 -7.919159      4.887614 
1 1 1 2  34 6  o 39.914  3.6368 15.877   1.9454  42.075  5.9184 37.754  4.2281 4.321404       7.273549 
1 1 1 2  34 8  o 22.578  5.7732 4.4304   2.3735  25.326  8.6264 19.831  7.6750 5.495390       11.54649 
1 1 1 2  34 10 o 84.027  2.2917 70.788   2.6682  85.805  3.5719 82.250  2.8723 3.555016       4.583479 
1 1 1 2  34 12 o 79.068  2.2996 62.759   2.4966  80.338  3.6560 77.797  2.7905 2.541061       4.599216 
1 1 1 2  34 14 o 61.479  2.7793 37.656   2.2714  64.082  4.5834 58.876  3.1450 5.206051       5.558643 
1 1 1 2  34 16 o 28.935  5.4500 9.3477   2.2986  25.487  9.0076 32.383  6.1378 -6.895992      10.90001 
1 1 1 2  34 18 o 41.825  3.9457 17.956   2.1851  42.770  6.5687 40.879  4.3734 1.891018       7.891383 
1 1 1 2  34 20 o 29.196  6.4965 9.5993   2.9344  32.343  9.8090 26.049  8.5206 6.294838       12.99297 
1 1 1 2  34 22 o 42.697  4.9517 20.065   2.6338  42.210  8.6180 43.185  4.8792 -0.9752922     9.903316 
1 1 1 2  34 24 o 44.074  4.0411 20.440   2.4312  47.197  6.3583 40.951  4.9894 6.246201       8.082218 
1 1 1 2  34 26 o 22.242  5.5963 5.0288   2.4053  19.257  8.4139 25.228  7.3811 -5.971584      11.19255 
1 1 1 2  34 28 f 25.317  5.8139 7.8153   2.3837  23.212  7.9688 27.422  8.4678 -4.210419      11.62783 
1 1 1 2  34 30 o 28.385  5.1190 9.9508   2.0629  26.922  7.8320 29.849  6.5936 -2.927542      10.23799 
1 1 1 2  34 32 o 19.482  5.3011 4.4185   2.0746  18.465  7.4330 20.498  7.5604 -2.032131      10.60229 
1 1 1 2  34 34 o 19.729  5.6091 4.8294   2.4247  18.950  8.1157 20.509  7.7450 -1.558926      11.21827 
1 1 1 2  35 1  o 23.715  5.7120 5.5550   2.2986  23.268  8.0728 24.162  8.0833 -0.8934021     11.42408 
1 1 1 2  35 3  o 53.034  3.3389 28.733   2.4885  50.663  5.0412 55.405  4.3792 -4.742466      6.677703 
1 1 1 2  35 5  o 50.274  3.2970 25.832   2.3301  52.953  4.3408 47.595  4.9637 5.358688       6.594059 
1 1 1 2  35 7  o 44.577  3.9346 20.005   2.4312  48.898  5.8761 40.256  5.2342 8.642204       7.869257 
1 1 1 2  35 9  o 55.348  2.9744 30.947   2.3091  57.853  4.4146 52.843  3.9874 5.010670       5.948832 
1 1 1 2  35 11 o 48.913  3.4089 24.382   2.2566  49.488  5.5479 48.338  3.9627 1.149952       6.817811 
1 1 1 2  35 13 o 111.852 2.1532 126.699  3.3540  110.738 3.3442 112.965 2.7131 -2.226639      4.306338 
1 1 1 2  35 15 o 79.661  2.8127 65.248   2.8229  78.070  4.9072 81.253  2.7504 -3.183167      5.625409 
1 1 1 2  35 17 o 72.042  2.8640 53.424   2.8037  71.258  4.6594 72.827  3.3316 -1.568558      5.728010 
1 1 1 2  35 19 o 54.679  3.0859 31.191   2.2566  53.508  5.1311 55.850  3.4298 -2.341698      6.171837 
1 1 1 2  35 21 o 47.154  4.6974 24.040   2.8733  48.049  7.9731 46.258  4.9691 1.791061       9.394815 
1 1 1 2  35 23 o 30.617  5.6221 11.032   2.3126  28.205  9.9593 33.029  5.2196 -4.824053      11.24418 
1 1 1 2  35 25 o 55.743  4.2409 34.066   3.0269  55.000  7.3138 56.486  4.2954 -1.486725      8.481888 
1 1 1 2  35 27 o 56.208  3.0987 33.672   2.4578  54.627  4.5585 57.788  4.1986 -3.160973      6.197437 
1 1 1 2  35 29 o 35.544  4.6284 15.014   2.2183  38.554  5.2996 32.533  7.5897 6.021133       9.256842 
1 1 1 2  35 31 o 26.487  5.1556 9.2127   2.0108  24.528  7.5738 28.447  6.9971 -3.919661      10.31126 
1 1 1 2  36 0  o 28.001  9.0612 10.216   4.4695  28.001  9.0612 ?       ?      0.000000       0.000000 
1 1 1 2  36 2  o 38.444  3.8845 15.278   2.1051  37.659  5.7646 39.229  5.2084 -1.569530      7.769089 
1 1 1 2  36 4  o 51.333  3.4153 27.424   2.4112  47.689  5.4895 54.978  4.0648 -7.289272      6.830605 
1 1 1 2  36 6  o 23.127  5.7363 5.2116   2.3607  21.284  8.1437 24.970  8.0809 -3.686337      11.47257 
1 1 1 2  36 8  o 46.251  3.7083 22.052   2.4196  48.309  5.2869 44.193  5.2013 4.115665       7.416533 
1 1 1 2  36 10 o 68.289  2.9134 47.049   2.7383  71.327  4.5654 65.252  3.6205 6.075272       5.826787 
1 1 1 2  36 12 o 51.056  3.3639 27.365   2.2321  48.737  5.7645 53.375  3.4692 -4.638474      6.727898 
1 1 1 2  36 14 o 61.255  3.4968 38.167   2.6248  63.452  6.1383 59.059  3.3515 4.393452       6.993662 
1 1 1 2  36 16 o 53.389  3.3587 29.487   2.2754  53.901  5.8045 52.876  3.3811 1.024788       6.717416 
1 1 1 2  36 18 o 35.816  5.5131 15.675   2.5971  29.808  9.8079 41.823  5.0380 -12.01474      11.02619 
1 1 1 2  36 20 o 15.640  5.1280 -3.2162  2.4437  19.907  8.6422 11.374  5.5223 8.533358       10.25591 
1 1 1 2  36 22 o 18.440  5.4925 1.2533   2.4946  17.615  8.2303 19.266  7.2753 -1.650965      10.98491 
1 1 1 2  36 24 f 29.199  5.7623 10.514   2.2986  28.272  9.8796 30.127  5.9337 -1.854183      11.52454 
1 1 1 2  36 26 o 30.740  5.3140 11.763   2.2702  31.555  6.6798 29.924  8.2664 1.630629       10.62796 
1 1 1 2  36 28 o 33.741  4.8400 13.792   2.1454  31.487  5.8961 35.994  7.6772 -4.507341      9.680010 
1 1 1 2  36 30 o 26.982  5.4145 10.041   2.1690  28.073  7.4001 25.892  7.9059 2.181421       10.82893 
1 1 1 2  37 1  o 29.803  5.5016 9.8578   2.4545  23.629  8.1854 35.977  7.3531 -12.34846      11.00315 
1 1 1 2  37 3  o 15.265  4.9199 -2.4229  2.3607  15.414  7.0324 15.116  6.8825 0.2978773      9.839883 
1 1 1 2  37 5  o 28.591  5.5444 9.3222   2.4312  23.906  8.9358 33.276  6.5659 -9.369593      11.08873 
1 1 1 2  37 7  o 32.342  5.6239 12.122   2.5383  30.043  9.0417 34.640  6.6902 -4.596397      11.24774 
1 1 1 2  37 9  o 19.657  5.6017 2.6272   2.3225  22.555  8.7307 16.759  7.0208 5.795834       11.20345 
1 1 1 2  37 11 o 30.275  5.5818 10.394   2.2902  31.742  9.0253 28.809  6.5705 2.932215       11.16367 
1 1 1 2  37 13 o 23.227  6.1076 5.4691   2.6157  23.271  9.4506 23.184  7.7392 0.8686638E-01  12.21510 
1 1 1 2  37 15 o 31.304  5.8885 11.726   2.7043  36.202  8.1356 26.407  8.5152 9.794310       11.77698 
1 1 1 2  37 17 o 51.637  3.8501 28.542   2.5480  51.011  6.6340 52.264  3.9094 -1.252125      7.700208 
1 1 1 2  37 19 o 17.197  5.3895 0.6500   2.1693  20.629  8.9258 13.766  6.0430 6.863210       10.77901 
1 1 1 2  37 21 f 23.201  5.8530 6.0287   2.4115  21.915  9.4069 24.488  6.9672 -2.572575      11.70610 
1 1 1 2  37 23 o 20.960  5.9075 4.5552   2.5182  23.485  9.1881 18.435  7.4279 5.049940       11.81499 
1 1 1 2  37 25 o 29.090  5.4726 11.431   2.3978  23.506  9.6547 34.674  5.1561 -11.16759      10.94527 
1 1 1 2  37 27 o 19.983  5.1627 4.8008   2.0253  22.689  7.2439 17.277  7.3581 5.411242       10.32550 
1 1 1 2  38 0  o 77.628  3.3862 61.296   5.2357  77.628  3.3862 ?       ?      0.000000       0.000000 
1 1 1 2  38 2  o 78.485  2.5315 63.136   2.8036  79.450  3.6968 77.520  3.4594 1.929871       5.062964 
1 1 1 2  38 4  o 58.672  3.0086 35.756   2.4902  56.278  4.4248 61.066  4.0778 -4.788326      6.017214 
1 1 1 2  38 6  o 29.520  5.7205 10.267   2.4545  29.900  8.2694 29.141  7.9067 0.7591991      11.44107 
1 1 1 2  38 8  o 22.996  5.6277 5.7101   2.1180  25.157  8.8137 20.834  7.0004 4.322609       11.25547 
1 1 1 2  38 10 o 39.245  4.3506 16.326   2.3440  43.151  6.6587 35.338  5.6012 7.812473       8.701221 
1 1 1 2  38 12 o 25.460  6.2648 7.3737   2.6516  25.922  9.8955 24.998  7.6857 0.9242229      12.52956 
1 1 1 2  38 14 o 52.656  3.6183 29.850   2.6680  51.950  5.5309 53.362  4.6666 -1.412148      7.236542 
1 1 1 2  38 16 o 72.491  2.6886 54.769   2.7322  71.799  4.0908 73.183  3.4899 -1.383759      5.377155 
1 1 1 2  38 18 o 69.308  3.2760 51.394   3.0880  68.329  5.3264 70.288  3.8154 -1.958961      6.551930 
1 1 1 2  38 20 o 52.721  4.3618 32.505   2.7875  47.287  7.8315 58.155  3.8428 -10.86734      8.723507 
1 1 1 2  38 22 o 33.237  6.4776 14.375   2.8507  37.813  10.570 28.661  7.4913 9.151749       12.95524 
1 1 1 2  38 24 o 28.607  6.6638 12.294   2.9937  27.672  10.991 29.541  7.5387 -1.868990      13.32764 
1 1 1 2  38 26 o 33.340  5.3331 14.963   2.4545  32.157  7.4809 34.524  7.6029 -2.366913      10.66621 
1 1 1 2  39 1  o 74.884  2.6401 58.099   2.7683  72.573  4.0471 77.194  3.3913 -4.621384      5.280139 
1 1 1 2  39 3  o 60.354  2.8449 37.781   2.4246  62.886  3.9598 57.822  4.0858 5.064190       5.689807 
1 1 1 2  39 5  o 76.331  2.4254 59.956   2.6179  75.620  3.4619 77.042  3.3980 -1.422043      4.850862 
1 1 1 2  39 7  o 41.098  4.0125 18.394   2.3301  40.582  5.8214 41.614  5.5237 -1.031860      8.024965 
1 1 1 2  39 9  o 30.585  5.5589 11.059   2.3882  35.918  8.1799 25.252  7.5296 10.66648       11.11778 
1 1 1 2  39 11 o 23.942  6.2348 6.4364   2.5834  26.668  9.8966 21.217  7.5861 5.451015       12.46960 
1 1 1 2  39 13 o 25.834  6.2812 7.3727   2.9140  33.328  9.8573 18.340  7.7877 14.98799       12.56245 
1 1 1 2  39 15 o 50.983  4.6262 31.189   2.6172  44.136  8.5512 57.830  3.5331 -13.69398      9.252317 
1 1 1 2  39 17 o 26.020  6.3028 8.5985   3.1621  21.557  9.5751 30.482  8.1988 -8.924282      12.60570 
1 1 1 2  39 19 o 18.072  5.7588 1.1748   2.7788  19.537  9.1057 16.606  7.0529 2.931345       11.51765 
1 1 1 2  39 21 f 19.761  5.5070 3.2212   2.6516  16.410  7.8367 23.113  7.7392 -6.702827      11.01404 
1 1 1 2  39 23 f 22.221  6.0786 7.0704   2.6689  21.995  9.3794 22.448  7.7348 -0.4527740     12.15729 
1 1 1 2  40 0  o 27.582  9.1406 10.471   4.4695  27.582  9.1406 ?       ?      0.000000       0.000000 
1 1 1 2  40 2  o 29.479  5.7517 10.756   2.4754  28.627  8.6445 30.332  7.5894 -1.704710      11.50333 
1 1 1 2  40 4  o 40.469  4.1154 17.757   2.3193  43.935  6.1039 37.003  5.5218 6.931641       8.230862 
1 1 1 2  40 6  o 85.076  2.4510 75.066   2.9149  84.952  3.7581 85.201  3.1475 -0.2492905     4.902029 
1 1 1 2  40 8  o 79.920  3.0621 67.401   3.3083  80.511  4.9963 79.329  3.5415 1.181892       6.124115 
1 1 1 2  40 10 o 66.668  3.7015 48.324   2.9508  65.490  6.6298 67.845  3.2939 -2.355553      7.402965 
1 1 1 2  40 12 o 40.478  5.9260 20.792   3.2632  43.509  8.5219 37.447  8.2369 6.062382       11.85201 
1 1 1 2  40 14 o 19.900  5.7779 3.7317   2.4973  22.465  8.9970 17.335  7.2519 5.129793       11.55582 
1 1 1 2  40 16 o 14.988  5.0745 -4.0958  3.0164  15.591  7.4536 14.385  6.8880 1.206140       10.14891 
1 1 1 2  40 18 o 25.884  6.5788 9.1616   2.7805  32.405  10.778 19.364  7.5475 13.04100       13.15768 
1 1 1 2  40 20 o 22.904  6.4772 7.7936   3.0184  26.267  10.190 19.541  7.9994 6.725723       12.95439 
1 1 1 2  41 1  o 17.785  5.4903 0.6058   2.7322  15.853  7.4231 19.717  8.0914 -3.863664      10.98053 
1 1 1 2  41 3  o 19.594  5.8085 3.1925   2.7103  19.439  8.1045 19.749  8.3230 -0.3097553     11.61700 
1 1 1 2  41 5  o 22.128  6.1224 5.6952   2.7595  22.964  8.9957 21.291  8.3073 1.673122       12.24473 
1 1 1 2  41 7  o 43.806  4.5441 22.220   2.8094  42.202  6.6570 45.409  6.1869 -3.206699      9.088143 
1 1 1 2  41 9  o 17.537  5.5865 0.7134   2.5100  21.703  9.3210 13.371  6.1605 8.332527       11.17290 
1 1 1 2  41 11 o 56.970  4.5744 38.744   3.6378  57.190  7.0338 56.751  5.8505 0.4387398      9.148891 
1 1 1 2  41 13 o 61.278  3.4730 42.567   2.7825  56.984  5.9386 65.571  3.6029 -8.587238      6.946095 
1 1 1 2  41 15 o 32.764  5.4966 15.378   2.5480  26.002  9.7019 39.525  5.1694 -13.52359      10.99315 
1 1 1 2  41 17 o 29.179  6.2113 13.278   2.8483  26.204  9.7899 32.153  7.6472 -5.949352      12.42266 
1 1 1 2  42 0  o 11.132  7.5593 -0.7662  4.8526  11.132  7.5593 ?       ?      0.000000       0.000000 
1 1 1 2  42 2  o 28.131  5.3520 10.727   2.4196  21.076  8.2876 35.186  6.7745 -14.11018      10.70409 
1 1 1 2  42 4  o 26.598  6.0873 10.151   2.6502  24.797  9.3135 28.399  7.8410 -3.601542      12.17463 
1 1 1 2  42 6  o 24.463  6.1515 8.5195   2.6270  26.571  9.3117 22.355  8.0409 4.216429       12.30302 
1 1 1 2  42 8  o 19.751  5.8295 4.0348   2.8053  18.638  8.6073 20.864  7.8643 -2.225597      11.65898 
1 1 1 2  42 10 o 22.658  6.0043 7.4583   2.6574  21.134  8.6756 24.182  8.3032 -3.048515      12.00870 
1 1 1 2  42 12 o 27.396  5.8851 11.429   2.6450  23.332  9.4082 31.461  7.0727 -8.129559      11.77022 
1 1 1 3  1  0  o 297.382 3.1140 884.712  18.517  297.382 3.1140 ?       ?      0.000000       0.000000 
1 1 1 3  1  4  o 323.826 2.0913 1048.70  9.5771  322.712 2.9481 324.940 2.9671 -2.227661      4.182698 
1 1 1 3  1  6  o 247.815 3.0992 615.172  10.489  249.083 3.6657 246.546 4.9983 2.537216       6.198416 
1 1 1 3  1  8  o 730.340 4.7259 5343.46  48.484  722.247 7.1343 738.433 6.1997 -16.18652      9.451715 
1 1 1 3  1  10 o 458.813 2.9472 2105.18  19.121  453.178 4.1705 464.449 4.1655 -11.27045      5.894446 
1 1 1 3  1  12 o 939.536 5.8590 8822.29  77.260  928.451 7.7161 950.620 8.8191 -22.16821      11.71810 
1 1 1 3  1  14 o 167.966 1.4180 281.974  3.3154  167.454 1.7921 168.477 2.1981 -1.022964      2.836087 
1 1 1 3  1  16 o 686.287 4.2365 4701.12  39.775  680.715 5.0652 691.860 6.7924 -11.14532      8.473046 
1 1 1 3  1  18 o 85.740  1.2738 75.538   1.3992  90.544  1.2693 80.936  2.2089 9.607834       2.547647 
1 1 1 3  1  20 o 225.030 1.8352 505.243  5.8282  233.995 2.6196 216.064 2.5710 17.93076       3.670433 
1 1 1 3  1  22 o 207.129 1.5698 428.379  4.4847  205.867 1.9230 208.390 2.4818 -2.523254      3.139619 
1 1 1 3  1  24 o 121.299 1.2948 147.596  2.1802  123.010 1.6091 119.587 2.0289 3.423645       2.589543 
1 1 1 3  1  26 o 116.818 1.5141 136.895  2.4902  123.213 2.0210 110.423 2.2551 12.79001       3.028220 
1 1 1 3  1  28 o 358.128 2.4116 1282.62  12.049  357.124 3.0752 359.133 3.7158 -2.009491      4.823298 
1 1 1 3  1  30 o 90.850  2.5694 82.037   2.5327  90.108  1.9841 91.591  4.7404 -1.483437      5.138899 
1 1 1 3  1  32 o 235.448 2.0906 555.696  6.5933  236.435 2.3495 234.460 3.4586 1.974228       4.181130 
1 1 1 3  1  34 o 201.153 1.8540 404.876  5.0610  201.083 2.1592 201.224 3.0145 -0.1403503     3.707988 
1 1 1 3  1  36 o 111.632 1.4743 124.540  2.2348  111.215 1.7224 112.049 2.3934 -0.8341522     2.948669 
1 1 1 3  1  38 o 57.344  2.0489 33.611   1.5324  59.980  2.1290 54.708  3.5013 5.271797       4.097809 
1 1 1 3  1  40 o 76.240  1.8159 58.359   1.8389  76.685  1.9983 75.795  3.0327 0.8898087      3.631840 
1 1 1 3  1  42 o 11.363  3.7467 -2.6817  1.4575  10.685  5.0053 12.041  5.5767 -1.355802      7.493457 
1 1 1 3  1  44 o 44.044  2.6946 19.612   1.6380  44.804  3.2778 43.285  4.2778 1.518620       5.389202 
1 1 1 3  1  46 o 65.446  2.3029 43.546   2.0993  68.698  2.8812 62.194  3.5932 6.504261       4.605744 
1 1 1 3  1  48 o 60.609  2.1310 37.228   1.8147  61.699  2.7942 59.520  3.2183 2.178726       4.262007 
1 1 1 3  1  50 o 39.151  3.6291 15.742   1.9256  36.247  4.4038 42.054  5.7695 -5.807308      7.258124 
1 1 1 3  1  52 o 29.570  4.7386 9.5524   1.7585  26.249  5.2938 32.890  7.8609 -6.640514      9.477233 
1 1 1 3  1  54 o 36.326  3.9999 14.478   1.7962  35.428  3.9649 37.223  6.9481 -1.795021      7.999767 
1 1 1 3  1  56 o 16.908  5.4150 1.3547   2.3819  15.279  6.4166 18.538  8.7244 -3.259374      10.82996 
1 1 1 3  2  1  o 840.949 13.712 7088.81  230.628 ?       ?      840.949 13.712 ?              ?        
1 1 1 3  2  3  o 833.829 8.2556 6966.04  93.462  834.998 9.6197 832.660 13.419 2.338074       16.51118 
1 1 1 3  2  5  f 926.813 15.763 8609.72  292.180 926.813 15.763 ?       ?      ?              ?        
1 1 1 3  2  7  o 950.708 11.102 9047.35  211.090 950.708 11.102 ?       ?      ?              ?        
1 1 1 3  2  9  o 115.433 1.9090 133.249  3.0569  115.406 2.3791 115.460 2.9863 -0.5365753E-01 3.818068 
1 1 1 3  2  11 o 483.757 3.0657 2339.97  20.964  478.764 4.2810 488.749 4.3895 -9.985657      6.131482 
1 1 1 3  2  13 o 239.756 1.7896 574.612  5.9594  239.200 2.2422 240.312 2.7898 -1.111450      3.579218 
1 1 1 3  2  15 o 222.161 1.8273 496.561  5.5380  226.534 2.1421 217.788 2.9611 8.746414       3.654692 
1 1 1 3  2  17 o 144.700 1.2823 208.869  2.5930  142.715 1.6554 146.685 1.9588 -3.970230      2.564594 
1 1 1 3  2  19 o 798.175 4.9288 6361.87  54.108  792.517 5.9861 803.834 7.8320 -11.31696      9.857698 
1 1 1 3  2  21 o 321.953 2.2021 1037.01  9.7389  322.336 2.6544 321.570 3.5145 0.7652893      4.404230 
1 1 1 3  2  23 o 280.992 1.9772 788.848  7.6385  279.907 2.3952 282.076 3.1464 -2.169128      3.954322 
1 1 1 3  2  25 o 137.742 1.3996 189.995  2.6952  138.763 1.7945 136.721 2.1483 2.042557       2.799182 
1 1 1 3  2  27 o 178.366 1.5546 317.308  3.7234  177.013 1.7675 179.719 2.5580 -2.706680      3.109243 
1 1 1 3  2  29 o 323.325 2.9420 1047.37  13.249  321.929 4.5618 324.720 3.7163 -2.791229      5.883946 
1 1 1 3  2  31 o 212.991 1.9824 452.661  5.5491  211.643 2.1420 214.339 3.3364 -2.696533      3.964823 
1 1 1 3  2  33 o 91.914  1.3785 84.638   1.7855  93.444  1.8449 90.385  2.0486 3.059067       2.756933 
1 1 1 3  2  35 o 236.865 1.9815 560.036  6.4179  234.652 2.3673 239.078 3.1781 -4.425919      3.962918 
1 1 1 3  2  37 o 38.768  2.3387 15.101   1.2738  39.595  3.0639 37.940  3.5341 1.655346       4.677348 
1 1 1 3  2  39 o 58.311  1.9734 33.961   1.6226  56.346  2.7197 60.276  2.8601 -3.930779      3.946736 
1 1 1 3  2  41 o 106.395 1.5456 113.629  2.2543  107.200 1.8464 105.591 2.4793 1.609566       3.091280 
1 1 1 3  2  43 o 131.133 1.5809 173.339  2.8880  135.198 1.9836 127.068 2.4622 8.129349       3.161782 
1 1 1 3  2  45 o 51.709  2.6086 27.138   1.8571  52.817  3.1431 50.601  4.1640 2.215881       5.217137 
1 1 1 3  2  47 o 53.944  2.3064 29.462   1.7553  55.316  3.1166 52.572  3.4007 2.743683       4.612749 
1 1 1 3  2  49 o 25.123  4.5188 7.1316   1.6208  27.960  5.2180 22.286  7.3790 5.673573       9.037573 
1 1 1 3  2  51 o 19.266  5.4045 2.8946   2.0432  18.481  6.5735 20.051  8.5805 -1.569506      10.80909 
1 1 1 3  2  53 o 45.914  3.5329 22.275   2.0523  44.703  3.5708 47.125  6.0972 -2.421661      7.065827 
1 1 1 3  2  55 o 29.718  5.9211 11.775   2.2107  31.952  4.5961 27.484  10.914 4.467697       11.84221 
1 1 1 3  3  0  o 630.864 7.6743 3982.99  96.797  630.864 7.6743 ?       ?      0.000000       0.000000 
1 1 1 3  3  2  o 948.517 15.180 9019.13  287.966 ?       ?      948.517 15.180 ?              ?        
1 1 1 3  3  4  o 343.275 2.2228 1178.14  10.785  340.728 3.0920 345.823 3.1942 -5.095001      4.445580 
1 1 1 3  3  6  o 324.951 2.2758 1056.20  10.117  325.142 2.7100 324.761 3.6569 0.3812256      4.551601 
1 1 1 3  3  8  o 814.870 6.2368 6634.21  70.479  809.482 7.7853 820.258 9.7458 -10.77612      12.47362 
1 1 1 3  3  10 o 303.626 2.0666 920.801  8.8587  309.418 2.9922 297.834 2.8513 11.58438       4.133150 
1 1 1 3  3  12 o 447.000 3.1261 1994.80  19.590  452.786 4.7241 441.214 4.0954 11.57138       6.252157 
1 1 1 3  3  14 o 151.496 1.2403 229.762  2.6402  152.698 1.6308 150.294 1.8693 2.403793       2.480659 
1 1 1 3  3  16 o 450.427 2.8966 2019.17  17.894  442.647 3.5052 458.208 4.6124 -15.56110      5.793178 
1 1 1 3  3  18 o 969.252 5.7203 9398.04  76.624  967.895 7.0388 970.609 9.0190 -2.714233      11.44058 
1 1 1 3  3  20 o 466.811 2.9724 2179.36  19.172  466.619 3.6535 467.004 4.6896 -0.3856506     5.944813 
1 1 1 3  3  22 o 243.504 1.8165 589.791  6.0033  239.550 2.1323 247.459 2.9415 -7.908951      3.633073 
1 1 1 3  3  24 o 296.441 2.0756 876.669  8.5074  293.285 2.5690 299.598 3.2607 -6.313812      4.151138 
1 1 1 3  3  26 o 229.863 1.7443 528.429  5.5144  229.773 2.1119 229.953 2.7767 -0.1804962     3.488572 
1 1 1 3  3  28 o 241.810 1.8470 584.487  6.1296  241.175 2.2239 242.445 2.9496 -1.269516      3.694053 
1 1 1 3  3  30 o 63.487  2.3081 37.894   1.8585  56.263  2.4967 70.712  3.8828 -14.44924      4.616197 
1 1 1 3  3  32 o 332.118 2.4665 1104.99  11.321  332.870 3.0307 331.366 3.8923 1.504303       4.933087 
1 1 1 3  3  34 o 172.025 1.7182 296.658  4.0092  172.971 1.9933 171.078 2.7992 1.893585       3.436404 
1 1 1 3  3  36 o 46.822  2.3557 22.050   1.4898  47.381  2.6952 46.263  3.8645 1.117702       4.711497 
1 1 1 3  3  38 o 39.074  2.6800 15.477   1.3792  40.077  2.8677 38.071  4.5283 2.006214       5.359941 
1 1 1 3  3  40 o 127.693 1.4877 163.360  2.6756  128.475 1.9879 126.910 2.2137 1.565338       2.975301 
1 1 1 3  3  42 o 32.681  3.3929 10.802   1.5637  33.566  4.5653 31.795  5.0204 1.771173       6.785770 
1 1 1 3  3  44 o 39.316  2.8147 15.582   1.5637  39.484  3.8811 39.147  4.0776 0.3374786      5.629350 
1 1 1 3  3  46 o 23.420  5.2457 5.5076   1.8125  22.188  6.1311 24.651  8.5136 -2.462976      10.49147 
1 1 1 3  3  48 o 22.869  5.2323 5.3964   1.8475  22.524  6.2846 23.214  8.3673 -0.6902294     10.46461 
1 1 1 3  3  50 o 37.363  4.2926 15.981   1.7734  41.370  3.2411 33.355  7.9500 8.015522       8.585274 
1 1 1 3  3  52 o 48.752  4.0641 26.224   2.1337  51.006  3.0044 46.498  7.5525 4.507801       8.128124 
1 1 1 3  3  54 o 17.044  5.2371 1.4519   2.0992  15.067  6.3082 19.021  8.3615 -3.953320      10.47414 
1 1 1 3  3  56 o 24.052  4.7268 7.5229   2.1004  31.817  6.0382 16.287  7.2739 15.53016       9.453596 
1 1 1 3  4  1  o 421.912 2.6484 1779.29  15.788  427.033 3.8128 416.791 3.6767 10.24203       5.296740 
1 1 1 3  4  3  o 489.436 3.3328 2400.54  22.915  496.871 4.3692 482.001 5.0338 14.86978       6.665531 
1 1 1 3  4  5  o 260.757 1.7936 680.397  6.6084  255.419 2.5998 266.095 2.4715 -10.67627      3.587130 
1 1 1 3  4  7  o 770.930 5.2472 5944.61  57.196  780.432 7.4451 761.427 7.3961 19.00519       10.49438 
1 1 1 3  4  9  o 258.434 1.9674 667.830  7.1660  258.003 2.6480 258.865 2.9105 -0.8625183     3.934882 
1 1 1 3  4  11 o 559.746 3.5368 3141.99  27.464  565.788 4.3900 553.703 5.5467 12.08472       7.073694 
1 1 1 3  4  13 o 696.089 4.5076 4850.15  43.807  696.156 5.7599 696.022 6.9353 0.1342163      9.015244 
1 1 1 3  4  15 o 242.757 1.8406 586.264  6.0691  238.883 2.1650 246.632 2.9772 -7.749359      3.681206 
1 1 1 3  4  17 o 121.760 1.2289 148.284  2.0897  121.866 1.5718 121.655 1.8895 0.2105179      2.457779 
1 1 1 3  4  19 o 499.108 5.1005 2500.42  34.333  503.616 5.8194 494.600 8.3783 9.016144       10.20101 
1 1 1 3  4  21 o 560.232 3.4461 3148.24  26.858  567.682 4.3191 552.782 5.3711 14.90033       6.892245 
1 1 1 3  4  23 o 93.695  1.3367 87.851   1.7274  93.934  1.6314 93.455  2.1180 0.4789047      2.673429 
1 1 1 3  4  25 o 97.496  1.3065 95.511   1.7787  100.182 1.6571 94.810  2.0204 5.371803       2.613025 
1 1 1 3  4  27 o 325.265 2.6422 1048.73  11.001  319.391 2.7188 331.139 4.5313 -11.74832      5.284372 
1 1 1 3  4  29 o 195.185 1.9195 380.686  5.2927  189.823 2.6909 200.546 2.7381 -10.72301      3.839053 
1 1 1 3  4  31 o 154.554 1.6750 239.175  3.5056  154.918 1.9371 154.190 2.7331 0.7282257      3.349962 
1 1 1 3  4  33 o 116.224 1.4718 135.903  2.3735  119.306 1.8196 113.143 2.3138 6.162392       2.943560 
1 1 1 3  4  35 o 99.384  1.5127 98.589   2.0587  98.558  1.8140 100.210 2.4212 -1.651878      3.025374 
1 1 1 3  4  37 o 52.758  2.3460 28.545   1.6625  56.464  2.6009 49.052  3.9051 7.411667       4.691932 
1 1 1 3  4  39 f 215.327 1.9390 464.335  5.7151  215.202 2.3143 215.452 3.1117 -0.2495880     3.877982 
1 1 1 3  4  41 o 98.307  1.9325 96.076   2.2412  97.158  1.7087 99.456  3.4668 -2.297905      3.864975 
1 1 1 3  4  43 o 22.507  4.3487 5.3478   1.4542  25.744  4.6333 19.270  7.3606 6.473900       8.697458 
1 1 1 3  4  45 o 43.091  3.6961 18.612   1.9437  42.093  3.4888 44.089  6.5170 -1.995182      7.392141 
1 1 1 3  4  47 o 36.999  4.2242 13.933   1.9136  35.227  4.1689 38.771  7.3482 -3.543755      8.448382 
1 1 1 3  4  49 o 18.588  5.4600 1.8849   2.2067  17.361  6.8147 19.814  8.5328 -2.452843      10.92006 
1 1 1 3  4  51 o 16.167  4.8183 -0.9351  1.8125  9.5700  4.6482 22.764  8.4414 -13.19361      9.636572 
1 1 1 3  4  53 o 19.091  5.2393 3.3729   1.8648  15.453  6.2116 22.730  8.4389 -7.277747      10.47851 
1 1 1 3  4  55 o 16.747  4.7752 1.5362   1.9437  18.753  6.4578 14.741  7.0362 4.012116       9.550463 
1 1 1 3  5  2  o 759.275 4.5549 5766.96  48.909  758.695 6.4381 759.855 6.4451 -1.159729      9.109791 
1 1 1 3  5  4  o 315.106 2.1643 991.885  9.6144  318.833 3.1842 311.379 2.9323 7.454376       4.328683 
1 1 1 3  5  6  o 198.676 1.7725 394.566  4.9771  200.845 2.5433 196.507 2.4695 4.338104       3.544920 
1 1 1 3  5  8  o 672.299 4.0091 4520.23  38.108  663.243 5.6511 681.356 5.6883 -18.11292      8.018142 
1 1 1 3  5  10 o 290.045 2.0976 844.853  8.4369  295.465 2.5932 284.625 3.2977 10.83920       4.195168 
1 1 1 3  5  12 o 494.935 3.2119 2443.05  21.750  489.765 3.8459 500.105 5.1453 -10.34058      6.423760 
1 1 1 3  5  14 o 276.015 1.9646 763.370  7.5819  279.014 2.5173 273.016 3.0169 5.998474       3.929194 
1 1 1 3  5  16 o 761.972 5.1930 5803.79  50.452  760.600 5.2551 763.344 8.9585 -2.743530      10.38606 
1 1 1 3  5  18 o 758.450 5.2086 5776.77  50.851  764.076 5.3482 752.824 8.9395 11.25159       10.41715 
1 1 1 3  5  20 o 386.710 2.7831 1510.17  14.185  395.509 2.9866 377.911 4.6970 17.59842       5.566107 
1 1 1 3  5  22 o 651.876 4.4577 4202.13  36.378  638.349 4.4011 665.402 7.7534 -27.05237      8.915401 
1 1 1 3  5  24 o 210.963 1.9040 446.178  5.1318  211.913 1.9284 210.013 3.2835 1.900116       3.807911 
1 1 1 3  5  26 o 201.313 1.8600 405.556  4.6326  201.472 1.7748 201.155 3.2694 0.3165894      3.720057 
1 1 1 3  5  28 o 56.431  1.9106 32.096   1.2770  57.060  1.6785 55.802  3.4327 1.258472       3.821120 
1 1 1 3  5  30 o 126.914 1.7818 159.256  2.8200  124.341 1.7459 129.487 3.1066 -5.145531      3.563557 
1 1 1 3  5  32 o 136.293 1.6987 185.747  2.9255  136.150 1.6883 136.437 2.9483 -0.2870331     3.397482 
1 1 1 3  5  34 o 50.514  2.0400 26.057   1.3583  52.988  2.1690 48.041  3.4557 4.947643       4.079956 
1 1 1 3  5  36 o 35.755  3.0527 12.738   1.4898  34.971  3.6516 36.538  4.8930 -1.567436      6.105376 
1 1 1 3  5  38 o 85.996  1.5767 74.789   1.8571  89.235  1.8604 82.756  2.5461 6.479530       3.153371 
1 1 1 3  5  40 o 10.334  3.5170 -3.7200  1.3686  9.2045  4.3676 11.463  5.5138 -2.258849      7.034050 
1 1 1 3  5  42 o 72.626  1.9779 52.975   1.8784  72.813  2.1046 72.440  3.3494 0.3736191      3.955749 
1 1 1 3  5  44 o 14.209  4.4560 -1.0982  1.6857  11.662  5.3325 16.755  7.1406 -5.092657      8.911971 
1 1 1 3  5  46 o 25.334  4.6368 6.8718   1.6192  25.706  5.3889 24.962  7.5471 0.7441177      9.273594 
1 1 1 3  5  48 o 15.990  4.6534 0.5534   1.7027  16.499  5.9875 15.481  7.1252 1.018179       9.306894 
1 1 1 3  5  50 o 22.359  5.7316 4.6864   2.0117  16.931  6.3765 27.787  9.5260 -10.85602      11.46321 
1 1 1 3  5  52 o 33.944  4.1852 13.096   1.7438  36.539  3.8444 31.348  7.4353 5.190605       8.370415 
1 1 1 3  5  54 o 20.870  5.0889 5.2313   1.8318  21.706  6.8517 20.034  7.5260 1.672777       10.17776 
1 1 1 3  5  56 o 12.957  4.3659 -2.7409  2.1246  12.103  5.6921 13.810  6.6216 -1.707212      8.731898 
1 1 1 3  6  1  f 994.439 7.2201 9904.70  96.929  996.725 8.2830 992.153 11.829 4.571533       14.44029 
1 1 1 3  6  3  o 493.357 3.1296 2433.07  21.825  483.076 4.4146 503.638 4.4373 -20.56125      6.259249 
1 1 1 3  6  5  o 1048.71 10.820 10996.89 151.043 1043.51 12.030 1053.91 17.988 -10.39490      21.63940 
1 1 1 3  6  7  o 617.988 3.8201 3814.67  33.323  604.917 5.2671 631.059 5.5345 -26.14154      7.640225 
1 1 1 3  6  9  o 312.753 2.1436 977.427  9.4688  317.416 3.0978 308.089 2.9636 9.326447       4.287138 
1 1 1 3  6  11 o 369.126 2.4904 1361.38  12.952  373.203 3.6784 365.049 3.3583 8.153137       4.980805 
1 1 1 3  6  13 o 618.307 3.9731 3822.77  33.900  616.439 4.8682 620.176 6.2803 -3.737244      7.946170 
1 1 1 3  6  15 f 401.168 2.8019 1609.54  15.805  400.918 3.7108 401.417 4.1993 -0.4996033     5.603886 
1 1 1 3  6  17 o 292.434 2.2571 857.950  8.8732  294.951 2.5544 289.918 3.7220 5.033417       4.514247 
1 1 1 3  6  19 o 529.833 3.8553 2804.01  27.759  527.401 4.5158 532.266 6.2499 -4.865479      7.710606 
1 1 1 3  6  21 o 266.513 2.0632 713.540  7.1101  268.954 2.1366 264.073 3.5302 4.881927       4.126394 
1 1 1 3  6  23 o 299.007 2.4863 887.774  9.7559  294.108 2.6920 303.905 4.1810 -9.797180      4.972692 
1 1 1 3  6  25 o 368.302 2.7489 1350.70  12.883  365.008 2.7814 371.596 4.7424 -6.588287      5.497886 
1 1 1 3  6  27 o 237.025 1.9808 565.505  6.1429  240.304 2.0991 233.745 3.3599 6.558502       3.961699 
1 1 1 3  6  29 o 34.558  3.3285 11.554   1.4328  32.543  3.3354 36.573  5.7612 -4.030247      6.657069 
1 1 1 3  6  31 o 196.685 1.9592 383.593  4.8031  193.595 1.9129 199.775 3.4198 -6.179947      3.918500 
1 1 1 3  6  33 o 77.210  1.6075 60.945   1.6432  81.476  1.7241 72.944  2.7135 8.531700       3.214932 
1 1 1 3  6  35 o 139.463 1.7133 193.685  2.9747  138.282 1.6623 140.643 2.9963 -2.361313      3.426529 
1 1 1 3  6  37 o 43.550  2.4158 18.805   1.3992  42.400  2.7106 44.699  3.9996 -2.299637      4.831624 
1 1 1 3  6  39 o 226.042 2.0393 509.943  5.9679  224.234 2.1356 227.849 3.4749 -3.615616      4.078672 
1 1 1 3  6  41 o 160.449 1.8186 255.317  3.7297  157.211 1.8683 163.687 3.1206 -6.475952      3.637126 
1 1 1 3  6  43 o 111.390 1.7754 125.734  2.6051  114.202 1.9009 108.578 2.9991 5.624420       3.550813 
1 1 1 3  6  45 o 52.040  2.6276 27.882   1.8701  56.193  3.0679 47.887  4.2668 8.306374       5.255218 
1 1 1 3  6  47 o 25.541  4.3726 7.1262   1.5224  28.284  4.2892 22.797  7.6210 5.487053       8.745122 
1 1 1 3  6  49 o 24.533  4.8735 6.8219   1.7744  26.530  5.9271 22.537  7.7377 3.992773       9.746917 
1 1 1 3  6  51 o 26.270  5.2071 8.2709   2.0358  29.530  5.6083 23.010  8.7750 6.520042       10.41414 
1 1 1 3  6  53 o 16.400  4.9980 1.1984   1.9646  14.246  6.1467 18.553  7.8828 -4.307130      9.995993 
1 1 1 3  6  55 o 14.418  4.6756 -0.5224  2.0123  12.440  5.7331 16.397  7.3877 -3.956703      9.351235 
1 1 1 3  7  0  o 644.406 5.4009 4153.98  69.597  644.406 5.4009 ?       ?      0.000000       0.000000 
1 1 1 3  7  2  o 547.736 3.4541 3000.74  26.748  547.996 4.9519 547.475 4.8167 0.5212402      6.908134 
1 1 1 3  7  4  o 349.706 2.3755 1222.89  11.745  351.732 3.3946 347.679 3.3240 4.052063       4.751076 
1 1 1 3  7  6  o 403.585 2.6621 1627.15  15.170  410.962 3.8531 396.208 3.6743 14.75455       5.324203 
1 1 1 3  7  8  o 197.617 1.5431 390.682  4.3078  196.373 2.2435 198.861 2.1191 -2.488617      3.086117 
1 1 1 3  7  10 o 858.492 5.0895 7376.46  61.710  862.547 7.3951 854.437 6.9945 8.109375       10.17899 
1 1 1 3  7  12 o 329.649 2.2477 1087.34  10.465  327.439 3.2760 331.859 3.0784 -4.419983      4.495436 
1 1 1 3  7  14 o 1286.65 20.649 16646.20 531.364 1286.65 20.649 ?       ?      ?              ?        
1 1 1 3  7  16 o 923.916 5.5150 8565.66  71.018  937.313 6.9619 910.519 8.5553 26.79437       11.03003 
1 1 1 3  7  18 o 758.760 5.2928 5760.58  50.199  758.789 5.1498 758.732 9.2485 0.5755615E-01  10.58568 
1 1 1 3  7  20 o 222.693 1.8976 497.961  5.9134  228.443 2.4317 216.942 2.9138 11.50089       3.795142 
1 1 1 3  7  22 o 453.812 3.2245 2064.15  18.812  455.476 3.3083 452.147 5.5357 3.329346       6.448939 
1 1 1 3  7  24 o 641.274 4.4240 4085.38  35.783  632.293 4.4129 650.255 7.6689 -17.96265      8.847906 
1 1 1 3  7  26 o 132.702 1.4752 176.963  2.6291  134.415 1.6626 130.989 2.4372 3.425552       2.950316 
1 1 1 3  7  28 o 298.308 2.6229 883.858  10.461  292.487 2.9689 304.130 4.3249 -11.64355      5.245836 
1 1 1 3  7  30 f 155.544 2.3262 241.173  4.0728  154.754 1.8979 156.335 4.2476 -1.580185      4.652325 
1 1 1 3  7  32 o 65.947  1.5851 43.124   1.4241  64.113  1.8922 67.781  2.5434 -3.667656      3.170110 
1 1 1 3  7  34 o 32.086  2.9356 10.548   1.2259  33.692  3.0322 30.480  5.0276 3.211416       5.871172 
1 1 1 3  7  36 o 74.051  1.8219 55.178   1.6579  74.681  1.7099 73.421  3.2177 1.260376       3.643840 
1 1 1 3  7  38 o 32.416  3.6258 11.070   1.4659  34.786  3.4875 30.046  6.3580 4.739843       7.251648 
1 1 1 3  7  40 o 40.445  2.9554 16.694   1.5524  41.758  3.0581 39.131  5.0582 2.626320       5.910836 
1 1 1 3  7  42 o 59.845  1.9777 35.999   1.6380  60.244  2.4377 59.447  3.1148 0.7969818      3.955318 
1 1 1 3  7  44 o 14.355  4.1506 -1.1643  1.6125  17.886  6.4278 10.823  5.2529 7.062795       8.301161 
1 1 1 3  7  46 o 14.309  4.4328 -1.0657  1.7507  12.038  5.6183 16.580  6.8580 -4.541362      8.865524 
1 1 1 3  7  48 o 17.433  4.9542 1.6103   1.8181  13.964  6.0237 20.903  7.8672 -6.938826      9.908493 
1 1 1 3  7  50 o 60.017  2.4259 36.814   1.9933  59.102  2.9169 60.933  3.8772 -1.830246      4.851894 
1 1 1 3  7  52 o 17.708  5.1768 2.0301   2.1240  18.181  7.0776 17.234  7.5567 0.9473209      10.35358 
1 1 1 3  7  54 o 12.750  4.2521 -2.2212  1.8590  11.339  5.3187 14.162  6.6357 -2.822736      8.504179 
1 1 1 3  8  1  o 550.326 3.5481 3028.05  27.596  544.250 4.9391 556.401 5.0952 -12.15063      7.096160 
1 1 1 3  8  3  o 555.407 3.5116 3083.46  27.550  548.125 4.8576 562.690 5.0723 -14.56500      7.023114 
1 1 1 3  8  5  o 458.700 3.2659 2103.32  21.101  455.764 4.3850 461.635 4.8410 -5.871399      6.531704 
1 1 1 3  8  7  o 854.723 5.2320 7309.78  63.199  863.384 7.5211 846.062 7.2751 17.32166       10.46393 
1 1 1 3  8  9  o 555.898 3.4239 3092.21  26.910  553.775 4.9118 558.020 4.7714 -4.244812      6.847804 
1 1 1 3  8  11 o 281.095 1.9612 786.863  7.7144  288.189 2.9689 274.001 2.5633 14.18707       3.922354 
1 1 1 3  8  13 o 496.736 3.7446 2475.33  25.399  501.402 4.4188 492.070 6.0468 9.332489       7.489285 
1 1 1 3  8  15 o 535.631 3.3422 2869.25  25.308  538.466 4.7906 532.797 4.6618 5.669067       6.684442 
1 1 1 3  8  17 o 509.441 3.3001 2595.62  23.219  509.188 4.0503 509.694 5.2113 -0.5065918     6.600216 
1 1 1 3  8  19 o 556.369 3.9926 3104.90  27.885  558.982 3.9065 553.756 6.9644 5.225647       7.985212 
1 1 1 3  8  21 o 276.337 2.3117 766.918  8.0409  278.398 2.2706 274.276 4.0274 4.122345       4.623330 
1 1 1 3  8  23 o 341.934 2.6512 1170.88  11.531  342.608 2.6650 341.260 4.5840 1.348480       5.302404 
1 1 1 3  8  25 o 180.147 1.6839 323.981  3.9480  179.413 1.7794 180.881 2.8593 -1.468506      3.367759 
1 1 1 3  8  27 o 180.004 1.7005 322.277  3.9345  177.980 1.7579 182.029 2.9114 -4.049194      3.400939 
1 1 1 3  8  29 o 64.328  1.7570 41.140   1.5733  62.396  2.2513 66.259  2.6982 -3.863270      3.514058 
1 1 1 3  8  31 o 141.564 1.7649 199.223  3.0359  140.125 1.6404 143.004 3.1255 -2.878815      3.529794 
1 1 1 3  8  33 o 103.944 1.7483 109.803  2.4099  108.012 1.8917 99.876  2.9408 8.135643       3.496633 
1 1 1 3  8  35 o 87.259  1.7731 75.696   1.9136  86.262  1.7024 88.256  3.1109 -1.993690      3.546296 
1 1 1 3  8  37 o 61.295  2.2925 38.187   1.7272  62.787  2.1356 59.802  4.0573 2.985542       4.584975 
1 1 1 3  8  39 o 150.426 1.6873 226.922  3.2663  150.826 1.7357 150.026 2.8940 0.7994843      3.374631 
1 1 1 3  8  41 o 66.542  2.0195 44.651   1.7724  67.356  2.1803 65.728  3.4000 1.627525       4.039022 
1 1 1 3  8  43 o 30.679  3.8517 9.7053   1.6226  26.932  5.8536 34.425  5.0078 -7.493303      7.703417 
1 1 1 3  8  45 o 60.972  2.1856 37.888   1.8318  63.744  2.6044 58.200  3.5107 5.543343       4.371203 
1 1 1 3  8  47 o 89.331  1.9764 81.478   2.3440  92.022  2.1510 86.640  3.3163 5.382126       3.952813 
1 1 1 3  8  49 o 50.271  2.8215 26.205   1.9464  51.180  3.3684 49.362  4.5273 1.818661       5.642946 
1 1 1 3  8  51 f 26.247  4.8674 8.3170   1.9279  31.036  5.5494 21.458  7.9981 9.577406       9.734703 
1 1 1 3  8  53 o 23.005  5.4409 6.3270   2.0587  19.427  7.0811 26.582  8.2626 -7.154392      10.88176 
1 1 1 3  8  55 o 18.065  5.1573 3.5324   2.0746  19.531  7.4732 16.599  7.1093 2.932495       10.31461 
1 1 1 3  9  0  o 460.223 4.3573 2118.94  40.098  460.223 4.3573 ?       ?      0.000000       0.000000 
1 1 1 3  9  2  o 452.666 3.0819 2049.39  19.726  448.119 4.3458 457.213 4.3711 -9.094330      6.163802 
1 1 1 3  9  4  o 303.338 2.1359 920.010  9.1571  301.108 2.9687 305.568 3.0717 -4.459961      4.271822 
1 1 1 3  9  6  o 141.975 1.5418 203.040  3.0529  148.069 1.9405 135.880 2.3965 12.18945       3.083627 
1 1 1 3  9  8  o 146.355 1.3751 214.236  2.8324  146.245 2.0520 146.465 1.8310 -0.2196808     2.750125 
1 1 1 3  9  10 o 398.843 2.6382 1591.21  14.870  398.881 3.8098 398.806 3.6504 0.7507324E-01  5.276320 
1 1 1 3  9  12 o 296.199 2.0350 877.439  8.5239  293.601 2.8924 298.796 2.8635 -5.194916      4.070067 
1 1 1 3  9  14 o 145.742 1.9869 212.661  3.9819  145.149 3.1672 146.335 2.3998 -1.186325      3.973736 
1 1 1 3  9  16 o 170.797 1.3880 291.755  3.3518  170.105 1.9894 171.488 1.9361 -1.383347      2.776022 
1 1 1 3  9  18 o 657.558 3.9825 4325.90  37.033  652.627 5.6549 662.490 5.6093 -9.863464      7.965065 
1 1 1 3  9  20 o 233.513 1.9947 535.878  5.9533  225.717 2.0650 241.309 3.4133 -15.59256      3.989379 
1 1 1 3  9  22 o 249.257 2.1114 624.335  6.7222  251.503 2.1326 247.011 3.6447 4.491455       4.222785 
1 1 1 3  9  24 o 288.261 2.3212 826.864  8.5542  285.313 2.3722 291.208 3.9905 -5.895538      4.642375 
1 1 1 3  9  26 o 141.567 1.5893 198.226  2.8568  138.623 1.6121 144.510 2.7394 -5.887772      3.178566 
1 1 1 3  9  28 o 280.058 2.3127 784.118  8.2799  279.522 2.3528 280.595 3.9822 -1.073212      4.625316 
1 1 1 3  9  30 o 71.611  1.8181 52.381   1.6578  74.519  1.7993 68.703  3.1599 5.816719       3.636269 
1 1 1 3  9  32 o 216.540 2.0709 472.304  5.7778  219.359 2.1249 213.720 3.5552 5.638763       4.141809 
1 1 1 3  9  34 o 138.171 1.8051 191.665  3.1130  138.923 1.7465 137.420 3.1595 1.502884       3.610124 
1 1 1 3  9  36 o 209.572 2.0650 436.355  5.4740  206.459 2.0721 212.685 3.5725 -6.225601      4.129936 
1 1 1 3  9  38 o 139.112 1.6300 193.772  2.9710  139.130 1.7439 139.094 2.7543 0.3544617E-01  3.259948 
1 1 1 3  9  40 o 14.931  4.4453 0.4430   1.4177  12.050  5.1299 17.812  7.2612 -5.762132      8.890532 
1 1 1 3  9  42 o 45.122  2.4904 20.775   1.4659  46.658  2.6001 43.586  4.2483 3.071140       4.980797 
1 1 1 3  9  44 o 42.103  3.2591 18.750   1.7520  46.007  3.1920 38.200  5.6831 7.807259       6.518155 
1 1 1 3  9  46 o 15.255  4.7701 -0.5438  1.8475  13.109  5.7750 17.401  7.5938 -4.292615      9.540243 
1 1 1 3  9  48 o 35.013  4.3203 13.415   1.9933  36.338  4.7443 33.688  7.2215 2.649704       8.640511 
1 1 1 3  9  50 o 40.691  3.5534 16.952   1.9155  37.395  4.0979 43.987  5.8064 -6.591644      7.106813 
1 1 1 3  9  52 o 25.870  5.4263 8.0394   2.0013  24.138  6.4769 27.602  8.7079 -3.464624      10.85260 
1 1 1 3  9  54 o 16.026  4.7649 0.4109   2.0987  18.483  6.9191 13.569  6.5530 4.914502       9.529735 
1 1 1 3  10 1  o 543.876 3.4408 2959.05  26.461  547.676 4.8965 540.076 4.8354 7.600403       6.881659 
1 1 1 3  10 3  o 74.351  1.1299 55.419   1.1735  73.320  1.7417 75.382  1.4399 -2.061707      2.259849 
1 1 1 3  10 5  o 344.289 2.4130 1185.70  11.748  345.791 3.3976 342.786 3.4273 3.004364       4.825993 
1 1 1 3  10 7  o 439.378 2.8772 1931.24  17.877  437.694 4.0554 441.062 4.0824 -3.368805      5.754343 
1 1 1 3  10 9  o 138.792 1.5369 194.657  2.9412  144.889 1.8509 132.696 2.4540 12.19328       3.073753 
1 1 1 3  10 11 o 595.723 3.7338 3550.50  31.435  593.929 5.3968 597.517 5.1613 -3.587585      7.467548 
1 1 1 3  10 13 o 392.090 2.5971 1533.90  14.330  400.106 3.8460 384.073 3.4912 16.03217       5.194197 
1 1 1 3  10 15 o 324.356 2.2480 1052.19  10.312  324.661 3.1860 324.051 3.1723 0.6100159      4.496040 
1 1 1 3  10 17 o 147.790 1.3616 218.429  2.8324  147.812 2.0303 147.769 1.8148 0.4229736E-01  2.723138 
1 1 1 3  10 19 o 270.673 1.9435 732.654  7.4373  265.673 2.7638 275.674 2.7331 -10.00089      3.886969 
1 1 1 3  10 21 o 282.021 2.2109 801.207  8.0495  286.126 2.2762 277.915 3.7909 8.211884       4.421712 
1 1 1 3  10 23 o 220.693 1.8309 489.683  5.2900  223.236 1.9449 218.150 3.1025 5.086655       3.661762 
1 1 1 3  10 25 o 228.073 1.9123 521.440  5.5929  229.018 1.9516 227.129 3.2891 1.888824       3.824525 
1 1 1 3  10 27 o 155.156 1.7739 240.828  3.8036  155.123 2.1815 155.188 2.7978 -0.6495667E-01 3.547771 
1 1 1 3  10 29 o 215.822 3.1998 465.556  6.6637  215.435 2.0747 216.210 6.0540 -0.7749329     6.399621 
1 1 1 3  10 31 o 226.103 2.1520 509.238  6.0879  224.227 2.1072 227.978 3.7530 -3.750549      4.304086 
1 1 1 3  10 33 o 71.338  1.7003 50.529   1.6192  69.917  1.9178 72.759  2.8082 -2.841057      3.400576 
1 1 1 3  10 35 o 119.475 1.5966 142.479  2.5386  118.644 1.7760 120.305 2.6537 -1.661209      3.193130 
1 1 1 3  10 37 o 79.517  1.9724 63.159   1.9670  79.151  1.9361 79.882  3.4370 -0.7309799     3.944793 
1 1 1 3  10 39 o 152.516 1.8359 233.788  3.5916  153.398 1.8731 151.635 3.1581 1.763992       3.671793 
1 1 1 3  10 41 o 33.083  4.1908 11.803   1.6419  35.806  3.5664 30.360  7.5851 5.446400       8.381697 
1 1 1 3  10 43 o 16.858  4.5071 1.4264   1.6192  19.188  6.1681 14.528  6.5733 4.659711       9.014121 
1 1 1 3  10 45 o 43.837  3.2351 19.172   1.8475  41.879  3.5067 45.795  5.4376 -3.916340      6.470261 
1 1 1 3  10 47 o 53.545  2.5216 28.637   1.8623  49.249  3.2412 57.841  3.8636 -8.592190      5.043139 
1 1 1 3  10 49 o 52.179  2.9505 28.521   2.1004  53.681  3.4494 50.677  4.7878 3.003941       5.900955 
1 1 1 3  10 51 o 26.995  4.7704 8.6960   1.9464  32.353  5.3286 21.637  7.9140 10.71609       9.540703 
1 1 1 3  10 53 o 17.218  4.7984 2.7243   1.7520  18.046  6.4335 16.390  7.1210 1.656767       9.596828 
1 1 1 3  11 0  o 340.243 3.6416 1158.25  24.774  340.243 3.6416 ?       ?      0.000000       0.000000 
1 1 1 3  11 2  o 317.676 2.3950 1009.51  10.758  318.280 3.3502 317.072 3.4234 1.207581       4.789928 
1 1 1 3  11 4  o 218.089 1.6973 474.618  5.2163  223.064 2.4903 213.113 2.3070 9.950562       3.394674 
1 1 1 3  11 6  o 329.280 2.4445 1082.81  11.295  332.774 3.6840 325.786 3.2142 6.988159       4.889050 
1 1 1 3  11 8  o 318.631 2.2464 1015.22  10.118  310.957 3.2032 326.305 3.1504 -15.34848      4.492852 
1 1 1 3  11 10 o 579.905 3.6086 3363.44  29.591  572.871 5.1047 586.938 5.1020 -14.06726      7.217277 
1 1 1 3  11 12 o 81.924  1.4873 66.617   1.7027  85.314  2.2452 78.535  1.9513 6.779709       2.974645 
1 1 1 3  11 14 o 259.683 1.9211 673.990  7.0484  262.879 2.7689 256.488 2.6637 6.391388       3.842156 
1 1 1 3  11 16 o 610.101 3.7747 3723.84  32.554  610.007 5.4325 610.194 5.2424 -0.1870728     7.549490 
1 1 1 3  11 18 o 632.927 3.8667 4008.71  34.606  629.193 5.5205 636.661 5.4156 -7.468079      7.733376 
1 1 1 3  11 20 o 325.638 2.3518 1058.00  10.754  331.658 3.5231 319.617 3.1164 12.04092       4.703656 
1 1 1 3  11 22 o 170.102 1.7313 287.993  3.6942  168.630 1.7039 171.574 3.0144 -2.945038      3.462611 
1 1 1 3  11 24 o 255.921 2.0987 647.385  6.7543  250.451 2.0905 261.391 3.6397 -10.94002      4.197308 
1 1 1 3  11 26 o 147.804 1.7656 218.293  3.6245  147.012 2.2150 148.596 2.7500 -1.584106      3.531160 
1 1 1 3  11 28 o 43.701  4.0207 19.155   2.1140  43.740  3.6495 43.663  7.1656 0.7696915E-01  8.041398 
1 1 1 3  11 30 f 185.942 1.8863 348.552  4.5129  188.753 1.9282 183.130 3.2425 5.622986       3.772522 
1 1 1 3  11 32 o 184.653 1.8013 343.670  4.3508  187.590 1.9061 181.715 3.0570 5.874725       3.602533 
1 1 1 3  11 34 o 64.224  1.8636 40.920   1.6625  61.551  2.3859 66.896  2.8634 -5.345615      3.727163 
1 1 1 3  11 36 o 50.029  2.3953 25.305   1.5224  50.886  2.3841 49.173  4.1552 1.713314       4.790554 
1 1 1 3  11 38 o 109.781 1.6205 121.276  2.3650  111.067 1.7821 108.496 2.7071 2.571083       3.241072 
1 1 1 3  11 40 o 83.984  1.8707 71.711   2.0318  86.434  1.9207 81.534  3.2108 4.900146       3.741408 
1 1 1 3  11 42 o 92.386  2.2258 84.436   2.5250  90.081  2.1264 94.691  3.9110 -4.610161      4.451679 
1 1 1 3  11 44 o 20.268  4.8966 3.9443   1.6770  18.611  6.5781 21.925  7.2550 -3.314413      9.793218 
1 1 1 3  11 46 o 48.111  3.0798 24.318   1.9702  51.913  3.3209 44.308  5.1878 7.605141       6.159669 
1 1 1 3  11 48 o 62.893  2.4310 40.388   2.0813  62.382  2.8659 63.403  3.9275 -1.020889      4.861959 
1 1 1 3  11 50 o 18.641  5.2217 3.0329   2.0113  17.806  6.9498 19.477  7.7952 -1.670790      10.44344 
1 1 1 3  11 52 o 27.346  5.1954 8.8114   2.0123  21.426  6.8608 33.267  7.8037 -11.84127      10.39081 
1 1 1 3  11 54 o 14.199  4.7552 -1.4813  1.9265  9.8044  4.7364 18.593  8.2470 -8.788305      9.510353 
1 1 1 3  12 1  o 228.750 1.9253 523.459  6.2253  223.865 2.7666 233.634 2.6783 -9.769180      3.850620 
1 1 1 3  12 3  o 594.790 3.7992 3539.42  31.957  594.698 5.3790 594.881 5.3667 -0.1829834     7.598362 
1 1 1 3  12 5  o 628.945 3.9016 3957.40  34.703  630.169 5.5018 627.721 5.5334 2.447144       7.803152 
1 1 1 3  12 7  o 243.342 1.8300 591.246  6.2528  246.122 2.7499 240.562 2.4153 5.559738       3.660046 
1 1 1 3  12 9  f 497.540 3.2641 2477.07  22.951  491.969 4.7242 503.111 4.5053 -11.14224      6.528103 
1 1 1 3  12 11 o 326.060 2.3395 1061.67  10.772  317.200 3.2610 334.919 3.3553 -17.71878      4.678906 
1 1 1 3  12 13 o 490.694 3.1329 2408.21  21.739  488.392 4.4058 492.996 4.4553 -4.603882      6.265860 
1 1 1 3  12 15 o 668.299 4.0772 4468.33  38.532  662.693 5.7714 673.905 5.7606 -11.21143      8.154345 
1 1 1 3  12 17 o 508.719 3.2306 2589.06  23.241  505.945 4.5811 511.492 4.5564 -5.546448      6.461163 
1 1 1 3  12 19 o 234.861 1.8267 551.796  6.0658  231.979 2.6148 237.743 2.5514 -5.763535      3.653336 
1 1 1 3  12 21 o 370.591 2.4675 1374.20  12.929  368.075 3.5388 373.108 3.4397 -5.033417      4.935082 
1 1 1 3  12 23 o 130.148 1.3017 168.719  2.3735  126.838 1.7116 133.457 1.9616 -6.618996      2.603311 
1 1 1 3  12 25 o 141.234 1.9384 200.889  3.8044  145.919 2.4067 136.549 3.0394 9.369812       3.876859 
1 1 1 3  12 27 o 201.751 1.9620 409.059  5.3241  204.179 2.2203 199.322 3.2354 4.856430       3.923977 
1 1 1 3  12 29 o 202.588 2.2785 414.890  5.9313  206.653 2.3173 198.522 3.9239 8.130997       4.557045 
1 1 1 3  12 31 o 56.773  2.3104 32.746   1.7057  58.588  2.3976 54.958  3.9501 3.630131       4.620807 
1 1 1 3  12 33 o 102.924 1.7153 103.784  2.1844  99.265  1.6724 106.582 2.9954 -7.317169      3.430618 
1 1 1 3  12 35 o 76.286  1.7984 57.849   1.8389  74.841  2.0476 77.730  2.9572 -2.889305      3.596853 
1 1 1 3  12 37 o 59.093  1.9475 35.399   1.5733  61.539  2.2826 56.647  3.1560 4.891911       3.894999 
1 1 1 3  12 39 o 99.679  1.7512 99.654   2.3440  99.851  1.9823 99.506  2.8875 0.3449326      3.502486 
1 1 1 3  12 41 o 42.587  3.3169 18.444   1.7793  43.220  3.2502 41.955  5.7832 1.264938       6.633885 
1 1 1 3  12 43 o 25.241  4.9790 6.6008   1.7438  23.475  5.9687 27.006  7.9710 -3.530947      9.958002 
1 1 1 3  12 45 o 13.268  4.2571 -1.8588  1.7027  11.373  5.3318 15.162  6.6380 -3.788783      8.514195 
1 1 1 3  12 47 o 16.632  4.9245 1.2132   1.7793  13.926  5.8778 19.338  7.9029 -5.412548      9.849079 
1 1 1 3  12 49 o 40.822  3.7665 17.754   2.0585  40.596  4.2466 41.049  6.2219 -0.4529076     7.532991 
1 1 1 3  12 51 o 19.108  5.0499 3.8007   1.8398  19.574  6.7334 18.642  7.5278 0.9321785      10.09987 
1 1 1 3  12 53 o 17.807  5.0027 2.9478   1.8623  14.170  6.1308 21.444  7.9071 -7.273361      10.00539 
1 1 1 3  13 0  o 511.279 4.9589 2615.19  50.697  511.279 4.9589 ?       ?      0.000000       0.000000 
1 1 1 3  13 2  o 616.545 3.8051 3800.01  33.113  610.817 5.2057 622.274 5.5511 -11.45691      7.610157 
1 1 1 3  13 4  o 225.613 1.8519 509.217  5.9060  222.613 2.6674 228.613 2.5695 -5.999954      3.703738 
1 1 1 3  13 6  o 247.709 1.9138 613.608  6.7037  246.460 2.6943 248.959 2.7186 -2.499908      3.827544 
1 1 1 3  13 8  o 310.011 2.2283 961.205  9.7691  311.597 3.1352 308.426 3.1674 3.171814       4.456662 
1 1 1 3  13 10 o 362.195 2.4933 1312.12  12.770  360.687 3.5582 363.702 3.4936 -3.015045      4.986566 
1 1 1 3  13 12 o 303.111 2.2573 917.979  9.6496  306.511 3.3122 299.711 3.0678 6.800018       4.514628 
1 1 1 3  13 14 o 447.295 2.8971 2000.36  18.307  451.188 4.1889 443.402 4.0032 7.785980       5.794184 
1 1 1 3  13 16 o 389.772 4.0095 1515.13  21.937  398.898 6.0025 380.645 5.3174 18.25296       8.019066 
1 1 1 3  13 18 o 216.821 2.0880 469.371  6.1348  218.003 3.3975 215.638 2.4280 2.365051       4.175911 
1 1 1 3  13 20 o 183.609 2.2683 336.857  5.7333  184.399 3.6011 182.818 2.7591 1.580734       4.536613 
1 1 1 3  13 22 o 391.091 2.6337 1531.20  14.558  383.214 3.7989 398.969 3.6489 -15.75482      5.267444 
1 1 1 3  13 24 o 255.633 2.0222 652.962  7.2940  251.331 2.7691 259.935 2.9477 -8.604050      4.044364 
1 1 1 3  13 26 o 206.729 1.9477 426.347  5.3372  205.243 2.1466 208.215 3.2506 -2.972260      3.895362 
1 1 1 3  13 28 f 161.147 2.5722 265.710  4.3572  165.283 1.8543 157.011 4.7986 8.271988       5.144424 
1 1 1 3  13 30 o 212.089 2.1454 451.035  5.6241  212.712 2.0412 211.466 3.7743 1.245712       4.290861 
1 1 1 3  13 32 o 89.783  1.7066 80.211   2.0585  88.377  1.9507 91.189  2.8008 -2.812416      3.413159 
1 1 1 3  13 34 o 107.913 1.6597 116.622  2.3086  108.002 1.7145 107.824 2.8424 0.1782608      3.319467 
1 1 1 3  13 36 o 120.167 1.7100 144.635  2.7119  120.231 1.8587 120.103 2.8708 0.1278763      3.419996 
1 1 1 3  13 38 o 34.979  3.1621 12.077   1.5324  29.997  4.4699 39.961  4.4739 -9.963625      6.324235 
1 1 1 3  13 40 o 18.589  4.7303 1.8620   1.8125  21.578  6.1875 15.599  7.1566 5.979427       9.460511 
1 1 1 3  13 42 o 55.216  2.4062 31.146   1.7520  57.037  2.5748 53.396  4.0657 3.640617       4.812416 
1 1 1 3  13 44 o 15.476  4.4011 0.5132   1.5902  17.022  6.0062 13.931  6.4348 3.091344       8.802297 
1 1 1 3  13 46 o 24.338  5.3052 6.4155   1.8973  22.309  6.4841 26.368  8.3986 -4.058741      10.61038 
1 1 1 3  13 48 f 15.190  4.6405 0.3024   1.8057  14.426  6.2470 15.955  6.8638 -1.528584      9.280985 
1 1 1 3  13 50 o 16.863  4.8701 2.0234   1.8164  16.577  6.5413 17.149  7.2168 -0.5721874     9.740167 
1 1 1 3  13 52 o 16.600  5.1691 1.3923   2.0840  14.105  6.1171 19.094  8.3343 -4.988192      10.33829 
1 1 1 3  14 1  o 454.035 3.0130 2061.49  19.339  451.253 4.2024 456.818 4.3190 -5.565186      6.026095 
1 1 1 3  14 3  o 841.236 5.1522 7077.49  61.244  850.105 7.4208 832.367 7.1493 17.73871       10.30439 
1 1 1 3  14 5  o 254.320 2.0597 646.929  7.4061  252.952 2.9533 255.689 2.8718 -2.736984      4.119375 
1 1 1 3  14 7  o 232.401 1.9718 539.765  6.4731  235.354 2.8486 229.448 2.7271 5.905533       3.943571 
1 1 1 3  14 9  o 926.729 5.5517 8594.98  72.757  924.305 7.8958 929.153 7.8065 -4.847900      11.10335 
1 1 1 3  14 11 o 264.986 2.0536 700.551  7.6557  259.651 2.7542 270.321 3.0470 -10.66986      4.107284 
1 1 1 3  14 13 o 318.261 2.3604 1012.81  10.544  318.928 3.5636 317.594 3.0961 1.334717       4.720709 
1 1 1 3  14 15 o 295.714 2.2198 875.674  9.2301  292.882 3.3355 298.546 2.9300 -5.664612      4.439681 
1 1 1 3  14 17 o 225.088 1.7771 506.309  5.6289  226.773 2.6467 223.403 2.3722 3.369873       3.554185 
1 1 1 3  14 19 o 546.752 3.4532 2992.96  26.684  542.482 4.9905 551.022 4.7741 -8.539368      6.906318 
1 1 1 3  14 21 o 281.908 2.0420 795.040  8.1408  280.753 2.8883 283.062 2.8873 -2.309296      4.083969 
1 1 1 3  14 23 o 309.679 2.3555 959.302  10.295  307.946 3.2138 311.412 3.4446 -3.466461      4.711035 
1 1 1 3  14 25 o 189.091 1.8472 356.218  4.7324  186.712 2.1544 191.469 3.0013 -4.757309      3.694489 
1 1 1 3  14 27 o 142.071 2.0866 202.583  3.4012  142.650 1.7456 141.491 3.7907 1.159866       4.173297 
1 1 1 3  14 29 o 252.635 2.3814 641.340  7.6471  254.387 2.3845 250.884 4.1229 3.503494       4.762805 
1 1 1 3  14 31 o 190.648 1.8938 365.210  4.6664  192.152 1.9605 189.145 3.2407 3.006866       3.787593 
1 1 1 3  14 33 o 22.600  4.6165 5.0481   1.4855  19.673  5.7858 25.528  7.1953 -5.855433      9.232993 
1 1 1 3  14 35 o 126.452 1.7340 159.826  2.8847  125.936 1.8759 126.969 2.9167 -1.033470      3.467901 
1 1 1 3  14 37 o 26.081  3.8693 7.1774   1.4018  30.002  4.4693 22.160  6.3176 7.841358       7.738665 
1 1 1 3  14 39 o 62.094  2.2455 38.955   1.9218  63.515  2.7143 60.673  3.5781 2.842232       4.491079 
1 1 1 3  14 41 o 71.642  2.0374 52.157   1.9500  73.715  2.2521 69.569  3.3958 4.145775       4.074739 
1 1 1 3  14 43 o 19.231  4.9865 3.0466   1.7308  16.187  6.3027 22.275  7.7290 -6.087425      9.973041 
1 1 1 3  14 45 o 51.525  2.5886 26.876   1.8571  50.028  3.3184 53.022  3.9739 -2.994122      5.177210 
1 1 1 3  14 47 o 38.838  3.9270 16.537   2.0253  41.959  4.4130 35.717  6.4971 6.242584       7.854079 
1 1 1 3  14 49 o 14.121  4.5409 -1.3196  1.9256  13.642  6.0141 14.599  6.8050 -0.9561348     9.081743 
1 1 1 3  14 51 o 29.302  5.5198 10.742   2.1692  29.997  5.7390 28.607  9.4305 1.390230       11.03955 
1 1 1 3  14 53 o 14.949  4.6483 0.6243   1.9256  15.430  6.3740 14.467  6.7676 0.9621468      9.296680 
1 1 1 3  15 0  o 186.826 2.6328 349.262  9.8330  186.826 2.6328 ?       ?      0.000000       0.000000 
1 1 1 3  15 2  o 341.120 2.4451 1163.42  11.742  342.100 3.6395 340.140 3.2663 1.959991       4.890280 
1 1 1 3  15 4  o 498.043 3.3544 2481.26  23.624  499.909 4.7002 496.177 4.7871 3.732147       6.708833 
1 1 1 3  15 6  o 318.379 2.3049 1013.92  10.375  316.573 3.3078 320.184 3.2106 -3.610657      4.609705 
1 1 1 3  15 8  o 532.663 3.3953 2837.51  25.551  535.175 4.9155 530.151 4.6851 5.024658       6.790550 
1 1 1 3  15 10 o 791.828 4.7996 6277.13  53.643  787.684 7.0361 795.973 6.5297 -8.289185      9.599117 
1 1 1 3  15 12 o 846.572 5.2018 7163.09  62.126  863.287 7.5811 829.856 7.1248 33.43127       10.40364 
1 1 1 3  15 14 o 179.050 1.5633 320.566  3.9577  177.482 2.1945 180.619 2.2271 -3.137375      3.126653 
1 1 1 3  15 16 o 267.318 2.0453 714.473  7.7069  268.568 3.0193 266.068 2.7597 2.500549       4.090558 
1 1 1 3  15 18 o 423.111 2.7807 1791.70  16.628  420.964 4.0194 425.259 3.8437 -4.294830      5.561471 
1 1 1 3  15 20 o 177.255 1.5546 314.268  3.8907  177.290 2.2689 177.221 2.1257 0.6915283E-01  3.109121 
1 1 1 3  15 22 o 166.089 1.5087 275.824  3.5411  167.625 2.1712 164.552 2.0953 3.072754       3.017374 
1 1 1 3  15 24 o 286.185 2.3827 821.726  9.2022  288.149 2.7255 284.220 3.9089 3.928833       4.765321 
1 1 1 3  15 26 o 79.496  1.9590 63.129   2.1987  82.546  2.7847 76.447  2.7562 6.098770       3.918057 
1 1 1 3  15 28 o 124.204 1.7587 155.146  2.7545  125.357 1.7318 123.050 3.0615 2.306900       3.517359 
1 1 1 3  15 30 o 89.062  1.7277 79.009   2.1409  87.064  2.2001 91.060  2.6645 -3.996552      3.455468 
1 1 1 3  15 32 o 238.200 2.2433 569.593  6.9380  239.209 2.3489 237.192 3.8225 2.017227       4.486571 
1 1 1 3  15 34 o 61.487  1.8419 37.868   1.5860  61.546  2.3861 61.427  2.8065 0.1186371      3.683755 
1 1 1 3  15 36 o 88.420  2.1218 77.331   2.2843  86.519  1.9926 90.320  3.7467 -3.801552      4.243646 
1 1 1 3  15 38 o 91.684  1.6674 84.420   2.1004  92.273  2.0067 91.096  2.6635 1.177284       3.334827 
1 1 1 3  15 40 o 16.749  4.6920 1.3059   1.6770  13.945  6.0198 19.554  7.1987 -5.608170      9.383989 
1 1 1 3  15 42 o 90.417  2.0071 81.539   2.2921  88.964  2.0096 91.870  3.4751 -2.905426      4.014276 
1 1 1 3  15 44 o 24.742  4.9188 6.7009   1.8147  26.690  6.5086 22.794  7.3768 3.895897       9.837655 
1 1 1 3  15 46 o 45.682  3.1647 21.310   1.9714  42.961  3.8642 48.402  5.0128 -5.440533      6.329337 
1 1 1 3  15 48 o 60.056  2.9839 36.224   2.2135  56.013  2.9638 64.099  5.1799 -8.085957      5.967853 
1 1 1 3  15 50 o 53.286  3.2774 30.725   2.2986  54.728  3.5000 51.844  5.5421 2.883823       6.554787 
1 1 1 3  15 52 o 20.318  5.4366 5.2262   2.1004  18.962  7.1552 21.675  8.1872 -2.713070      10.87319 
1 1 1 3  16 1  f 520.828 3.4770 2713.99  25.604  515.035 4.9837 526.621 4.8498 -11.58600      6.954003 
1 1 1 3  16 3  o 856.550 5.2243 7338.24  63.192  849.037 7.1819 864.063 7.5891 -15.02545      10.44864 
1 1 1 3  16 5  o 204.397 1.7561 417.803  5.0759  203.054 2.4842 205.740 2.4828 -2.686264      3.512150 
1 1 1 3  16 7  o 603.137 3.8065 3639.53  32.468  601.190 5.3847 605.084 5.3817 -3.893982      7.612978 
1 1 1 3  16 9  o 321.354 2.3677 1033.02  10.759  318.930 3.3834 323.779 3.3130 -4.848541      4.735359 
1 1 1 3  16 11 o 322.734 2.2401 1041.31  10.191  324.383 3.3069 321.086 3.0226 3.296387       4.480139 
1 1 1 3  16 13 o 186.518 1.7495 348.428  4.5751  184.804 2.6604 188.232 2.2727 -3.428268      3.498984 
1 1 1 3  16 15 o 252.339 1.8706 637.002  6.6686  251.565 2.7158 253.112 2.5731 -1.546448      3.741155 
1 1 1 3  16 17 o 188.506 1.6777 354.726  4.4467  191.450 2.5013 185.563 2.2366 5.887192       3.355438 
1 1 1 3  16 19 o 146.777 1.4782 215.300  3.0529  147.840 2.2026 145.713 1.9719 2.127335       2.956322 
1 1 1 3  16 21 o 214.459 1.8255 460.949  5.5185  209.723 2.7096 219.196 2.4469 -9.473389      3.650922 
1 1 1 3  16 23 o 90.030  1.4826 81.155   1.8787  89.319  2.2161 90.741  1.9702 -1.421883      2.965253 
1 1 1 3  16 25 f 237.620 2.2081 564.887  7.3714  238.571 3.3187 236.669 2.9137 1.902100       4.416281 
1 1 1 3  16 27 o 70.985  1.8765 50.364   1.8787  72.061  2.7468 69.908  2.5574 2.152817       3.752983 
1 1 1 3  16 29 o 345.479 2.9077 1194.57  13.493  344.144 3.3025 346.814 4.7867 -2.670105      5.815452 
1 1 1 3  16 31 o 181.008 1.9930 331.633  4.6478  184.987 2.0365 177.028 3.4265 7.958954       3.985939 
1 1 1 3  16 33 o 101.052 1.6880 103.034  2.3003  103.345 1.9153 98.758  2.7801 4.587341       3.375986 
1 1 1 3  16 35 o 53.888  2.5833 29.007   1.8841  53.042  3.0094 54.733  4.1997 -1.690567      5.166631 
1 1 1 3  16 37 o 126.831 1.6686 161.886  2.8483  128.245 1.8919 125.418 2.7491 2.826111       3.337249 
1 1 1 3  16 39 o 37.816  3.3163 14.567   1.7507  39.612  4.1909 36.020  5.1407 3.592129       6.632511 
1 1 1 3  16 41 o 64.300  2.4838 41.608   1.9831  64.077  2.3915 64.524  4.3541 -0.4470825     4.967640 
1 1 1 3  16 43 o 24.408  4.6978 6.2501   1.6432  20.300  6.2823 28.517  6.9865 -8.217653      9.395622 
1 1 1 3  16 45 o 19.471  5.1719 2.8395   2.1033  22.079  7.1248 16.863  7.4988 5.216007       10.34384 
1 1 1 3  16 47 o 36.006  4.2958 14.517   2.0354  38.249  4.6741 33.764  7.2089 4.485714       8.591581 
1 1 1 3  16 49 o 18.287  5.4676 2.1488   2.2407  15.202  6.5311 21.372  8.7707 -6.169661      10.93523 
1 1 1 3  16 51 o 33.178  5.4445 14.462   2.3242  36.271  4.9290 30.085  9.7096 6.186502       10.88906 
1 1 1 3  17 0  o 798.036 6.9220 6372.79  110.461 798.036 6.9220 ?       ?      0.000000       0.000000 
1 1 1 3  17 2  o 750.487 4.6998 5636.89  49.841  750.628 6.4903 750.345 6.7991 0.2832031      9.399531 
1 1 1 3  17 4  o 284.050 2.2094 806.959  8.8748  285.185 3.1345 282.915 3.1145 2.269562       4.418715 
1 1 1 3  17 6  o 496.426 3.2786 2464.98  23.011  493.028 4.5845 499.824 4.6883 -6.796143      6.557277 
1 1 1 3  17 8  o 419.674 2.8954 1762.61  17.176  412.994 4.1743 426.354 4.0136 -13.35941      5.790802 
1 1 1 3  17 10 o 176.721 1.6629 312.439  4.1414  176.214 2.4640 177.228 2.2337 -1.014343      3.325730 
1 1 1 3  17 12 o 498.827 3.2690 2489.35  23.015  500.765 4.7815 496.889 4.4590 3.876343       6.537951 
1 1 1 3  17 14 o 284.867 2.1031 812.224  8.4456  283.047 3.1130 286.686 2.8285 -3.638947      4.206133 
1 1 1 3  17 16 o 132.830 1.4514 176.704  2.6952  131.818 2.2282 133.841 1.8605 -2.023178      2.902806 
1 1 1 3  17 18 o 329.914 2.2513 1089.06  10.503  327.796 3.1945 332.033 3.1730 -4.237274      4.502519 
1 1 1 3  17 20 o 31.577  3.4263 10.401   1.4189  28.709  5.7631 34.445  3.7074 -5.735826      6.852647 
1 1 1 3  17 22 o 427.556 3.0530 1830.81  18.337  427.097 4.0215 428.016 4.5947 -0.9193420     6.106031 
1 1 1 3  17 24 o 180.878 1.9209 326.748  4.7107  181.949 3.1232 179.806 2.2372 2.143341       3.841811 
1 1 1 3  17 26 o 127.340 1.7525 160.906  3.0231  124.223 2.0560 130.457 2.8387 -6.234177      3.505074 
1 1 1 3  17 28 o 119.573 1.6426 143.084  2.7771  119.759 2.3459 119.387 2.2997 0.3716583      3.285106 
1 1 1 3  17 30 o 151.609 1.5492 229.763  3.3092  149.596 2.0914 153.622 2.2860 -4.025986      3.098356 
1 1 1 3  17 32 o 90.436  1.9175 82.265   2.2986  91.416  2.0954 89.457  3.2119 1.958664       3.834965 
1 1 1 3  17 34 o 50.825  2.2397 25.801   1.5554  50.098  2.6765 51.552  3.5918 -1.454712      4.479354 
1 1 1 3  17 36 o 83.452  1.8417 69.654   2.0585  82.886  2.0799 84.017  3.0399 -1.131294      3.683322 
1 1 1 3  17 38 o 39.894  2.9979 16.004   1.6866  37.993  4.2015 41.795  4.2776 -3.801895      5.995861 
1 1 1 3  17 40 o 51.374  2.9645 26.521   1.9832  50.600  3.1547 52.148  5.0201 -1.548279      5.929000 
1 1 1 3  17 42 o 48.677  2.7699 24.422   1.7966  50.522  3.0331 46.832  4.6356 3.690533       5.539730 
1 1 1 3  17 44 o 15.456  4.6971 0.3325   1.8429  15.187  6.4653 15.725  6.8155 -0.5377874     9.394180 
1 1 1 3  17 46 o 17.400  5.0093 1.9320   1.8784  16.879  6.4680 17.922  7.6508 -1.042372      10.01853 
1 1 1 3  17 48 o 24.550  4.6113 7.0294   1.9332  31.179  4.9149 17.922  7.8039 13.25674       9.222622 
1 1 1 3  17 50 o 21.382  5.2490 5.8156   1.9469  20.898  7.4671 21.867  7.3790 -0.9694481     10.49800 
1 1 1 3  18 1  f 405.172 2.9754 1641.61  17.033  408.516 4.2982 401.828 4.1155 6.687561       5.950803 
1 1 1 3  18 3  f 344.420 2.6172 1186.92  12.725  343.276 3.8317 345.564 3.5661 -2.287689      5.234374 
1 1 1 3  18 5  o 332.790 2.4829 1107.79  11.681  333.508 3.5610 332.072 3.4610 1.435333       4.965813 
1 1 1 3  18 7  o 278.385 2.1693 775.123  8.4895  278.620 3.2542 278.149 2.8694 0.4713135      4.338577 
1 1 1 3  18 9  o 62.984  1.7569 39.467   1.5480  64.909  2.6560 61.059  2.3006 3.849632       3.513813 
1 1 1 3  18 11 o 408.154 2.7488 1665.88  15.852  412.715 3.9605 403.592 3.8128 9.122559       5.497537 
1 1 1 3  18 13 f 127.760 1.5755 162.249  2.7979  131.380 2.4300 124.141 2.0059 7.239983       3.150962 
1 1 1 3  18 15 o 210.916 1.7500 446.002  5.1989  205.434 2.6108 216.397 2.3310 -10.96277      3.499950 
1 1 1 3  18 17 o 292.121 2.1717 853.870  8.9709  288.974 3.0934 295.268 3.0491 -6.293762      4.343480 
1 1 1 3  18 19 o 282.621 2.1621 799.907  8.5895  280.926 3.2502 284.316 2.8521 -3.390076      4.324150 
1 1 1 3  18 21 o 134.506 1.8483 181.068  3.5106  139.964 2.5547 129.049 2.6718 10.91496       3.696602 
1 1 1 3  18 23 o 251.500 2.3003 633.884  7.8852  250.584 3.7202 252.416 2.7066 -1.832581      4.600615 
1 1 1 3  18 25 o 66.368  2.4723 44.255   2.2702  67.293  3.0363 65.443  3.9027 1.849548       4.944695 
1 1 1 3  18 27 o 160.943 1.6548 259.266  3.6739  161.038 2.0221 160.847 2.6200 0.1911774      3.309551 
1 1 1 3  18 29 o 155.217 1.6028 240.600  3.4828  153.011 2.0865 157.424 2.4336 -4.413223      3.205560 
1 1 1 3  18 31 o 99.251  1.4569 98.649   2.0432  101.599 2.0110 96.903  2.1085 4.696251       2.913785 
1 1 1 3  18 33 o 22.658  4.2894 5.4232   1.4455  25.991  4.8481 19.324  7.0775 6.666317       8.578705 
1 1 1 3  18 35 o 41.333  3.2686 17.279   1.8398  41.698  3.8282 40.969  5.2989 0.7289276      6.537108 
1 1 1 3  18 37 o 53.029  1.9582 28.222   1.4686  53.150  2.7631 52.909  2.7756 0.2408142      3.916478 
1 1 1 3  18 39 o 62.529  2.8102 39.970   2.3658  64.579  3.1639 60.479  4.6453 4.100449       5.620428 
1 1 1 3  18 41 o 34.733  3.5188 12.763   1.5975  37.019  3.7945 32.447  5.9270 4.572697       7.037577 
1 1 1 3  18 43 o 29.830  4.4043 9.8159   1.9070  20.333  7.1133 39.328  5.1954 -18.99437      8.808533 
1 1 1 3  18 45 o 20.378  5.4101 3.2601   1.9831  14.344  6.1005 26.412  8.9365 -12.06760      10.82020 
1 1 1 3  18 47 o 13.273  4.3412 -2.8613  1.9933  13.975  6.1938 12.570  6.0843 1.405607       8.682312 
1 1 1 3  18 49 o 23.235  5.2763 6.6555   2.1540  27.540  7.1322 18.930  7.7775 8.609446       10.55268 
1 1 1 3  18 51 o 24.708  4.7375 7.9581   2.0993  33.098  6.2093 16.318  7.1568 16.78028       9.475020 
1 1 1 3  19 0  o 259.477 2.8799 673.622  14.941  259.477 2.8799 ?       ?      0.000000       0.000000 
1 1 1 3  19 2  o 223.861 1.9057 500.943  6.0296  219.855 2.6719 227.867 2.7180 -8.011993      3.811375 
1 1 1 3  19 4  o 385.799 2.6587 1489.42  14.476  386.897 3.6142 384.700 3.9004 2.197388       5.317481 
1 1 1 3  19 6  o 138.977 1.5917 193.110  3.1274  137.186 2.2341 140.768 2.2679 -3.582596      3.183483 
1 1 1 3  19 8  o 212.859 1.8349 453.233  5.5229  213.759 2.5688 211.959 2.6208 1.800400       3.669804 
1 1 1 3  19 10 o 137.202 1.4643 188.256  2.8410  135.923 2.0669 138.482 2.0748 -2.559006      2.928670 
1 1 1 3  19 12 o 145.404 1.5392 211.499  3.1525  145.227 2.2862 145.581 2.0614 -0.3546753     3.078327 
1 1 1 3  19 14 o 229.065 1.8429 524.889  5.9698  230.109 2.6083 228.020 2.6042 2.089645       3.685793 
1 1 1 3  19 16 o 76.009  1.9780 58.389   2.0157  73.903  3.2831 78.116  2.2069 -4.213211      3.955940 
1 1 1 3  19 18 o 289.288 2.1409 834.622  8.6687  295.139 3.2451 283.438 2.7934 11.70126       4.281779 
1 1 1 3  19 20 o 57.973  1.9859 33.570   1.6226  59.127  2.9157 56.819  2.6970 2.307415       3.971786 
1 1 1 3  19 22 o 264.950 2.3947 702.503  8.6726  265.278 3.8511 264.622 2.8472 0.6559753      4.789310 
1 1 1 3  19 24 o 175.659 1.6427 309.147  4.0120  174.629 2.5594 176.689 2.0598 -2.059845      3.285370 
1 1 1 3  19 26 o 93.857  1.7830 88.202   2.3556  94.100  2.3749 93.614  2.6600 0.4859619      3.565921 
1 1 1 3  19 28 o 86.165  1.5720 74.322   1.9155  86.683  2.2098 85.646  2.2365 1.037437       3.144087 
1 1 1 3  19 30 o 63.261  1.9325 40.160   1.7216  64.576  2.5708 61.945  2.8861 2.631432       3.865046 
1 1 1 3  19 32 o 77.434  1.7769 59.574   1.9218  73.865  2.3339 81.003  2.6800 -7.137825      3.553847 
1 1 1 3  19 34 o 25.492  4.6676 6.8430   1.7438  29.328  4.7897 21.656  8.0127 7.671579       9.335128 
1 1 1 3  19 36 f 51.790  2.7327 26.930   1.8297  51.565  2.8480 52.015  4.6646 -0.4499893     5.465307 
1 1 1 3  19 38 o 22.028  5.2088 4.4463   2.0374  24.928  6.7500 19.128  7.9351 5.800003       10.41769 
1 1 1 3  19 40 o 33.320  4.2048 11.421   1.8112  31.810  4.6167 34.830  7.0291 -3.020361      8.409670 
1 1 1 3  19 42 o 53.110  2.5659 28.816   1.8964  53.400  3.2284 52.820  3.9892 0.5803719      5.131865 
1 1 1 3  19 44 o 24.386  5.5951 6.7751   2.2321  25.993  6.9763 22.778  8.7493 3.215231       11.19012 
1 1 1 3  19 46 o 39.705  3.2708 16.785   1.8057  40.718  4.0771 38.692  5.1157 2.026360       6.541671 
1 1 1 3  19 48 o 23.224  5.0944 6.5391   1.9986  27.369  6.7897 19.080  7.5969 8.288906       10.18882 
1 1 1 3  19 50 o 23.021  5.6889 7.4421   2.2915  20.915  7.7773 25.126  8.3048 -4.211443      11.37786 
1 1 1 3  20 1  o 560.182 3.5907 3141.11  28.444  560.960 5.0424 559.404 5.1135 1.556213       7.181455 
1 1 1 3  20 3  o 237.531 1.9198 564.374  6.4489  238.404 2.7050 236.657 2.7250 1.747238       3.839634 
1 1 1 3  20 5  o 368.581 2.7504 1359.49  14.334  365.662 3.9289 371.501 3.8499 -5.838989      5.500718 
1 1 1 3  20 7  o 571.059 3.6254 3263.57  29.246  575.153 5.2510 566.965 5.0002 8.187134       7.250887 
1 1 1 3  20 9  o 144.212 1.5348 208.072  3.1274  143.414 2.2261 145.009 2.1135 -1.595261      3.069607 
1 1 1 3  20 11 o 259.716 1.9991 674.637  7.3406  262.615 2.8447 256.817 2.8094 5.798096       3.998127 
1 1 1 3  20 13 o 198.814 1.7175 395.845  4.8154  196.114 2.5395 201.514 2.3130 -5.400375      3.435005 
1 1 1 3  20 15 o 194.840 1.6571 379.764  4.5633  195.067 2.3895 194.612 2.2966 0.4554138      3.314234 
1 1 1 3  20 17 o 92.719  1.4927 85.867   1.9218  93.369  2.3251 92.069  1.8725 1.300102       2.985326 
1 1 1 3  20 19 o 86.504  1.5920 74.849   1.9469  84.844  2.2577 88.164  2.2451 -3.320053      3.183953 
1 1 1 3  20 21 o 87.630  1.8748 75.372   2.0684  90.636  3.2406 84.625  1.8863 6.011368       3.749573 
1 1 1 3  20 23 o 28.458  4.4677 8.2054   1.6578  30.442  7.2294 26.475  5.2513 3.966707       8.935339 
1 1 1 3  20 25 o 68.554  1.8939 46.886   1.7744  69.333  3.0390 67.775  2.2610 1.558525       3.787883 
1 1 1 3  20 27 o 56.154  2.2969 31.556   1.8057  55.654  2.9829 56.655  3.4937 -1.001553      4.593897 
1 1 1 3  20 29 o 150.100 1.7164 225.513  3.6294  149.663 2.3038 150.537 2.5449 -0.8735962     3.432787 
1 1 1 3  20 31 o 112.839 1.6240 127.715  2.5824  114.544 2.1740 111.134 2.4130 3.409401       3.247925 
1 1 1 3  20 33 o 36.487  3.0809 13.578   1.5585  38.867  3.7785 34.107  4.8673 4.759209       6.161761 
1 1 1 3  20 35 f 31.701  4.0888 10.530   1.7274  33.552  4.5673 29.850  6.7833 3.701326       8.177582 
1 1 1 3  20 37 o 49.039  3.3358 23.951   2.1851  46.613  3.8354 51.466  5.4588 -4.853123      6.671506 
1 1 1 3  20 39 o 23.053  5.0573 5.5964   1.8057  22.491  6.8035 23.615  7.4844 -1.124182      10.11453 
1 1 1 3  20 41 o 29.453  4.1734 9.4161   1.6866  32.577  4.9000 26.328  6.7571 6.248646       8.346719 
1 1 1 3  20 43 o 52.332  2.8915 28.134   2.1004  50.155  3.6919 54.509  4.4512 -4.354187      5.783026 
1 1 1 3  20 45 o 36.560  4.2920 14.833   2.0123  36.928  4.4955 36.192  7.3128 0.7358589      8.584081 
1 1 1 3  20 47 o 27.052  5.2044 9.0078   2.0629  23.430  7.3533 30.674  7.3671 -7.244175      10.40887 
1 1 1 3  20 49 o 15.705  5.0066 0.6456   2.1213  13.524  6.0289 17.885  7.9949 -4.361235      10.01330 
1 1 1 3  21 0  o 188.122 2.9885 354.242  11.238  188.122 2.9885 ?       ?      0.000000       0.000000 
1 1 1 3  21 2  o 141.249 1.8861 199.480  3.7628  142.468 2.7339 140.030 2.5991 2.437744       3.772153 
1 1 1 3  21 4  o 155.582 1.6111 241.689  3.5296  158.104 2.3827 153.061 2.1692 5.042801       3.222249 
1 1 1 3  21 6  o 292.248 2.1783 854.504  9.0025  292.410 3.1007 292.085 3.0604 0.3256836      4.356671 
1 1 1 3  21 8  o 434.719 2.9498 1891.76  18.133  432.830 4.2043 436.608 4.1386 -3.777710      5.899522 
1 1 1 3  21 10 o 89.375  1.6184 79.630   2.0253  91.230  2.4496 87.521  2.1157 3.709320       3.236766 
1 1 1 3  21 12 o 187.299 1.7154 350.506  4.5010  188.810 2.6039 185.789 2.2339 3.020401       3.430836 
1 1 1 3  21 14 o 99.584  1.5234 98.957   2.1156  100.862 2.3423 98.305  1.9485 2.556725       3.046813 
1 1 1 3  21 16 o 178.732 1.6711 319.782  4.1987  178.047 2.5103 179.417 2.2064 -1.369644      3.342159 
1 1 1 3  21 18 o 143.023 1.5538 205.322  3.1235  138.824 2.3457 147.223 2.0384 -8.398590      3.107614 
1 1 1 3  21 20 o 177.325 1.7226 313.364  4.2567  180.912 2.6470 173.737 2.2051 7.175079       3.445150 
1 1 1 3  21 22 o 207.951 1.8560 432.889  5.3664  207.824 2.8880 208.079 2.3321 -0.2556305     3.712044 
1 1 1 3  21 24 o 137.350 1.7586 188.847  3.4157  138.232 2.4943 136.469 2.4797 1.763657       3.517193 
1 1 1 3  21 26 o 52.434  2.3330 27.337   1.6861  53.999  3.6656 50.869  2.8869 3.129818       4.665911 
1 1 1 3  21 28 o 22.595  4.9152 4.9154   1.8571  26.336  6.3650 18.854  7.4914 7.482172       9.830300 
1 1 1 3  21 30 o 68.958  2.1922 47.522   2.1271  71.257  3.2258 66.660  2.9693 4.596344       4.384393 
1 1 1 3  21 32 o 113.137 1.6780 128.403  2.6817  116.269 2.3065 110.005 2.4378 6.264450       3.356012 
1 1 1 3  21 34 o 141.948 1.6541 201.866  3.3153  140.523 2.2719 143.374 2.4048 -2.851257      3.308290 
1 1 1 3  21 36 o 62.138  2.3979 38.744   1.9921  61.419  2.7029 62.858  3.9616 -1.438644      4.795842 
1 1 1 3  21 38 o 24.616  5.1748 6.4855   1.9218  25.018  6.7391 24.213  7.8549 0.8053455      10.34960 
1 1 1 3  21 40 o 20.252  5.2852 3.4320   2.0113  16.796  6.8112 23.708  8.0833 -6.911966      10.57037 
1 1 1 3  21 42 o 77.043  2.1418 60.552   2.2348  77.373  2.4757 76.713  3.4958 0.6594925      4.283628 
1 1 1 3  21 44 o 19.422  4.8841 2.7895   2.0352  24.728  7.2695 14.116  6.5246 10.61211       9.768119 
1 1 1 3  21 46 o 25.027  5.1937 7.8050   2.0813  28.896  6.3589 21.158  8.2136 7.738287       10.38741 
1 1 1 3  21 48 o 14.407  4.5776 -0.2142  1.9608  14.724  6.4299 14.090  6.5172 0.6343498      9.155249 
1 1 1 3  22 1  o 425.555 2.9073 1812.86  17.494  424.164 4.1547 426.946 4.0678 -2.781921      5.814514 
1 1 1 3  22 3  o 142.604 1.5838 203.473  3.1912  141.797 2.2965 143.411 2.1816 -1.613602      3.167543 
1 1 1 3  22 5  o 196.594 1.8053 386.222  4.9877  198.244 2.7055 194.943 2.3910 3.301376       3.610602 
1 1 1 3  22 7  o 208.539 1.8218 434.316  5.3262  210.904 2.7550 206.174 2.3846 4.729919       3.643687 
1 1 1 3  22 9  o 285.806 2.1334 817.357  8.6122  286.135 3.1018 285.477 2.9300 0.6585083      4.266812 
1 1 1 3  22 11 o 478.266 3.1975 2292.33  21.613  469.812 4.6208 486.720 4.4209 -16.90878      6.395050 
1 1 1 3  22 13 o 265.139 2.1213 702.700  7.9205  268.243 3.1420 262.034 2.8510 6.209473       4.242674 
1 1 1 3  22 15 o 251.446 2.0949 632.768  7.4154  251.624 3.1212 251.268 2.7952 0.3556213      4.189879 
1 1 1 3  22 17 o 81.225  1.6221 65.792   1.8164  82.241  2.5621 80.209  1.9901 2.031815       3.244192 
1 1 1 3  22 19 o 267.536 2.2000 717.239  8.2691  265.750 3.3157 269.322 2.8924 -3.572144      4.399928 
1 1 1 3  22 21 o 125.439 1.7957 156.910  3.0880  127.025 2.8652 123.853 2.1653 3.172523       3.591307 
1 1 1 3  22 23 o 140.757 1.5788 198.176  3.0961  141.242 2.4412 140.271 2.0028 0.9702606      3.157629 
1 1 1 3  22 25 o 102.066 1.8674 104.392  2.6574  101.739 2.8869 102.393 2.3696 -0.6543350     3.734877 
1 1 1 3  22 27 o 94.747  1.7625 89.648   2.3556  90.408  2.4719 99.086  2.5131 -8.678009      3.525060 
1 1 1 3  22 29 o 134.131 1.6354 180.326  3.0885  134.691 2.1806 133.570 2.4379 1.120636       3.270893 
1 1 1 3  22 31 o 108.302 1.7519 117.640  2.6802  107.765 2.5477 108.840 2.4052 -1.075066      3.503739 
1 1 1 3  22 33 f 26.553  4.8152 7.4537   1.8057  26.216  6.3832 26.891  7.2109 -0.6749706     9.630339 
1 1 1 3  22 35 o 23.355  4.5649 5.6685   1.7145  28.632  5.7775 18.078  7.0693 10.55461       9.129900 
1 1 1 3  22 37 o 50.721  3.0212 26.419   2.1271  53.117  3.7264 48.325  4.7566 4.792084       6.042463 
1 1 1 3  22 39 o 37.102  4.4189 14.463   2.2123  35.214  5.4396 38.990  6.9653 -3.775894      8.837709 
1 1 1 3  22 41 o 28.625  5.1662 9.4956   2.0585  30.452  5.8708 26.798  8.5026 3.653448       10.33245 
1 1 1 3  22 43 o 34.717  3.9146 13.307   1.8495  30.347  6.1058 39.087  4.9007 -8.739485      7.829268 
1 1 1 3  22 45 o 22.141  5.5620 5.2231   2.4720  25.881  7.4758 18.400  8.2376 7.481087       11.12410 
1 1 1 3  22 47 o 17.363  5.0981 1.4634   2.3193  20.283  7.5445 14.443  6.8589 5.840241       10.19625 
1 1 1 3  23 0  o 324.099 3.4683 1051.23  22.475  324.099 3.4683 ?       ?      0.000000       0.000000 
1 1 1 3  23 2  o 239.444 2.0559 573.239  6.9451  237.078 2.8010 241.811 3.0102 -4.732483      4.111759 
1 1 1 3  23 4  f 213.667 1.8611 456.088  5.5927  211.060 2.4807 216.274 2.7752 -5.213867      3.722276 
1 1 1 3  23 6  o 150.137 1.6701 225.582  3.5411  149.370 2.4366 150.904 2.2848 -1.534698      3.340254 
1 1 1 3  23 8  o 172.027 1.7324 295.790  4.2054  174.250 2.5284 169.804 2.3690 4.445740       3.464766 
1 1 1 3  23 10 o 210.877 1.9816 445.079  5.8048  210.768 3.0900 210.985 2.4816 -0.2170410     3.963114 
1 1 1 3  23 12 o 252.001 2.0598 634.607  7.3289  258.415 2.9650 245.588 2.8599 12.82687       4.119510 
1 1 1 3  23 14 o 196.764 1.9045 387.444  5.2996  196.829 2.6925 196.699 2.6943 0.1297913      3.809011 
1 1 1 3  23 16 o 181.124 2.1395 330.201  4.9919  179.071 3.6726 183.177 2.1960 -4.105881      4.279091 
1 1 1 3  23 18 o 228.129 2.0590 521.147  6.6404  224.603 2.9565 231.656 2.8665 -7.053162      4.118004 
1 1 1 3  23 20 o 105.303 1.6852 109.917  2.3086  107.433 2.8528 103.173 1.7947 4.259460       3.370363 
1 1 1 3  23 22 o 57.945  2.1807 33.471   1.7787  61.628  3.1082 54.261  3.0595 7.366848       4.361326 
1 1 1 3  23 24 o 126.299 1.7183 159.871  3.0635  124.071 2.5217 128.526 2.3349 -4.455116      3.436661 
1 1 1 3  23 26 o 165.180 2.0971 273.549  4.8593  164.824 3.1766 165.535 2.7386 -0.7114716     4.194115 
1 1 1 3  23 28 o 69.034  1.9985 47.863   1.9469  70.749  2.7075 67.320  2.9402 3.428673       3.996928 
1 1 1 3  23 30 o 70.501  1.8913 49.857   1.8787  70.626  2.8026 70.377  2.5403 0.2483063      3.782581 
1 1 1 3  23 32 o 114.954 1.6577 132.532  2.6574  115.176 2.1066 114.731 2.5600 0.4455795      3.315335 
1 1 1 3  23 34 o 75.448  2.0381 57.270   2.1634  75.433  2.7087 75.463  3.0460 -0.3019714E-01 4.076164 
1 1 1 3  23 36 o 50.244  2.7398 25.567   1.9427  52.240  3.9112 48.248  3.8378 3.991703       5.479620 
1 1 1 3  23 38 o 31.764  5.2655 11.129   2.2042  31.975  5.8053 31.553  8.7863 0.4226475      10.53092 
1 1 1 3  23 40 o 20.258  5.0641 4.0886   1.8701  22.202  6.9776 18.314  7.3413 3.887573       10.12820 
1 1 1 3  23 42 o 16.635  5.0971 0.5747   2.2348  15.667  6.9893 17.603  7.4212 -1.936523      10.19429 
1 1 1 3  23 44 f 16.854  4.8575 1.4777   1.9702  18.903  6.9473 14.805  6.7910 4.098441       9.715084 
1 1 1 3  23 46 o 33.869  4.6509 14.177   2.1156  37.532  5.1036 30.205  7.7766 7.327162       9.301753 
1 1 1 3  24 1  o 117.835 1.6873 139.002  2.8094  115.044 2.4420 120.626 2.3290 -5.581200      3.374606 
1 1 1 3  24 3  o 55.361  2.3309 30.747   1.8192  53.572  3.4564 57.149  3.1283 -3.577419      4.661866 
1 1 1 3  24 5  o 53.335  2.3285 28.480   1.7553  53.456  3.2250 53.214  3.3597 0.2415543      4.657062 
1 1 1 3  24 7  o 76.953  1.8801 59.317   2.0432  74.588  2.7393 79.318  2.5760 -4.729469      3.760261 
1 1 1 3  24 9  o 189.659 1.7150 359.821  4.5893  190.311 2.5163 189.007 2.3310 1.303513       3.430032 
1 1 1 3  24 11 o 266.561 2.1684 711.267  8.1709  266.114 3.1192 267.008 3.0131 -0.8942871     4.336810 
1 1 1 3  24 13 o 96.392  1.7345 93.030   2.3625  94.107  2.5104 98.677  2.3941 -4.570595      3.469015 
1 1 1 3  24 15 o 77.995  2.1529 61.017   2.3469  77.169  3.3096 78.822  2.7542 -1.652542      4.305743 
1 1 1 3  24 17 o 223.617 2.1389 500.040  6.5675  224.632 3.4109 222.601 2.5815 2.030151       4.277718 
1 1 1 3  24 19 o 226.282 2.0098 513.210  6.3978  224.795 3.0108 227.768 2.6631 -2.972748      4.019614 
1 1 1 3  24 21 o 97.191  1.9704 92.766   2.5297  101.587 3.2683 92.794  2.2019 8.792984       3.940849 
1 1 1 3  24 23 o 70.534  2.3542 49.711   2.1851  70.997  3.9571 70.071  2.5514 0.9269180      4.708324 
1 1 1 3  24 25 o 41.461  3.1886 16.471   1.7618  46.558  5.0743 36.365  3.8628 10.19271       6.377282 
1 1 1 3  24 27 o 61.928  2.5167 38.532   2.2024  60.076  3.6136 63.779  3.5039 -3.703304      5.033443 
1 1 1 3  24 29 o 203.579 1.8881 415.448  5.4002  202.200 2.4946 204.958 2.8349 -2.757950      3.776243 
1 1 1 3  24 31 o 84.779  1.9171 72.105   2.2968  85.749  2.7551 83.808  2.6665 1.940681       3.834166 
1 1 1 3  24 33 o 82.331  1.8709 68.309   2.1690  79.915  2.7964 84.748  2.4863 -4.833252      3.741878 
1 1 1 3  24 35 o 98.302  1.8375 97.292   2.5524  98.609  2.6548 97.994  2.5411 0.6152496      3.674952 
1 1 1 3  24 37 o 34.927  5.4903 13.207   2.5109  37.805  8.7751 32.050  6.6010 5.755138       10.98068 
1 1 1 3  24 39 o 26.013  5.2858 7.7583   2.0157  26.474  6.5414 25.552  8.3048 0.9220829      10.57165 
1 1 1 3  24 41 o 20.142  5.6824 3.6503   2.3882  19.486  7.4681 20.799  8.5666 -1.313389      11.36486 
1 1 1 3  24 43 o 29.147  4.9836 10.639   2.1691  35.708  5.1856 22.585  8.5121 13.12281       9.967221 
1 1 1 3  24 45 o 20.410  5.2274 5.1520   1.9344  18.941  7.0549 21.879  7.7156 -2.937450      10.45471 
1 1 1 3  25 0  o 38.015  5.8473 15.196   4.2141  38.015  5.8473 ?       ?      0.000000       0.000000 
1 1 1 3  25 2  o 160.594 1.9573 258.440  4.4355  163.896 2.6491 157.291 2.8822 6.605377       3.914689 
1 1 1 3  25 4  o 267.327 2.4502 715.607  9.2513  266.649 3.5679 268.005 3.3592 -1.355408      4.900429 
1 1 1 3  25 6  o 262.196 2.4023 687.131  8.6855  263.836 3.7995 260.557 2.9406 3.279327       4.804563 
1 1 1 3  25 8  o 209.587 1.8853 439.514  5.5824  210.390 2.7314 208.785 2.5995 1.605515       3.770630 
1 1 1 3  25 10 o 121.518 1.8828 147.417  3.1862  123.004 2.9069 120.031 2.3938 2.972610       3.765675 
1 1 1 3  25 12 o 263.122 2.2889 693.375  8.4441  262.876 3.4734 263.367 2.9820 -0.4912415     4.577828 
1 1 1 3  25 14 o 252.556 2.3153 637.699  8.2409  248.078 3.1400 257.034 3.4033 -8.955963      4.630555 
1 1 1 3  25 16 f 178.139 1.8304 317.915  4.5751  177.336 2.7724 178.942 2.3907 -1.606476      3.660842 
1 1 1 3  25 18 o 59.904  2.4145 35.708   2.0113  61.911  3.7128 57.896  3.0880 4.014679       4.829094 
1 1 1 3  25 20 o 150.353 1.7534 226.219  3.6494  150.692 2.7542 150.015 2.1707 0.6764679      3.506750 
1 1 1 3  25 22 o 97.580  2.1160 96.477   2.8506  92.785  3.3720 102.375 2.5571 -9.589470      4.231911 
1 1 1 3  25 24 o 141.345 1.9170 200.047  3.8214  139.577 2.6075 143.112 2.8108 -3.534546      3.834002 
1 1 1 3  25 26 o 70.401  2.0924 49.636   2.0511  71.056  3.2350 69.747  2.6548 1.308525       4.184851 
1 1 1 3  25 28 o 64.871  2.7183 42.200   2.4640  66.301  4.1410 63.441  3.5226 2.860878       5.436636 
1 1 1 3  25 30 o 32.441  5.9426 10.648   2.3779  34.725  10.301 30.157  5.9278 4.567514       11.88513 
1 1 1 3  25 32 o 46.159  3.2324 22.132   2.0412  40.328  5.2248 51.991  3.8072 -11.66237      6.464752 
1 1 1 3  25 34 o 31.343  4.8619 11.104   2.1802  23.752  8.2888 38.934  5.0839 -15.18149      9.723762 
1 1 1 3  25 36 o 21.022  5.3275 4.2141   2.0432  22.800  7.6210 19.244  7.4463 3.555704       10.65492 
1 1 1 3  25 38 o 17.859  4.7398 2.8845   1.6226  17.792  6.8491 17.926  6.5537 -0.1337204     9.479514 
1 1 1 3  25 40 o 31.709  5.2200 11.855   2.2348  31.134  6.3723 32.285  8.2698 -1.150608      10.44005 
1 1 1 3  25 42 o 40.021  3.6678 17.481   2.0746  41.081  5.1290 38.960  5.2443 2.120838       7.335531 
1 1 1 3  25 44 o 31.133  5.1591 12.434   2.2183  31.461  6.6944 30.804  7.8517 0.6576424      10.31822 
1 1 1 3  26 1  o 48.363  3.0574 23.359   2.0629  54.494  4.1009 42.232  4.5357 12.26221       6.114723 
1 1 1 3  26 3  o 103.132 1.7944 106.260  2.6116  105.543 2.6014 100.722 2.4723 4.821365       3.588811 
1 1 1 3  26 5  o 90.598  2.0183 82.102   2.5824  91.687  2.9249 89.509  2.7820 2.177948       4.036642 
1 1 1 3  26 7  o 206.162 2.0112 425.944  5.8128  204.629 3.0579 207.695 2.6131 -3.065903      4.022320 
1 1 1 3  26 9  o 211.995 2.0926 449.733  6.1231  212.369 3.3072 211.620 2.5646 0.7494049      4.185115 
1 1 1 3  26 11 o 91.569  1.9588 83.599   2.4732  92.984  3.0901 90.154  2.4080 2.830658       3.917530 
1 1 1 3  26 13 o 138.034 1.8085 190.200  3.4549  139.679 2.8342 136.389 2.2471 3.289764       3.616908 
1 1 1 3  26 15 o 106.439 1.7662 113.976  2.5618  104.771 2.8643 108.108 2.0672 -3.337379      3.532355 
1 1 1 3  26 17 o 173.086 1.8436 300.435  4.3956  172.150 2.9301 174.021 2.2382 -1.871597      3.687128 
1 1 1 3  26 19 o 175.813 1.7910 310.154  4.4264  172.732 2.6984 178.894 2.3557 -6.161255      3.582002 
1 1 1 3  26 21 o 134.682 1.8939 181.662  3.6050  133.007 2.6403 136.358 2.7159 -3.351761      3.787770 
1 1 1 3  26 23 o 134.941 2.0766 182.134  3.8331  136.179 3.3290 133.704 2.4833 2.475082       4.153172 
1 1 1 3  26 25 o 114.754 1.8400 131.509  2.9110  116.571 2.9030 112.936 2.2615 3.634995       3.679902 
1 1 1 3  26 27 o 71.018  2.5792 50.303   2.3439  72.123  4.4265 69.914  2.6485 2.208717       5.158347 
1 1 1 3  26 29 o 42.913  3.2055 18.556   1.9344  45.023  4.6799 40.803  4.3816 4.220661       6.410958 
1 1 1 3  26 31 o 24.160  5.4311 6.0484   2.0993  23.128  7.9660 25.192  7.3844 -2.064201      10.86221 
1 1 1 3  26 33 o 18.071  4.9854 1.9972   1.9050  16.733  7.2470 19.409  6.8481 -2.675972      9.970777 
1 1 1 3  26 35 o 23.248  4.9954 5.7660   1.8830  19.049  7.1629 27.447  6.9648 -8.398111      9.990744 
1 1 1 3  26 37 o 21.190  5.2091 4.6549   1.9773  18.711  7.3951 23.670  7.3383 -4.959276      10.41817 
1 1 1 3  26 39 o 15.761  4.8707 0.2534   2.0511  15.947  7.1022 15.574  6.6673 0.3731060      9.741323 
1 1 1 3  26 41 o 33.541  4.2255 12.711   1.9218  33.524  5.1425 33.558  6.7063 -0.3451920E-01 8.451033 
1 1 1 3  26 43 o 30.291  5.7373 12.221   2.5383  24.168  7.9703 36.414  8.2549 -12.24644      11.47465 
1 1 1 3  27 0  o 65.338  3.2419 43.035   4.2141  65.338  3.2419 ?       ?      0.000000       0.000000 
1 1 1 3  27 2  o 75.375  2.0084 56.916   2.1385  76.520  2.7536 74.230  2.9246 2.289680       4.016896 
1 1 1 3  27 4  o 61.111  2.5813 37.416   2.1469  61.093  4.1805 61.129  3.0291 -0.3580093E-01 5.162563 
1 1 1 3  27 6  o 189.781 2.0699 360.636  5.5543  189.985 2.8903 189.576 2.9639 0.4093018      4.139868 
1 1 1 3  27 8  o 101.454 1.6574 103.344  2.3469  99.684  2.5621 103.224 2.1031 -3.539391      3.314744 
1 1 1 3  27 10 o 145.147 1.8736 211.047  3.8044  144.779 2.8666 145.515 2.4133 -0.7363434     3.747248 
1 1 1 3  27 12 f 78.992  2.4973 61.064   2.3397  81.714  4.4539 76.270  2.2603 5.444283       4.994651 
1 1 1 3  27 14 o 13.412  4.3989 -3.8664  2.0157  13.151  6.3223 13.672  6.1179 -0.5202417     8.797769 
1 1 1 3  27 16 o 103.980 1.9512 106.810  2.7119  107.569 3.2053 100.391 2.2261 7.178825       3.902484 
1 1 1 3  27 18 o 139.187 1.8219 192.747  3.3156  141.198 3.0750 137.177 1.9549 4.021332       3.643811 
1 1 1 3  27 20 o 88.164  2.0514 78.420   2.3854  86.849  3.4554 89.479  2.2121 -2.630867      4.102825 
1 1 1 3  27 22 o 72.114  2.3927 52.982   2.2779  69.535  4.0403 74.694  2.5645 -5.159378      4.785470 
1 1 1 3  27 24 o 95.094  2.5534 91.488   2.9359  94.090  4.5467 96.098  2.3255 -2.007881      5.106893 
1 1 1 3  27 26 o 56.836  2.9171 32.589   2.2117  56.639  4.8475 57.034  3.2466 -0.3957787     5.834275 
1 1 1 3  27 28 o 27.272  4.7014 7.9309   1.8147  23.581  6.8850 30.962  6.4038 -7.380428      9.402752 
1 1 1 3  27 30 o 20.222  4.9274 3.7626   1.7787  22.547  6.8000 17.896  7.1327 4.651836       9.854720 
1 1 1 3  27 32 o 20.003  4.8565 3.9587   1.6601  20.003  6.8681 20.003  6.8681 0.000000       9.713019 
1 1 1 3  27 34 o 37.763  3.4725 14.884   1.8495  35.623  5.0187 39.903  4.8004 -4.280354      6.944903 
1 1 1 3  27 36 o 37.004  3.7383 14.560   1.9427  40.339  5.0652 33.670  5.4994 6.668274       7.476591 
1 1 1 3  27 38 o 15.715  4.9246 -1.0000  2.2662  18.119  7.5767 13.311  6.2928 4.807931       9.849140 
1 1 1 3  27 40 o 20.293  5.7089 4.1412   2.3650  18.888  7.3248 21.698  8.7586 -2.810303      11.41778 
1 1 1 3  27 42 f 25.701  6.1795 9.3903   2.6689  26.949  7.5306 24.454  9.7998 2.495199       12.35904 
1 1 1 3  28 1  o 172.997 2.1197 300.338  5.1648  176.385 2.8236 169.609 3.1622 6.776138       4.239370 
1 1 1 3  28 3  o 206.552 2.2523 427.470  6.5710  206.486 3.0922 206.617 3.2757 -0.1308441     4.504672 
1 1 1 3  28 5  o 215.598 2.2000 465.628  6.6946  215.022 2.9992 216.175 3.2195 -1.153015      4.400015 
1 1 1 3  28 7  o 174.987 2.0320 306.310  4.9665  173.738 2.6093 176.236 3.1158 -2.498062      4.064082 
1 1 1 3  28 9  o 72.927  2.3526 53.290   2.4246  73.579  3.3843 72.275  3.2687 1.304138       4.705114 
1 1 1 3  28 11 o 225.018 2.3576 506.034  7.4632  219.622 3.1689 230.414 3.4916 -10.79242      4.715244 
1 1 1 3  28 13 o 225.899 2.2287 511.144  7.1123  224.260 3.0749 227.538 3.2271 -3.277969      4.457479 
1 1 1 3  28 15 o 117.596 1.9028 138.641  3.1577  118.797 2.5799 116.395 2.7977 2.402077       3.805637 
1 1 1 3  28 17 o 110.973 2.1506 124.119  3.3445  106.786 3.2886 115.159 2.7723 -8.373199      4.301214 
1 1 1 3  28 19 o 97.065  2.2167 94.435   3.0057  97.723  3.3976 96.407  2.8479 1.315186       4.433301 
1 1 1 3  28 21 o 112.936 1.9012 128.029  3.0299  111.907 2.7958 113.965 2.5772 -2.057747      3.802435 
1 1 1 3  28 23 o 98.886  2.1954 97.834   3.0316  100.939 3.3526 96.833  2.8354 4.105507       4.390805 
1 1 1 3  28 25 o 31.116  5.0347 10.199   2.0987  29.933  8.5383 32.300  5.3374 -2.366549      10.06931 
1 1 1 3  28 27 o 72.754  2.5493 53.477   2.6116  72.237  3.8008 73.271  3.3986 -1.033463      5.098655 
1 1 1 3  28 29 o 60.210  2.5556 36.733   2.1634  60.520  3.3761 59.900  3.8375 0.6200294      5.111187 
1 1 1 3  28 31 o 70.149  2.1899 49.815   2.1690  69.851  3.1993 70.447  2.9910 -0.5958786     4.379708 
1 1 1 3  28 33 o 23.694  5.2428 6.2229   2.0108  26.546  7.2527 20.843  7.5727 5.703287       10.48561 
1 1 1 3  28 35 o 46.217  3.2236 22.394   2.1051  45.664  4.4745 46.770  4.6417 -1.106030      6.447169 
1 1 1 3  28 37 o 57.394  2.5660 34.263   2.0746  55.136  3.8216 59.652  3.4252 -4.516060      5.131950 
1 1 1 3  28 39 o 20.294  5.5169 4.4659   2.2329  20.521  7.9068 20.067  7.6959 0.4543552      11.03380 
1 1 1 3  28 41 o 17.129  5.1295 2.3005   2.0813  15.694  6.6279 18.565  7.8305 -2.870977      10.25894 
1 1 1 3  29 0  o 153.125 2.5869 234.842  7.9175  153.125 2.5869 ?       ?      0.000000       0.000000 
1 1 1 3  29 2  f 103.322 1.9893 106.950  2.9048  106.101 2.7682 100.543 2.8578 5.557915       3.978680 
1 1 1 3  29 4  o 131.304 1.8955 172.922  3.5071  129.133 2.8184 133.475 2.5354 -4.342331      3.790966 
1 1 1 3  29 6  o 161.307 1.8767 260.701  4.2780  157.725 2.7123 164.890 2.5944 -7.164520      3.753361 
1 1 1 3  29 8  o 96.378  1.8294 93.094   2.4902  93.529  2.6625 99.227  2.5096 -5.697510      3.658775 
1 1 1 3  29 10 o 198.949 2.0130 396.929  5.6362  197.182 3.0115 200.717 2.6721 -3.535721      4.026084 
1 1 1 3  29 12 o 183.520 1.9815 337.353  5.1302  184.513 2.9068 182.528 2.6935 1.984543       3.962921 
1 1 1 3  29 14 o 41.603  3.7492 17.747   2.0813  39.704  6.2719 43.503  4.1097 -3.799213      7.498395 
1 1 1 3  29 16 o 88.031  1.9313 77.688   2.3735  88.117  2.9709 87.944  2.4685 0.1731110      3.862605 
1 1 1 3  29 18 o 30.177  5.3583 9.0242   2.0432  33.846  8.9262 26.508  5.9304 7.337757       10.71669 
1 1 1 3  29 20 o 46.465  3.3867 21.644   2.1246  47.471  5.5146 45.458  3.9329 2.013157       6.773359 
1 1 1 3  29 22 o 81.215  2.2250 66.490   2.4732  80.220  3.5817 82.210  2.6407 -1.990387      4.449950 
1 1 1 3  29 24 o 32.141  4.7188 10.862   2.0157  33.562  7.4269 30.720  5.8232 2.842321       9.437574 
1 1 1 3  29 26 o 21.685  5.3606 4.1586   2.0691  20.098  8.3345 23.271  6.7440 -3.172604      10.72129 
1 1 1 3  29 28 o 42.371  3.1609 19.057   1.7855  49.708  3.4682 35.033  5.2855 14.67548       6.321760 
1 1 1 3  29 30 o 26.784  5.0045 7.9925   1.9986  22.677  7.8475 30.891  6.2125 -8.214512      10.00891 
1 1 1 3  29 32 o 65.968  2.3673 44.557   2.1987  66.952  3.1471 64.984  3.5372 1.967430       4.734561 
1 1 1 3  29 34 o 99.268  2.0783 100.599  2.8880  100.062 2.6801 98.475  3.1771 1.587219       4.156549 
1 1 1 3  29 36 o 54.836  3.0156 31.481   2.2951  55.881  4.6847 53.791  3.7985 2.090656       6.031150 
1 1 1 3  29 38 o 71.229  2.6694 53.361   2.6680  71.145  4.0386 71.314  3.4919 -0.1687851     5.338865 
1 1 1 3  29 40 o 12.596  4.1557 -2.1423  1.8429  13.051  5.9472 12.141  5.8060 0.9096127      8.311391 
1 1 1 3  30 1  o 86.984  2.0740 75.267   2.5285  91.077  3.0847 82.890  2.7731 8.186539       4.147913 
1 1 1 3  30 3  o 61.861  2.4097 38.376   2.1051  61.804  3.5126 61.918  3.2999 -0.1136436     4.819495 
1 1 1 3  30 5  o 113.101 1.8777 128.134  2.9955  113.234 2.7630 112.969 2.5434 0.2651215      3.755427 
1 1 1 3  30 7  o 80.497  2.3650 65.082   2.6680  79.766  3.6021 81.228  3.0656 -1.462524      4.730070 
1 1 1 3  30 9  o 36.952  4.5330 14.268   2.2447  34.434  7.4428 39.471  5.1764 -5.037846      9.065917 
1 1 1 3  30 11 o 83.324  2.3228 69.184   2.6291  85.109  3.7511 81.539  2.7407 3.569641       4.645695 
1 1 1 3  30 13 o 162.574 1.9334 265.149  4.4264  161.903 2.8789 163.245 2.5815 -1.341537      3.866817 
1 1 1 3  30 15 o 95.098  1.9576 91.489   2.5383  92.373  3.1796 97.824  2.2845 -5.450981      3.915217 
1 1 1 3  30 17 o 78.560  2.3644 62.548   2.4519  76.937  3.9835 80.182  2.5482 -3.245239      4.728851 
1 1 1 3  30 19 o 104.898 2.0374 110.611  2.9670  104.187 3.1868 105.610 2.5393 -1.423218      4.074744 
1 1 1 3  30 21 o 57.397  2.8063 33.334   2.2555  56.525  4.2925 58.270  3.6160 -1.745342      5.612608 
1 1 1 3  30 23 o 26.264  5.6747 6.3514   2.2583  33.947  8.9140 18.581  7.0251 15.36671       11.34945 
1 1 1 3  30 25 o 20.560  5.4293 3.4387   2.0358  20.903  8.5168 20.217  6.7361 0.6869030      10.85870 
1 1 1 3  30 27 f 19.857  5.5106 2.8580   2.1367  21.332  8.5845 18.383  6.9117 2.948494       11.02111 
1 1 1 3  30 29 o 20.438  5.2722 3.9141   2.0108  22.040  7.5010 18.835  7.4107 3.205135       10.54433 
1 1 1 3  30 31 f 23.026  5.0224 5.8483   1.8830  26.567  6.9068 19.485  7.2935 7.081594       10.04489 
1 1 1 3  30 33 o 33.070  4.3378 12.127   1.9773  29.711  6.6189 36.430  5.6087 -6.718708      8.675644 
1 1 1 3  30 35 o 62.299  3.2497 41.500   2.8381  65.405  4.1978 59.194  4.9619 6.211021       6.499368 
1 1 1 3  30 37 o 44.854  3.6143 21.741   2.2543  48.091  5.4436 41.617  4.7562 6.474033       7.228660 
1 1 1 3  30 39 o 20.598  5.3868 4.9910   2.2827  24.175  7.7282 17.021  7.5064 7.154652       10.77364 
1 1 1 3  31 0  o 276.680 3.5321 767.482  19.538  276.680 3.5321 ?       ?      0.000000       0.000000 
1 1 1 3  31 2  o 208.477 2.0681 435.517  6.0895  211.426 2.9898 205.528 2.8581 5.897537       4.136145 
1 1 1 3  31 4  o 102.505 2.1592 105.373  3.1235  103.021 3.1609 101.989 2.9424 1.031799       4.318464 
1 1 1 3  31 6  o 60.143  2.7027 36.334   2.2968  61.939  3.8142 58.347  3.8301 3.591995       5.405342 
1 1 1 3  31 8  o 72.603  2.2738 52.754   2.3091  73.852  3.4583 71.355  2.9529 2.496925       4.547506 
1 1 1 3  31 10 o 92.958  2.0731 86.783   2.6952  92.451  3.1769 93.465  2.6643 -1.013443      4.146247 
1 1 1 3  31 12 o 62.500  2.4054 39.162   2.0587  63.014  3.8504 61.986  2.8842 1.027805       4.810862 
1 1 1 3  31 14 o 24.362  5.6656 5.7393   2.1367  26.348  8.9365 22.377  6.9666 3.970877       11.33111 
1 1 1 3  31 16 o 76.308  2.5980 56.966   2.5834  80.745  4.3492 71.871  2.8429 8.874367       5.195920 
1 1 1 3  31 18 o 131.076 2.0303 173.349  3.7131  127.887 3.1454 134.265 2.5680 -6.377701      4.060565 
1 1 1 3  31 20 o 84.679  2.3582 71.408   2.7165  87.795  3.7818 81.562  2.8182 6.233437       4.716386 
1 1 1 3  31 22 o 50.984  3.7568 26.450   2.1337  51.001  6.8857 50.967  3.0067 0.3363037E-01  7.513540 
1 1 1 3  31 24 o 60.324  2.9586 36.944   2.5023  61.653  4.4533 58.996  3.8962 2.656963       5.917108 
1 1 1 3  31 26 o 23.492  5.7179 5.5099   2.2407  23.221  9.0163 23.764  7.0346 -0.5424881     11.43584 
1 1 1 3  31 28 o 33.613  5.4162 13.035   2.4538  32.365  8.8314 34.860  6.2729 -2.495045      10.83249 
1 1 1 3  31 30 o 51.932  3.2420 28.413   2.3625  48.182  4.9032 55.682  4.2428 -7.499969      6.484048 
1 1 1 3  31 32 f 13.501  4.4453 -2.3674  1.9646  12.458  5.6914 14.545  6.8303 -2.086803      8.890685 
1 1 1 3  31 34 o 24.518  5.9076 7.4680   2.4545  24.451  8.1948 24.584  8.5114 -0.1328449     11.81517 
1 1 1 3  31 36 o 38.306  4.4603 17.112   2.3625  39.751  5.9431 36.861  6.6525 2.890285       8.920579 
1 1 1 3  31 38 o 29.295  5.2461 11.462   2.2024  26.018  7.7620 32.573  7.0596 -6.555040      10.49223 
1 1 1 3  32 1  o 79.314  2.1698 63.143   2.4112  79.331  3.2999 79.298  2.8182 0.3287506E-01  4.339571 
1 1 1 3  32 3  o 76.390  2.2779 58.625   2.4578  73.678  3.2931 79.102  3.1480 -5.424500      4.555762 
1 1 1 3  32 5  o 92.613  2.3938 86.214   3.1169  92.447  3.5915 92.779  3.1657 -0.3318939     4.787537 
1 1 1 3  32 7  o 126.705 2.0406 161.282  3.6115  126.108 3.1391 127.301 2.6082 -1.193016      4.081271 
1 1 1 3  32 9  o 109.353 1.9263 119.540  2.9275  111.235 2.9849 107.472 2.4359 3.763725       3.852647 
1 1 1 3  32 11 o 25.357  5.4664 6.6404   2.1271  25.501  8.0637 25.213  7.3825 0.2887077      10.93277 
1 1 1 3  32 13 o 39.529  4.6400 16.729   2.2986  36.230  8.1312 42.828  4.4726 -6.597523      9.280090 
1 1 1 3  32 15 o 58.553  2.7903 34.564   2.2702  58.819  4.3421 58.286  3.5055 0.5335503      5.580559 
1 1 1 3  32 17 o 106.274 2.1515 113.757  3.2090  105.954 3.2542 106.595 2.8153 -0.6412125     4.302975 
1 1 1 3  32 19 o 101.868 2.0930 103.807  2.9344  104.330 3.3048 99.406  2.5693 4.923653       4.186053 
1 1 1 3  32 21 o 108.015 2.0990 118.561  3.0231  105.778 3.5010 110.251 2.3165 -4.473068      4.198052 
1 1 1 3  32 23 o 53.363  3.7067 29.380   2.4628  53.068  6.4972 53.658  3.5699 -0.5898285     7.413344 
1 1 1 3  32 25 o 45.233  4.8967 23.736   2.4248  39.351  9.0988 51.114  3.6226 -11.76264      9.793459 
1 1 1 3  32 27 o 24.195  6.4782 5.9541   2.9571  25.143  9.8912 23.248  8.3685 1.895176       12.95636 
1 1 1 3  32 29 o 20.064  5.4142 3.7719   2.1385  19.715  7.6658 20.414  7.6479 -0.6990623     10.82838 
1 1 1 3  32 31 o 44.819  3.8455 21.903   2.3599  43.170  6.2120 46.468  4.5345 -3.297401      7.690920 
1 1 1 3  32 33 o 20.203  5.5012 3.9691   2.3469  17.718  7.7114 22.689  7.8479 -4.970909      11.00247 
1 1 1 3  32 35 o 20.335  5.3106 4.9410   2.0746  18.254  7.3978 22.416  7.6210 -4.161898      10.62111 
1 1 1 3  32 37 o 12.564  4.2648 -3.6958  2.1409  13.907  6.5669 11.222  5.4434 2.685518       8.529646 
1 1 1 3  33 0  o 139.036 2.9881 193.978  8.3006  139.036 2.9881 ?       ?      0.000000       0.000000 
1 1 1 3  33 2  o 122.782 1.9678 150.750  3.3918  125.839 2.9429 119.724 2.6132 6.114517       3.935700 
1 1 1 3  33 4  o 61.429  2.6183 37.789   2.2303  62.680  4.0747 60.179  3.2891 2.501114       5.236574 
1 1 1 3  33 6  o 111.112 2.1786 123.998  3.4014  111.080 3.2765 111.143 2.8724 -0.6332397E-01 4.357300 
1 1 1 3  33 8  f 54.973  3.1457 30.359   2.3658  55.820  5.0330 54.126  3.7749 1.694328       6.291311 
1 1 1 3  33 10 o 57.355  2.8209 33.328   2.2447  56.192  4.4315 58.518  3.4916 -2.326115      5.641774 
1 1 1 3  33 12 o 36.376  4.5639 13.976   2.1691  34.911  7.7052 37.840  4.8934 -2.929482      9.127741 
1 1 1 3  33 14 o 56.475  3.6328 33.496   2.6253  52.594  6.3129 60.356  3.5968 -7.762394      7.265682 
1 1 1 3  33 16 o 83.452  2.4703 70.250   2.8768  84.057  3.7981 82.848  3.1599 1.208969       4.940636 
1 1 1 3  33 18 o 68.258  2.8593 46.920   2.5781  69.515  4.7763 67.001  3.1448 2.513199       5.718642 
1 1 1 3  33 20 o 61.356  3.1690 38.906   2.6072  59.458  5.2620 63.255  3.5330 -3.797268      6.338039 
1 1 1 3  33 22 o 46.611  3.7583 23.195   2.3003  42.847  6.4078 50.375  3.9292 -7.528080      7.516589 
1 1 1 3  33 24 o 34.962  5.1156 14.016   2.1692  32.154  9.2388 37.769  4.3954 -5.614925      10.23112 
1 1 1 3  33 26 o 18.940  5.1811 1.6552   2.2544  16.218  7.6431 21.663  6.9970 -5.445480      10.36218 
1 1 1 3  33 28 o 55.136  2.9704 31.868   2.2702  55.485  3.6825 54.787  4.6617 0.6971817      5.940703 
1 1 1 3  33 30 o 54.277  2.8758 30.991   2.2024  52.767  4.2352 55.787  3.8914 -3.020241      5.751519 
1 1 1 3  33 32 o 33.812  4.3309 13.196   2.0067  35.638  5.3750 31.987  6.7924 3.650959       8.661841 
1 1 1 3  33 34 o 19.930  5.7908 4.4477   2.5789  18.947  7.7090 20.914  8.6432 -1.967083      11.58166 
1 1 1 3  33 36 o 20.174  5.5218 4.6824   2.5540  16.304  7.5246 24.043  8.0833 -7.739309      11.04356 
1 1 1 3  34 1  o 80.995  2.2298 65.913   2.5476  79.680  3.0451 82.311  3.2580 -2.630844      4.459519 
1 1 1 3  34 3  o 28.743  5.2897 8.8658   2.1690  29.244  7.5807 28.242  7.3796 1.002020       10.57945 
1 1 1 3  34 5  o 79.404  2.1636 63.336   2.4112  80.409  3.2557 78.399  2.8505 2.010201       4.327231 
1 1 1 3  34 7  o 29.799  5.0937 9.3793   2.1004  33.538  7.4314 26.060  6.9683 7.478378       10.18736 
1 1 1 3  34 9  o 34.773  4.5582 12.785   2.1634  32.481  7.2609 37.065  5.5125 -4.583954      9.116385 
1 1 1 3  34 11 o 59.396  3.1079 35.662   2.4247  59.792  5.2326 58.999  3.3549 0.7929726      6.215734 
1 1 1 3  34 13 f 59.458  2.8686 36.073   2.3906  56.791  4.3848 62.124  3.7001 -5.332508      5.737299 
1 1 1 3  34 15 o 49.356  3.9830 25.208   2.6051  48.788  6.6745 49.924  4.3484 -1.135864      7.966049 
1 1 1 3  34 17 o 50.151  3.5588 25.086   2.3762  54.048  5.7887 46.254  4.1413 7.794071       7.117555 
1 1 1 3  34 19 o 77.543  2.6602 60.374   2.8038  80.890  4.2625 74.195  3.1841 6.695213       5.320457 
1 1 1 3  34 21 o 46.686  3.9200 23.458   2.4099  44.168  6.6499 49.205  4.1525 -5.037247      7.839920 
1 1 1 3  34 23 o 56.295  3.3583 32.814   2.4621  57.300  5.6830 55.291  3.5799 2.009895       6.716564 
1 1 1 3  34 25 o 28.042  6.2007 9.3408   2.6516  27.393  10.011 28.692  7.3191 -1.299131      12.40144 
1 1 1 3  34 27 o 22.614  5.8171 5.6968   2.3384  22.952  8.9947 22.277  7.3790 0.6745892      11.63421 
1 1 1 3  34 29 f 25.155  5.7404 7.8247   2.2951  22.764  7.6210 27.546  8.5866 -4.781950      11.48083 
1 1 1 3  34 31 o 30.835  4.4991 11.141   1.9344  25.369  6.8759 36.302  5.8043 -10.93328      8.998186 
1 1 1 3  34 33 o 13.976  4.5524 -1.2151  2.0993  13.643  6.4035 14.310  6.4724 -0.6667585     9.104740 
1 1 1 3  35 0  o 199.178 2.9186 398.299  11.621  199.178 2.9186 ?       ?      0.000000       0.000000 
1 1 1 3  35 2  o 121.231 1.9003 147.397  3.2363  118.757 2.5270 123.705 2.8388 -4.947319      3.800601 
1 1 1 3  35 4  o 24.571  5.7158 6.1846   2.2968  24.034  7.9703 25.107  8.1948 -1.073513      11.43154 
1 1 1 3  35 6  o 81.198  2.5858 66.639   2.9660  78.398  3.6650 83.998  3.6487 -5.600021      5.171534 
1 1 1 3  35 8  o 58.257  3.4111 34.444   2.7731  60.304  5.1882 56.210  4.4301 4.093697       6.822235 
1 1 1 3  35 10 o 33.247  4.6670 11.731   2.1004  32.922  7.5300 33.572  5.5155 -0.6495705     9.333907 
1 1 1 3  35 12 o 94.596  2.1323 90.473   2.8238  94.114  3.2565 95.077  2.7534 -0.9630814     4.264506 
1 1 1 3  35 14 f 83.023  2.6026 70.577   2.8451  81.367  4.3944 84.680  2.7899 -3.312653      5.205241 
1 1 1 3  35 16 o 44.026  3.9299 20.318   2.3225  43.193  6.5044 44.858  4.4125 -1.665928      7.859847 
1 1 1 3  35 18 o 47.587  3.7770 23.317   2.4758  52.416  5.7253 42.758  4.9278 9.657227       7.554021 
1 1 1 3  35 20 o 24.421  6.1347 6.4548   2.5971  24.278  9.5420 24.564  7.7127 -0.2860699     12.26931 
1 1 1 3  35 22 o 24.796  6.2600 6.7549   2.6450  27.733  9.7782 21.859  7.8191 5.873343       12.52006 
1 1 1 3  35 24 f 34.559  5.5672 15.409   2.4689  27.884  10.189 41.235  4.4905 -13.35084      11.13445 
1 1 1 3  35 26 o 29.866  5.8228 11.275   2.4789  27.119  9.9206 32.613  6.0995 -5.493793      11.64567 
1 1 1 3  35 28 o 33.885  4.7500 13.557   2.1469  35.226  5.2566 32.544  7.9133 2.681610       9.500049 
1 1 1 3  35 30 o 17.245  5.1597 2.3212   2.1634  16.306  6.9929 18.184  7.5886 -1.878311      10.31930 
1 1 1 3  35 32 f 14.011  4.5835 -1.4867  2.1156  16.404  7.2630 11.619  5.5933 4.785454       9.167100 
1 1 1 3  36 1  o 63.646  2.6952 41.032   2.4196  66.803  3.8232 60.488  3.8001 6.315063       5.390494 
1 1 1 3  36 3  o 25.773  5.7364 7.1478   2.3301  26.167  8.1570 25.378  8.0677 0.7895718      11.47279 
1 1 1 3  36 5  f 42.870  4.1510 18.892   2.4894  46.027  6.1039 39.713  5.6273 6.313503       8.302020 
1 1 1 3  36 7  o 26.194  5.2171 7.4429   2.1899  21.084  8.7266 31.303  5.7198 -10.21890      10.43410 
1 1 1 3  36 9  o 23.882  5.9166 5.5715   2.3774  23.748  9.4141 24.016  7.1693 -0.2679062     11.83317 
1 1 1 3  36 11 o 53.397  3.5772 29.499   2.3774  52.912  6.2750 53.881  3.4366 -0.9690742     7.154404 
1 1 1 3  36 13 o 89.839  2.5769 84.066   3.0674  85.236  4.3448 94.443  2.7719 -9.207047      5.153708 
1 1 1 3  36 15 o 72.483  3.0247 55.039   2.8909  69.939  5.1125 75.028  3.2339 -5.089088      6.049460 
1 1 1 3  36 17 f 53.325  4.0132 29.292   2.8551  58.169  6.4763 48.480  4.7413 9.688408       8.026361 
1 1 1 3  36 19 o 23.914  6.4759 5.7099   2.8372  24.752  10.385 23.076  7.7392 1.676445       12.95171 
1 1 1 3  36 21 f 44.108  4.9807 22.410   2.7016  42.120  8.7777 46.095  4.7096 -3.975231      9.961359 
1 1 1 3  36 23 o 45.783  5.3207 23.471   2.6074  46.221  9.8268 45.346  4.0835 0.8750572      10.64146 
1 1 1 3  36 25 o 16.058  5.1167 -0.2014  2.2544  17.288  7.9909 14.829  6.3929 2.458959       10.23340 
1 1 1 3  36 27 o 36.590  6.1308 18.279   2.7556  31.601  11.300 41.579  4.7605 -9.978170      12.26153 
1 1 1 3  36 29 o 39.601  3.9537 18.143   2.1913  40.208  5.0816 38.995  6.0585 1.213409       7.907451 
1 1 1 3  37 0  o 42.946  6.1346 19.538   5.1080  42.946  6.1346 ?       ?      0.000000       0.000000 
1 1 1 3  37 2  o 37.237  5.2141 15.335   2.6463  35.373  7.4536 39.101  7.2932 -3.727345      10.42821 
1 1 1 3  37 4  o 37.135  4.5704 14.910   2.3301  33.779  7.0367 40.492  5.8344 -6.713352      9.140821 
1 1 1 3  37 6  o 20.951  5.6062 3.7375   2.0684  24.822  9.0734 17.080  6.5873 7.741699       11.21245 
1 1 1 3  37 8  o 19.866  5.5485 3.0876   2.2951  19.727  8.1569 20.004  7.5238 -0.2769566     11.09700 
1 1 1 3  37 10 o 52.641  3.7275 29.076   2.4978  52.533  6.4418 52.748  3.7525 -0.2145500     7.455029 
1 1 1 3  37 12 o 57.700  3.1897 34.427   2.5193  58.974  5.0887 56.427  3.8473 2.546764       6.379375 
1 1 1 3  37 14 f 26.266  5.8774 7.6928   2.6402  32.468  8.5386 20.063  8.0788 12.40417       11.75477 
1 1 1 3  37 16 o 63.137  3.2578 42.186   2.7807  60.734  5.3617 65.540  3.7021 -4.805756      6.515622 
1 1 1 3  37 18 o 40.746  5.6364 19.877   2.7503  38.335  10.161 43.158  4.8823 -4.822674      11.27285 
1 1 1 3  37 20 o 32.351  5.8280 13.454   2.4680  26.864  10.729 37.839  4.5560 -10.97570      11.65595 
1 1 1 3  37 22 o 30.241  5.6577 11.382   2.3083  29.353  9.6211 31.128  5.9559 -1.774881      11.31537 
1 1 1 3  37 24 o 22.249  6.2082 5.2613   2.6689  27.119  10.073 17.379  7.2599 9.739843       12.41640 
1 1 1 3  37 26 o 15.601  5.2604 -2.1682  2.7347  18.325  8.5729 12.878  6.0986 5.446716       10.52079 
1 1 1 3  37 28 o 23.017  5.6599 7.5092   2.2303  23.619  8.4778 22.415  7.5010 1.204685       11.31983 
1 1 1 3  38 1  o 94.365  2.2727 90.920   3.0326  94.250  3.1840 94.479  3.2439 -0.2288055     4.545446 
1 1 1 3  38 3  o 86.390  2.4170 76.698   2.9316  83.566  3.6675 89.214  3.1491 -5.648178      4.833998 
1 1 1 3  38 5  o 64.357  2.9797 42.958   2.5386  63.933  4.9935 64.781  3.2526 -0.8481407     5.959402 
1 1 1 3  38 7  o 22.926  5.8190 5.6457   2.4246  21.682  8.2636 24.169  8.1948 -2.486345      11.63794 
1 1 1 3  38 9  o 22.018  5.9064 4.5462   2.4519  26.003  9.2916 18.033  7.2944 7.969988       11.81282 
1 1 1 3  38 11 o 25.708  5.7220 7.2521   2.3658  31.620  8.6414 19.796  7.5026 11.82385       11.44390 
1 1 1 3  38 13 o 55.829  3.7424 33.025   2.7505  57.060  6.2664 54.599  4.0931 2.461407       7.484741 
1 1 1 3  38 15 o 56.716  4.0921 34.901   3.2508  61.084  5.9581 52.348  5.6108 8.736660       8.184153 
1 1 1 3  38 17 f 39.974  5.4412 19.820   2.5642  34.664  9.9660 45.284  4.3710 -10.61973      10.88239 
1 1 1 3  38 19 o 30.805  6.0367 12.468   2.7572  27.997  9.5263 33.613  7.4173 -5.616146      12.07336 
1 1 1 3  38 21 o 32.488  5.3592 13.414   2.2544  28.486  9.6211 36.490  4.7244 -8.004557      10.71846 
1 1 1 3  38 23 o 31.408  5.9624 14.105   2.7805  26.288  10.437 36.528  5.7684 -10.23929      11.92476 
1 1 1 3  38 25 o 30.436  5.3724 13.594   2.5250  22.470  9.5170 38.402  4.9880 -15.93246      10.74490 
1 1 1 3  39 0  o 24.514  10.220 9.1945   4.9803  24.514  10.220 ?       ?      0.000000       0.000000 
1 1 1 3  39 2  o 63.534  2.9822 41.877   2.6680  66.259  4.3364 60.810  4.0950 5.448376       5.964359 
1 1 1 3  39 4  o 50.553  3.7997 28.238   2.4758  45.578  6.5843 55.529  3.7945 -9.950768      7.599406 
1 1 1 3  39 6  o 30.838  6.1095 11.923   2.7825  28.395  9.8005 33.282  7.2977 -4.886808      12.21909 
1 1 1 3  39 8  o 43.646  5.0376 21.660   2.8177  44.127  8.5530 43.165  5.3252 0.9615898      10.07529 
1 1 1 3  39 10 o 40.725  4.2613 18.120   2.4247  43.052  6.3773 38.398  5.6537 4.653584       8.522581 
1 1 1 3  39 12 o 19.780  5.7202 3.2244   2.5141  20.113  8.4440 19.447  7.7189 0.6658878      11.44039 
1 1 1 3  39 14 o 20.756  6.2703 3.1612   3.2363  22.112  9.3115 19.401  8.4000 2.711061       12.54051 
1 1 1 3  39 16 o 21.332  5.8833 4.5706   2.5681  20.420  9.1654 22.243  7.3790 -1.822802      11.76664 
1 1 1 3  39 18 o 18.064  5.4848 2.1370   2.3439  19.515  8.5565 16.614  6.8643 2.900677       10.96956 
1 1 1 3  39 20 o 19.430  5.8817 3.6089   2.5818  21.134  9.3737 17.726  7.1071 3.408184       11.76338 
1 1 1 3  39 22 o 23.453  5.2193 7.1871   2.3126  18.308  8.3962 28.599  6.2024 -10.29141      10.43869 
1 1 1 3  40 1  o 34.278  4.8214 13.540   2.2915  39.209  6.1882 29.347  7.3953 9.862118       9.642833 
1 1 1 3  40 3  o 35.525  5.5437 15.362   2.7043  34.257  8.4329 36.793  7.1983 -2.536018      11.08735 
1 1 1 3  40 5  o 57.198  3.5509 35.216   2.8676  58.841  5.1001 55.555  4.9420 3.285824       7.101765 
1 1 1 3  40 7  o 53.115  4.5137 32.452   3.1331  48.743  7.7286 57.487  4.6650 -8.743027      9.027328 
1 1 1 3  40 9  o 20.515  5.7319 4.0013   2.5540  18.769  8.1743 22.261  8.0375 -3.491518      11.46388 
1 1 1 3  40 11 o 22.531  5.8635 6.0633   2.3882  24.108  8.9508 20.953  7.5767 3.154987       11.72699 
1 1 1 3  40 13 o 29.982  6.9852 12.962   3.4479  31.397  9.8678 28.567  9.8894 2.830383       13.97044 
1 1 1 3  40 15 o 38.941  5.8881 20.196   3.0442  35.563  10.112 42.319  6.0352 -6.755497      11.77612 
1 1 1 3  40 17 o 33.053  6.2118 14.867   2.8177  37.308  9.6756 28.797  7.7927 8.511219       12.42351 
1 1 1 3  40 19 o 30.342  5.9182 13.655   2.6689  26.205  9.9893 34.478  6.3492 -8.273458      11.83632 
1 1 1 3  41 0  o 14.019  8.8833 2.1709   5.2357  14.019  8.8833 ?       ?      0.000000       0.000000 
1 1 1 3  41 2  o 29.671  5.9279 11.347   2.6574  35.064  8.4611 24.278  8.3048 10.78617       11.85583 
1 1 1 3  41 4  o 59.644  3.3310 38.447   2.8036  60.439  4.8597 58.849  4.5570 1.589600       6.662003 
1 1 1 3  41 6  o 64.220  3.7636 45.308   3.2181  64.241  6.2617 64.199  4.1772 0.4261780E-01  7.527142 
1 1 1 3  41 8  o 59.150  3.4403 38.309   2.7807  58.710  5.5466 59.591  4.0716 -0.8810654     6.880589 
1 1 1 3  41 10 o 17.137  5.3128 1.5373   2.4312  17.542  7.8729 16.732  7.1359 0.8109150      10.62559 
1 1 1 3  41 12 o 18.536  5.8678 1.8561   3.1103  18.998  8.7364 18.074  7.8358 0.9238243      11.73563 
1 1 1 3  41 14 o 22.709  6.0118 6.7029   2.9670  18.187  8.2784 27.231  8.7200 -9.043892      12.02368 
1 1 1 3  41 16 f 19.005  5.8107 3.6549   2.5100  22.713  9.5179 15.298  6.6682 7.414791       11.62133 
1 1 1 3  42 1  o 17.254  5.3874 1.5037   2.4966  15.348  6.8667 19.160  8.3032 -3.812267      10.77475 
1 1 1 3  42 3  o 19.159  5.7610 3.4087   2.7383  18.922  8.4394 19.395  7.8444 -0.4732742     11.52207 
1 1 1 3  42 5  o 21.523  6.0255 4.9963   3.1127  18.306  8.6278 24.740  8.4134 -6.433977      12.05093 
1 1 1 3  42 7  o 19.427  5.9739 3.5144   3.1078  20.327  8.4836 18.527  8.4130 1.799822       11.94779 
1 1 1 3  42 9  o 27.878  5.9768 11.720   2.7314  23.711  9.5747 32.045  7.1565 -8.333508      11.95369 
1 1 1 3  42 11 o 17.543  5.6682 1.3568   2.9318  20.170  8.9979 14.916  6.8957 5.254503       11.33639 
1 1 1 4  1  1  o 322.111 2.3002 1039.95  10.411  327.892 3.0183 316.331 3.4718 11.56055       4.600372 
1 1 1 4  1  5  o 852.723 8.7344 7297.06  100.869 846.970 14.263 858.476 10.085 -11.50665      17.46870 
1 1 1 4  1  7  o 597.050 4.1385 3555.15  34.811  614.578 6.0570 579.522 5.6411 35.05640       8.277011 
1 1 1 4  1  9  o 414.706 2.6183 1719.65  15.351  411.597 3.6610 417.815 3.7441 -6.218170      5.236540 
1 1 1 4  1  11 o 517.457 3.2066 2678.44  23.464  517.808 4.5624 517.107 4.5069 0.7010498      6.413101 
1 1 1 4  1  13 o 360.296 2.4195 1298.80  12.320  362.699 3.3448 357.894 3.4968 4.805450       4.838912 
1 1 1 4  1  15 o 467.460 3.0167 2187.79  19.527  469.085 3.7296 465.835 4.7425 3.250824       6.033355 
1 1 1 4  1  17 o 381.043 2.5008 1448.26  13.203  376.727 3.1186 385.360 3.9103 -8.632751      5.001585 
1 1 1 4  1  19 o 304.348 3.6953 924.766  15.249  302.602 4.3045 306.095 6.0076 -3.492920      7.390535 
1 1 1 4  1  21 o 889.665 5.3649 7925.65  65.622  891.463 6.4820 887.867 8.5506 3.595703       10.72985 
1 1 1 4  1  23 o 154.460 1.4288 238.935  3.0569  155.392 1.7669 153.529 2.2458 1.863159       2.857511 
1 1 1 4  1  25 o 417.432 2.7438 1738.02  15.682  413.128 3.2920 421.737 4.3906 -8.609802      5.487646 
1 1 1 4  1  27 o 388.789 2.5736 1509.53  13.786  385.971 3.1431 391.608 4.0762 -5.636566      5.147281 
1 1 1 4  1  29 o 123.541 2.1187 148.329  3.5173  133.087 3.4063 113.995 2.5205 19.09190       4.237478 
1 1 1 4  1  31 o 380.788 2.9152 1446.42  14.644  377.412 3.1806 384.165 4.8865 -6.753418      5.830395 
1 1 1 4  1  33 o 50.511  1.9971 25.836   1.4018  54.178  2.4749 46.843  3.1351 7.335350       3.994212 
1 1 1 4  1  35 o 151.328 1.5388 229.589  3.1950  152.375 1.8438 150.282 2.4643 2.093399       3.077660 
1 1 1 4  1  37 o 82.875  1.7361 68.954   1.8784  83.397  1.8375 82.352  2.9463 1.044273       3.472299 
1 1 1 4  1  39 o 44.173  2.5707 20.571   1.4672  49.610  2.5741 38.736  4.4505 10.87364       5.141334 
1 1 1 4  1  41 o 107.580 1.5391 116.484  2.2348  109.093 1.7559 106.066 2.5283 3.026596       3.078235 
1 1 1 4  1  43 o 81.200  1.8653 66.149   2.0374  81.246  2.1219 81.153  3.0685 0.9319305E-01  3.730683 
1 1 1 4  1  45 o 78.061  1.7841 60.899   1.8841  76.938  2.0747 79.183  2.9029 -2.244370      3.568117 
1 1 1 4  1  47 o 14.936  4.5871 -0.2372  1.7513  13.561  5.9371 16.312  6.9941 -2.751229      9.174247 
1 1 1 4  1  49 o 17.070  4.7383 1.3792   1.6857  12.253  5.5018 21.887  7.7159 -9.634198      9.476527 
1 1 1 4  1  51 o 37.317  4.2690 15.245   1.9832  38.223  4.1761 36.410  7.4470 1.813038       8.538012 
1 1 1 4  1  53 o 19.023  4.8553 2.7466   2.0157  23.368  6.9050 14.677  6.8276 8.690208       9.710538 
1 1 1 4  1  55 o 21.683  4.9611 5.9655   1.7513  22.906  6.4290 20.460  7.5576 2.445948       9.922187 
1 1 1 4  2  2  o 759.781 6.3077 5776.09  67.754  765.774 9.0134 753.788 8.8264 11.98621       12.61532 
1 1 1 4  2  4  o 741.192 6.1274 5494.22  64.194  727.554 8.6093 754.829 8.7212 -27.27448      12.25474 
1 1 1 4  2  6  o 278.175 3.4083 777.306  13.146  283.620 4.2099 272.730 5.3613 10.89014       6.816611 
1 1 1 4  2  8  o 334.992 2.5127 1120.26  11.883  345.007 3.6089 324.978 3.4973 20.02911       5.025426 
1 1 1 4  2  10 o 623.400 3.7262 3887.62  32.851  622.279 5.2638 624.521 5.2755 -2.241760      7.452413 
1 1 1 4  2  12 o 175.137 2.4236 301.380  5.2203  170.062 2.3278 180.211 4.2517 -10.14810      4.847250 
1 1 1 4  2  14 o 695.667 4.4974 4847.18  44.016  692.287 6.7329 699.048 5.9644 -6.760742      8.994792 
1 1 1 4  2  16 o 588.945 3.8113 3448.86  30.672  577.306 4.5678 600.584 6.1024 -23.27808      7.622630 
1 1 1 4  2  18 o 624.499 3.8055 3906.49  32.860  627.958 4.6773 621.039 6.0042 6.918884       7.611016 
1 1 1 4  2  20 o 380.134 2.4385 1448.18  12.913  384.094 3.0754 376.173 3.7851 7.921539       4.877004 
1 1 1 4  2  22 o 147.250 1.4593 217.805  2.9521  149.658 1.7492 144.842 2.3364 4.816040       2.918656 
1 1 1 4  2  24 o 312.386 2.2011 970.968  9.3771  307.147 2.6193 317.624 3.5380 -10.47714      4.402111 
1 1 1 4  2  26 o 112.456 1.2352 126.744  1.9218  113.451 1.5196 111.461 1.9477 1.990158       2.470342 
1 1 1 4  2  28 o 353.392 2.3948 1241.73  11.546  346.299 2.8579 360.484 3.8436 -14.18503      4.789647 
1 1 1 4  2  30 o 135.072 2.2536 179.847  3.6172  132.103 2.0300 138.040 4.0242 -5.936707      4.507229 
1 1 1 4  2  32 o 270.507 2.1965 733.668  8.1233  272.032 2.6054 268.981 3.5369 3.051392       4.392933 
1 1 1 4  2  34 o 82.635  1.4962 68.845   1.7027  85.151  1.7996 80.119  2.3908 5.031960       2.992471 
1 1 1 4  2  36 f 166.617 1.6594 278.505  3.7867  167.978 1.9766 165.255 2.6660 2.723419       3.318789 
1 1 1 4  2  38 o 79.339  1.6535 62.990   1.8429  79.063  2.1805 79.614  2.4862 -0.5506363     3.306919 
1 1 1 4  2  40 o 181.059 1.6964 328.901  4.2567  182.379 2.1006 179.739 2.6643 2.639984       3.392776 
1 1 1 4  2  42 o 65.193  2.0457 42.652   1.8787  65.205  2.7418 65.182  3.0367 0.2338409E-01  4.091344 
1 1 1 4  2  44 o 41.230  2.7847 16.766   1.5775  38.036  3.5253 44.425  4.3118 -6.389622      5.569457 
1 1 1 4  2  46 o 65.944  1.8683 44.047   1.7145  68.489  2.3307 63.398  2.9207 5.091003       3.736640 
1 1 1 4  2  48 o 106.274 1.8566 114.234  2.7683  108.460 2.4137 104.088 2.8218 4.371742       3.713235 
1 1 1 4  2  50 f 53.483  2.5257 28.958   1.8815  49.440  3.3579 57.526  3.7738 -8.086861      5.051395 
1 1 1 4  2  52 o 39.474  3.4062 16.776   1.7251  40.992  3.4268 37.956  5.8877 3.035240       6.812380 
1 1 1 4  2  54 o 20.843  5.4436 4.5645   2.0710  21.745  6.3564 19.942  8.8390 1.802385       10.88724 
1 1 1 4  2  56 o 28.673  5.1642 10.935   1.9265  31.212  4.5005 26.133  9.2963 5.078650       10.32838 
1 1 1 4  3  1  o 1077.86 17.392 11651.81 374.930 ?       ?      1077.86 17.392 ?              ?        
1 1 1 4  3  3  o 478.369 3.7521 2262.74  23.473  466.458 4.0518 490.281 6.3163 -23.82254      7.504134 
1 1 1 4  3  5  o 547.701 3.6042 3000.19  27.679  547.459 4.7002 547.943 5.4651 -0.4840698     7.208308 
1 1 1 4  3  7  o 1198.61 19.460 14411.17 466.491 1198.61 19.460 ?       ?      ?              ?        
1 1 1 4  3  9  f 711.226 4.2500 5060.33  42.747  713.900 6.0192 708.552 6.0016 5.347595       8.500019 
1 1 1 4  3  11 o 476.077 3.0301 2266.78  20.396  468.153 4.2962 484.001 4.2743 -15.84845      6.060278 
1 1 1 4  3  13 o 467.552 3.0180 2187.02  19.949  467.467 4.3298 467.637 4.2054 -0.1697388     6.035964 
1 1 1 4  3  15 o 127.380 1.1873 162.068  2.1347  125.274 1.6310 129.485 1.7259 -4.210030      2.374623 
1 1 1 4  3  17 o 295.000 2.1304 869.669  8.6443  294.171 2.5829 295.829 3.3886 -1.658295      4.260782 
1 1 1 4  3  21 o 357.622 2.5163 1281.73  12.526  361.164 3.1646 354.080 3.9131 7.083405       5.032579 
1 1 1 4  3  23 o 205.188 1.6283 421.739  4.6441  206.730 2.0385 203.645 2.5397 3.085617       3.256565 
1 1 1 4  3  25 o 168.504 1.4855 282.409  3.4177  165.496 1.7747 171.513 2.3826 -6.016800      2.970923 
1 1 1 4  3  27 o 113.390 1.3712 129.660  2.1540  117.756 1.6809 109.024 2.1669 8.731552       2.742436 
1 1 1 4  3  29 o 265.981 2.0717 708.864  7.7104  268.285 2.6655 263.677 3.1722 4.608307       4.143437 
1 1 1 4  3  31 o 68.145  1.8475 47.502   1.5902  71.012  1.7983 65.277  3.2279 5.734459       3.694992 
1 1 1 4  3  33 o 168.297 1.6343 281.812  3.7677  165.124 1.9721 171.470 2.6066 -6.345306      3.268553 
1 1 1 4  3  35 o 85.990  1.5939 74.216   1.8815  86.926  1.9098 85.054  2.5524 1.871902       3.187798 
1 1 1 4  3  37 o 53.261  1.9625 28.355   1.4436  52.852  2.4162 53.670  3.0932 -0.8177261     3.925032 
1 1 1 4  3  39 f 150.732 1.6602 227.882  3.4700  151.917 2.0595 149.547 2.6045 2.370377       3.320321 
1 1 1 4  3  41 o 84.902  1.5391 72.427   1.7744  85.714  1.7878 84.090  2.5057 1.624435       3.078136 
1 1 1 4  3  43 o 93.219  1.7277 87.331   2.2555  94.573  2.2280 91.865  2.6412 2.707352       3.455384 
1 1 1 4  3  45 f 74.320  1.9264 55.331   1.9702  73.347  2.3504 75.294  3.0529 -1.946800      3.852860 
1 1 1 4  3  47 o 35.821  3.0263 13.089   1.5324  35.197  4.3538 36.445  4.2047 -1.247730      6.052658 
1 1 1 4  3  49 o 33.255  4.3610 11.905   1.9865  27.619  6.5616 38.890  5.7464 -11.27134      8.722073 
1 1 1 4  3  51 o 32.753  4.0461 11.405   1.7966  29.358  5.4237 36.148  6.0056 -6.790192      8.092185 
1 1 1 4  3  53 f 16.775  4.9244 1.7178   1.9279  17.164  6.6974 16.386  7.2211 0.7774715      9.848849 
1 1 1 4  3  55 o 26.657  6.2172 9.8619   2.5058  28.395  6.0286 24.919  10.875 3.476383       12.43447 
1 1 1 4  4  0  o 30.392  1.6917 9.3222   1.0216  30.392  1.6917 ?       ?      0.000000       0.000000 
1 1 1 4  4  4  o 897.442 6.9207 8088.94  86.844  917.074 8.8423 877.811 10.649 39.26270       13.84140 
1 1 1 4  4  6  o 860.061 7.2300 7401.76  87.852  863.530 10.470 856.593 9.9735 6.937073       14.46003 
1 1 1 4  4  8  o 582.071 3.7484 3381.91  29.912  577.845 4.5083 586.297 5.9898 -8.451599      7.496794 
1 1 1 4  4  10 f 231.799 1.7044 537.293  5.5853  232.708 2.4420 230.890 2.3782 1.817261       3.408719 
1 1 1 4  4  12 o 151.600 1.3574 229.073  2.8768  154.442 2.0671 148.758 1.7598 5.683456       2.714773 
1 1 1 4  4  14 o 532.291 3.3080 2834.53  24.900  535.149 4.6890 529.432 4.6673 5.717834       6.615925 
1 1 1 4  4  16 o 733.045 4.3330 5375.06  44.905  737.198 6.2014 728.892 6.0531 8.306580       8.665915 
1 1 1 4  4  18 o 391.340 2.6313 1531.80  14.358  391.468 3.3437 391.211 4.0640 0.2566223      5.262699 
1 1 1 4  4  20 o 38.963  2.0849 15.147   1.1458  37.817  2.8703 40.110  3.0246 -2.293720      4.169734 
1 1 1 4  4  22 o 201.696 1.5170 406.597  4.2699  201.033 1.9374 202.359 2.3349 -1.326080      3.034056 
1 1 1 4  4  24 o 371.430 2.4407 1379.89  12.472  371.217 2.9585 371.643 3.8828 -0.4263916     4.881465 
1 1 1 4  4  26 o 136.511 1.3341 186.499  2.5141  136.864 1.6328 136.157 2.1103 0.7064362      2.668211 
1 1 1 4  4  28 o 216.789 1.7237 470.294  5.1415  217.078 2.0884 216.499 2.7428 0.5786285      3.447331 
1 1 1 4  4  30 o 212.279 2.1749 449.922  5.9679  211.309 2.2662 213.249 3.7128 -1.940430      4.349774 
1 1 1 4  4  32 o 198.442 1.7820 396.632  4.9136  204.952 2.2119 191.932 2.7945 13.02029       3.563927 
1 1 1 4  4  34 o 199.757 1.8573 400.030  5.0387  200.791 2.1624 198.723 3.0203 2.067825       3.714533 
1 1 1 4  4  36 o 96.224  1.5096 92.966   2.0352  98.352  1.9476 94.096  2.3071 4.256493       3.019279 
1 1 1 4  4  38 o 109.070 1.4314 119.212  2.1987  110.450 1.9077 107.690 2.1345 2.759315       2.862749 
1 1 1 4  4  40 o 56.578  2.3050 32.147   1.7744  56.776  2.6990 56.380  3.7373 0.3961334      4.609987 
1 1 1 4  4  42 o 73.597  1.8616 54.198   1.8623  73.070  2.1846 74.124  3.0149 -1.053528      3.723163 
1 1 1 4  4  44 o 48.685  2.6022 23.880   1.6857  48.755  2.8811 48.615  4.3342 0.1402588      5.204432 
1 1 1 4  4  46 o 51.814  2.5486 27.693   1.7057  54.150  2.5941 49.477  4.3877 4.672878       5.097188 
1 1 1 4  4  48 o 21.799  5.0262 4.8526   1.6937  21.226  6.0320 22.372  8.0415 -1.146065      10.05245 
1 1 1 4  4  50 o 36.582  4.6678 14.054   1.9989  34.316  4.2796 38.848  8.2969 -4.532829      9.335628 
1 1 1 4  4  52 o 37.861  4.6688 16.743   2.1044  41.491  4.0012 34.231  8.4369 7.260246       9.337555 
1 1 1 4  4  54 o 18.319  4.9345 3.0608   1.8437  19.760  6.3094 16.877  7.5889 2.883625       9.869083 
1 1 1 4  4  56 o 16.412  5.0013 2.0432   1.9581  15.625  6.2397 17.200  7.8177 -1.575094      10.00251 
1 1 1 4  5  1  o 939.231 7.8203 8808.42  103.574 912.475 10.734 965.987 11.376 -53.51190      15.64053 
1 1 1 4  5  3  o 494.353 3.3383 2440.43  23.168  488.883 4.4014 499.823 5.0204 -10.93945      6.676588 
1 1 1 4  5  5  o 583.918 3.5643 3409.23  29.421  589.460 5.1019 578.377 4.9789 11.08258       7.128692 
1 1 1 4  5  7  o 300.158 2.0610 901.121  8.7475  297.148 2.9438 303.168 2.8854 -6.020050      4.122063 
1 1 1 4  5  9  o 416.052 2.7677 1721.80  15.621  409.194 3.2456 422.910 4.4841 -13.71658      5.535423 
1 1 1 4  5  11 o 367.130 2.5097 1351.69  12.797  371.574 3.1274 362.685 3.9259 8.889099       5.019321 
1 1 1 4  5  13 o 447.694 2.9909 2002.26  18.389  445.403 3.6125 449.984 4.7677 -4.580353      5.981728 
1 1 1 4  5  15 o 298.705 2.1753 887.359  8.9145  292.907 2.6377 304.503 3.4598 -11.59586      4.350609 
1 1 1 4  5  17 o 186.367 1.5835 347.430  4.0092  186.506 1.8487 186.228 2.5715 0.2774658      3.167031 
1 1 1 4  5  19 o 705.828 4.2928 4992.99  41.831  710.851 5.2456 700.806 6.7968 10.04480       8.585647 
1 1 1 4  5  21 o 64.119  1.3900 40.959   1.2050  63.422  1.6108 64.815  2.2658 -1.392601      2.780002 
1 1 1 4  5  23 o 288.319 1.9651 830.801  7.8098  287.463 2.3989 289.175 3.1133 -1.711578      3.930300 
1 1 1 4  5  25 o 213.960 1.7987 457.142  5.3792  211.995 2.3191 215.925 2.7501 -3.929840      3.597406 
1 1 1 4  5  27 o 251.831 1.9002 629.337  6.5715  244.747 2.3219 258.916 3.0086 -14.16986      3.800359 
1 1 1 4  5  29 o 47.279  2.0800 23.855   1.2483  54.305  1.9988 40.252  3.6484 14.05273       4.160040 
1 1 1 4  5  31 o 241.862 2.0932 584.094  6.7165  240.506 2.3097 243.219 3.4916 -2.712753      4.186372 
1 1 1 4  5  33 o 102.164 1.3826 104.867  1.9608  104.230 1.7153 100.097 2.1688 4.132896       2.765111 
1 1 1 4  5  35 o 70.398  1.9216 49.528   1.8181  70.094  2.1862 70.702  3.1608 -0.6079865     3.843245 
1 1 1 4  5  37 o 62.352  1.9707 39.161   1.6192  63.192  2.1219 61.513  3.3216 1.678928       3.941499 
1 1 1 4  5  39 o 226.064 2.2938 507.723  6.3677  222.833 2.1777 229.294 4.0377 -6.461060      4.587560 
1 1 1 4  5  41 o 142.921 1.7951 204.466  3.3639  142.527 1.9263 143.315 3.0296 -0.7875977     3.590140 
1 1 1 4  5  43 o 102.411 2.0607 101.710  2.4632  97.594  1.8319 107.228 3.6919 -9.633720      4.121390 
1 1 1 4  5  45 o 59.144  2.5217 35.325   1.9155  59.329  2.5829 58.960  4.3318 0.3692741      5.043403 
1 1 1 4  5  47 o 25.376  5.0210 6.1296   1.6580  18.847  5.8393 31.906  8.1696 -13.05839      10.04192 
1 1 1 4  5  49 o 28.359  5.1999 8.9333   1.8869  28.121  5.1903 28.597  9.0120 -0.4769268     10.39980 
1 1 1 4  5  51 o 19.090  5.5152 2.6533   1.9510  14.926  6.0439 23.254  9.2272 -8.328324      11.03038 
1 1 1 4  5  53 f 15.501  5.0147 -0.8375  2.2389  13.943  6.1848 17.059  7.8954 -3.115984      10.02942 
1 1 1 4  5  55 o 20.221  4.9381 4.4422   2.0523  24.314  6.4556 16.128  7.4744 8.185698       9.876290 
1 1 1 4  6  0  o 750.213 6.3672 5630.33  95.520  750.213 6.3672 ?       ?      0.000000       0.000000 
1 1 1 4  6  2  o 295.697 2.1765 873.461  9.0735  299.226 3.2008 292.168 2.9503 7.058533       4.353071 
1 1 1 4  6  6  o 595.927 3.6783 3552.37  30.999  595.746 5.1767 596.108 5.2271 -0.3623657     7.356639 
1 1 1 4  6  8  o 293.561 2.1480 860.406  8.8567  289.856 2.8417 297.266 3.2219 -7.410431      4.295989 
1 1 1 4  6  10 o 275.708 1.9242 760.277  7.5023  275.279 2.7370 276.137 2.7054 -0.8572083     3.848386 
1 1 1 4  6  12 o 317.148 2.2644 1006.74  9.8691  317.914 2.7315 316.382 3.6125 1.531799       4.528890 
1 1 1 4  6  14 o 592.067 3.7805 3495.38  30.539  585.877 4.4901 598.257 6.0835 -12.38019      7.561051 
1 1 1 4  6  18 o 573.325 3.5878 3297.85  28.482  580.739 4.4199 565.912 5.6527 14.82709       7.175502 
1 1 1 4  6  20 o 69.911  1.5371 49.437   1.3992  71.648  1.6041 68.175  2.6224 3.472694       3.074107 
1 1 1 4  6  22 o 387.116 4.1386 1465.57  16.049  377.762 2.8734 396.470 7.7625 -18.70715      8.277237 
1 1 1 4  6  24 o 393.185 2.8190 1547.75  14.343  393.745 2.9351 392.625 4.8137 1.119171       5.637954 
1 1 1 4  6  26 o 176.522 1.6652 313.390  3.7945  178.521 1.7168 174.522 2.8537 3.998993       3.330305 
1 1 1 4  6  28 o 62.995  1.6772 40.121   1.3508  64.318  1.6876 61.672  2.8989 2.645439       3.354363 
1 1 1 4  6  30 o 152.637 1.7558 232.275  3.4046  151.633 1.7686 153.642 3.0337 -2.008240      3.511603 
1 1 1 4  6  32 o 59.814  2.1923 36.156   1.5881  60.738  1.9974 58.891  3.9032 1.846889       4.384556 
1 1 1 4  6  34 o 79.030  1.7621 62.584   1.8112  79.247  1.8532 78.814  2.9975 0.4328690      3.524117 
1 1 1 4  6  36 o 79.808  1.9349 63.769   1.9503  79.798  1.9204 79.818  3.3598 -0.2020264E-01 3.869898 
1 1 1 4  6  38 o 30.022  3.6313 9.4754   1.3792  32.120  3.5782 27.925  6.3201 4.194748       7.262688 
1 1 1 4  6  40 o 22.484  4.8138 4.9827   1.6625  18.877  6.4610 26.091  7.1376 -7.213913      9.627613 
1 1 1 4  6  42 o 64.012  2.0285 41.406   1.8192  68.255  2.6193 59.768  3.0981 8.487141       4.056949 
1 1 1 4  6  44 o 23.798  4.7359 5.9452   1.6081  24.828  5.2994 22.768  7.8505 2.059620       9.471766 
1 1 1 4  6  46 o 16.204  4.8141 0.8008   1.6882  14.706  5.8356 17.703  7.6581 -2.996959      9.628115 
1 1 1 4  6  48 o 20.091  4.4781 3.3020   1.7673  25.978  6.2182 14.204  6.4457 11.77392       8.956172 
1 1 1 4  6  50 o 48.946  2.9701 23.724   1.8437  44.683  3.1437 53.208  5.0401 -8.524498      5.940146 
1 1 1 4  6  52 o 31.172  4.8378 11.059   1.9332  29.732  5.3488 32.611  8.0627 -2.878744      9.675554 
1 1 1 4  6  54 o 14.949  4.5175 0.0963   1.8590  16.678  6.4497 13.220  6.3271 3.457860       9.034951 
1 1 1 4  7  1  o 274.892 2.1531 755.453  8.3469  273.778 2.9153 276.005 3.1693 -2.227570      4.306197 
1 1 1 4  7  3  o 559.898 3.4429 3131.78  27.210  569.540 5.0001 550.257 4.7343 19.28278       6.885814 
1 1 1 4  7  5  o 429.789 2.8154 1847.51  17.110  429.122 3.9430 430.457 4.0198 -1.335022      5.630826 
1 1 1 4  7  7  o 256.030 1.9329 654.670  6.9588  258.908 2.8854 253.152 2.5727 5.756409       3.865752 
1 1 1 4  7  9  o 503.942 3.1536 2540.01  22.466  507.897 4.5132 499.987 4.4058 7.910461       6.307127 
1 1 1 4  7  11 o 347.442 2.2872 1207.04  11.229  349.957 3.3024 344.927 3.1654 5.030243       4.574464 
1 1 1 4  7  13 o 890.122 6.0783 7943.24  71.368  893.307 6.5901 886.936 10.215 6.371826       12.15663 
1 1 1 4  7  15 o 247.435 2.3280 615.830  8.0406  239.008 3.6065 255.863 2.9447 -16.85466      4.655961 
1 1 1 4  7  17 o 279.168 1.9943 779.128  7.7121  278.725 2.4741 279.611 3.1285 -0.8860168     3.988514 
1 1 1 4  7  19 o 394.822 2.5832 1557.98  14.135  393.562 3.2123 396.083 4.0462 -2.521240      5.166327 
1 1 1 4  7  21 o 258.976 2.0440 673.971  6.9289  261.710 2.1714 256.243 3.4636 5.467194       4.087951 
1 1 1 4  7  23 f 107.313 1.8131 115.376  2.7441  109.842 2.4414 104.784 2.6812 5.058495       3.626171 
1 1 1 4  7  25 o 121.244 1.4512 145.971  2.1692  119.802 1.3857 122.686 2.5501 -2.884407      2.902318 
1 1 1 4  7  27 o 144.501 1.8360 209.543  3.7284  148.524 2.4074 140.478 2.7726 8.046661       3.671923 
1 1 1 4  7  29 o 111.223 1.7952 122.872  2.6450  109.312 1.9860 113.134 2.9912 -3.822205      3.590471 
1 1 1 4  7  31 o 147.067 1.8266 217.564  3.3527  148.439 1.7636 145.695 3.1992 2.743927       3.653110 
1 1 1 4  7  33 o 227.785 2.1581 521.720  6.2610  229.753 2.1677 225.817 3.7323 3.936752       4.316164 
1 1 1 4  7  35 f 131.999 1.7041 175.653  2.8733  133.867 1.7171 130.131 2.9440 3.735992       3.408140 
1 1 1 4  7  37 o 33.702  4.1209 11.990   1.7251  36.033  3.8984 31.371  7.2614 4.661484       8.241714 
1 1 1 4  7  39 o 97.075  1.8532 95.119   2.2230  98.342  1.7530 95.808  3.2656 2.534241       3.706343 
1 1 1 4  7  41 o 55.272  2.6038 31.749   1.8112  58.860  2.4950 51.684  4.5710 7.175755       5.207578 
1 1 1 4  7  43 o 78.621  2.0326 62.201   2.0987  79.092  2.1797 78.149  3.4315 0.9432220      4.065279 
1 1 1 4  7  45 o 33.785  3.9530 11.908   1.7923  34.536  4.6221 33.034  6.4140 1.501438       7.905912 
1 1 1 4  7  47 o 44.949  3.0845 20.568   1.8112  44.618  3.2914 45.279  5.2176 -0.6610985     6.168985 
1 1 1 4  7  49 o 51.740  3.4061 28.772   1.9857  54.493  2.6949 48.987  6.2564 5.506302       6.812137 
1 1 1 4  7  51 o 28.008  5.1353 9.3654   2.0157  28.953  6.1409 27.063  8.2327 1.890045       10.27070 
1 1 1 4  7  53 o 20.892  5.2853 4.8691   1.8475  17.878  6.4275 23.906  8.3920 -6.028536      10.57061 
1 1 1 4  7  55 o 18.019  5.1528 3.4595   2.0374  18.411  6.9138 17.627  7.6423 0.7838001      10.30555 
1 1 1 4  8  0  o 164.847 2.0148 271.875  6.6404  164.847 2.0148 ?       ?      0.000000       0.000000 
1 1 1 4  8  2  o 537.877 3.3323 2892.49  25.325  532.184 4.6192 543.570 4.8043 -11.38586      6.664689 
1 1 1 4  8  4  o 327.087 2.2707 1069.80  10.499  329.009 3.2604 325.165 3.1614 3.843384       4.541444 
1 1 1 4  8  6  o 272.948 2.0025 744.829  7.7127  271.593 2.7271 274.303 2.9329 -2.710205      4.004914 
1 1 1 4  8  8  o 262.626 1.9182 689.753  7.1077  263.038 2.8158 262.214 2.6055 0.8231201      3.836333 
1 1 1 4  8  10 o 618.653 3.7729 3829.05  33.001  612.469 5.2960 624.838 5.3750 -12.36993      7.545740 
1 1 1 4  8  12 o 590.251 3.6487 3485.38  30.456  589.385 5.1892 591.118 5.1308 -1.732788      7.297446 
1 1 1 4  8  14 o 740.165 4.7599 5478.12  49.417  743.004 7.2014 737.326 6.2264 5.678101       9.519855 
1 1 1 4  8  16 o 507.115 3.2478 2573.18  22.772  507.860 3.9980 506.370 5.1194 1.489929       6.495614 
1 1 1 4  8  18 o 511.038 3.2581 2607.55  23.024  507.233 4.0282 514.843 5.1220 -7.609375      6.516201 
1 1 1 4  8  20 o 292.405 2.0008 851.442  8.0937  287.268 2.4894 297.541 3.1331 -10.27295      4.001650 
1 1 1 4  8  22 o 350.853 2.8993 1239.96  14.156  363.496 3.6185 338.209 4.5310 25.28705       5.798556 
1 1 1 4  8  24 o 376.710 2.7139 1420.77  13.232  377.233 2.8266 376.188 4.6336 1.045502       5.427753 
1 1 1 4  8  26 o 273.263 2.2119 751.919  7.8100  276.928 2.2826 269.599 3.7894 7.328613       4.423749 
1 1 1 4  8  28 o 83.123  1.6610 68.835   1.9218  81.475  2.1159 84.771  2.5609 -3.295280      3.321970 
1 1 1 4  8  30 o 221.765 2.9419 487.927  7.0078  219.360 2.2413 224.170 5.4403 -4.810150      5.883869 
1 1 1 4  8  32 o 147.099 1.7505 217.710  3.4833  149.501 2.0073 144.696 2.8683 4.805069       3.500901 
1 1 1 4  8  34 o 93.595  1.5849 87.932   1.9454  94.257  1.6935 92.933  2.6795 1.324020       3.169848 
1 1 1 4  8  36 o 95.502  1.5288 91.546   2.0113  96.517  1.8523 94.488  2.4327 2.028717       3.057654 
1 1 1 4  8  38 o 98.122  1.9559 98.032   2.4121  101.094 1.8948 95.151  3.4223 5.942543       3.911843 
1 1 1 4  8  40 o 34.078  4.1437 11.663   1.7793  32.639  4.3037 35.517  7.0823 -2.877872      8.287389 
1 1 1 4  8  42 f 20.375  4.9236 3.2404   1.6761  14.535  5.8969 26.215  7.8864 -11.68006      9.847249 
1 1 1 4  8  44 o 17.577  4.9228 1.2770   1.8973  18.871  6.5871 16.282  7.3176 2.589384       9.845695 
1 1 1 4  8  46 o 40.125  3.5347 16.984   1.8623  43.154  3.6990 37.095  6.0245 6.059727       7.069425 
1 1 1 4  8  48 o 57.131  2.8102 33.280   2.0358  56.407  2.8299 57.854  4.8561 -1.446640      5.620453 
1 1 1 4  8  50 o 61.284  2.7958 38.257   1.9989  60.443  2.4297 62.124  5.0361 -1.681725      5.591606 
1 1 1 4  8  52 o 21.654  5.5164 5.1908   1.9857  20.952  6.4112 22.356  8.9788 -1.403458      11.03275 
1 1 1 4  8  54 o 17.594  5.3917 2.2818   2.1844  14.935  6.3506 20.253  8.7150 -5.318363      10.78341 
1 1 1 4  9  1  o 542.885 3.3810 2948.67  25.955  538.745 4.8236 547.025 4.7390 -8.280518      6.762044 
1 1 1 4  9  3  o 559.484 3.5713 3131.86  28.249  558.602 5.1208 560.366 4.9794 -1.764221      7.142608 
1 1 1 4  9  5  o 456.962 2.9793 2089.03  19.248  457.858 4.1557 456.066 4.2701 1.792480       5.958510 
1 1 1 4  9  7  o 493.190 3.1720 2433.19  22.119  496.196 4.5295 490.184 4.4418 6.012360       6.343995 
1 1 1 4  9  9  o 389.432 2.5512 1517.28  14.046  386.775 3.6649 392.089 3.5501 -5.314301      5.102376 
1 1 1 4  9  11 o 552.615 3.4981 3050.98  27.242  559.688 5.1565 545.543 4.7284 14.14447       6.996263 
1 1 1 4  9  13 o 628.870 3.9235 3955.68  34.888  632.471 5.5928 625.269 5.5041 7.202698       7.846974 
1 1 1 4  9  15 o 359.909 2.3834 1295.28  12.129  362.649 3.3981 357.169 3.3430 5.480438       4.766803 
1 1 1 4  9  17 o 520.360 3.3112 2708.28  23.858  520.169 4.0998 520.551 5.2008 -0.3815918     6.622423 
1 1 1 4  9  19 o 341.203 2.3546 1164.64  11.185  341.500 2.9728 340.906 3.6523 0.5945435      4.709233 
1 1 1 4  9  21 o 219.893 1.7056 482.216  5.1653  217.532 2.0840 222.255 2.7005 -4.722870      3.411114 
1 1 1 4  9  23 o 207.593 1.9716 428.916  5.3173  205.423 2.0825 209.764 3.3483 -4.340607      3.943114 
1 1 1 4  9  25 o 184.416 1.7429 340.013  4.0193  184.257 1.6980 184.574 3.0442 -0.3168030     3.485747 
1 1 1 4  9  27 o 152.751 1.6685 235.701  3.3957  156.607 1.8347 148.895 2.7874 7.711334       3.337006 
1 1 1 4  9  29 o 110.446 1.7324 121.444  2.6072  108.722 2.0555 112.171 2.7892 -3.448517      3.464785 
1 1 1 4  9  31 o 200.435 1.9879 401.652  4.9946  200.111 1.9464 200.759 3.4667 -0.6481781     3.975712 
1 1 1 4  9  33 o 69.449  1.8115 47.535   1.6578  67.027  2.0005 71.872  3.0205 -4.844368      3.622927 
1 1 1 4  9  35 o 83.974  1.8046 69.218   1.8585  81.308  1.7276 86.641  3.1689 -5.332695      3.609262 
1 1 1 4  9  37 o 97.490  1.6153 95.674   2.1802  99.891  1.9815 95.089  2.5516 4.801857       3.230678 
1 1 1 4  9  39 o 96.908  1.8820 93.060   2.2544  95.098  1.8128 98.717  3.2987 -3.618973      3.763995 
1 1 1 4  9  41 o 15.646  4.6898 0.3227   1.5881  12.237  5.3201 19.055  7.7249 -6.817966      9.379607 
1 1 1 4  9  43 o 34.652  3.2716 12.103   1.5860  30.728  4.7793 38.577  4.4689 -7.849184      6.543145 
1 1 1 4  9  45 o 76.841  1.7360 59.394   1.8787  77.030  2.3209 76.653  2.5822 0.3765335      3.471987 
1 1 1 4  9  47 o 85.420  1.9708 73.734   2.2321  85.563  2.1641 85.277  3.2945 0.2858658      3.941670 
1 1 1 4  9  49 o 30.444  4.5380 10.097   1.6882  30.332  4.2101 30.555  8.0404 -0.2224770     9.075918 
1 1 1 4  9  51 o 22.623  5.3457 5.8264   1.9155  21.827  6.5233 23.418  8.4706 -1.590420      10.69136 
1 1 1 4  9  53 o 34.211  5.0050 13.043   2.0242  30.778  4.7715 37.644  8.7995 -6.866293      10.00996 
1 1 1 4  9  55 o 19.930  5.2124 5.1183   1.8475  19.065  6.4611 20.794  8.1813 -1.729235      10.42488 
1 1 1 4  10 0  o 374.873 3.8844 1405.99  29.116  374.873 3.8844 ?       ?      0.000000       0.000000 
1 1 1 4  10 2  f 482.283 3.2672 2326.94  22.282  487.167 4.6135 477.400 4.6276 9.766479       6.534454 
1 1 1 4  10 4  o 406.277 2.8118 1651.37  16.154  408.415 3.9397 404.139 4.0130 4.276001       5.623626 
1 1 1 4  10 6  o 249.456 1.9361 621.382  6.8171  243.660 2.6729 255.251 2.8017 -11.59061      3.872150 
1 1 1 4  10 8  o 167.140 1.9142 277.673  4.4016  163.400 2.3446 170.881 3.0266 -7.480865      3.828491 
1 1 1 4  10 10 o 454.230 2.9819 2063.71  19.155  454.222 4.2312 454.237 4.2029 -0.1470947E-01 5.963855 
1 1 1 4  10 12 o 555.597 3.4397 3084.18  26.914  561.506 5.0943 549.687 4.6231 11.81934       6.879324 
1 1 1 4  10 14 o 725.819 4.3358 5270.53  44.504  723.214 6.1624 728.423 6.1008 -5.208740      8.671552 
1 1 1 4  10 16 o 412.375 2.9238 1702.96  16.796  409.857 4.5334 414.892 3.6935 -5.034485      5.847549 
1 1 1 4  10 18 o 180.715 1.7902 323.591  4.4669  187.213 2.7967 174.217 2.2356 12.99590       3.580429 
1 1 1 4  10 20 f 410.632 2.6795 1687.95  15.350  412.069 3.4089 409.194 4.1350 2.875122       5.359042 
1 1 1 4  10 22 f 522.606 3.2988 2733.00  23.927  522.436 4.1187 522.776 5.1542 -0.3397217     6.597687 
1 1 1 4  10 24 o 354.771 2.6822 1249.80  12.147  349.596 2.7396 359.947 4.6121 -10.35101      5.364419 
1 1 1 4  10 26 o 153.956 1.4960 238.849  3.1108  157.302 1.7048 150.611 2.4589 6.690674       2.992065 
1 1 1 4  10 28 o 177.053 2.4743 311.983  4.9509  175.763 2.0343 178.342 4.5111 -2.578979      4.948577 
1 1 1 4  10 30 o 172.962 1.9829 299.573  4.1833  173.167 1.8436 172.757 3.5112 0.4099884      3.965767 
1 1 1 4  10 32 o 231.658 2.1519 538.512  6.2260  232.653 2.0858 230.662 3.7647 1.991348       4.303862 
1 1 1 4  10 34 o 116.909 1.6361 136.086  2.5109  115.542 1.7684 118.277 2.7532 -2.735107      3.272180 
1 1 1 4  10 36 o 142.675 1.7182 203.608  3.2106  142.399 1.8384 142.951 2.9033 -0.5517731     3.436390 
1 1 1 4  10 38 o 83.256  1.7280 69.796   1.9865  85.036  2.1024 81.476  2.7429 3.560059       3.455929 
1 1 1 4  10 40 o 32.504  4.3369 10.275   1.7585  28.900  4.6397 36.108  7.3285 -7.208765      8.673701 
1 1 1 4  10 42 o 86.471  2.0106 75.573   2.2986  87.939  2.1782 85.003  3.3802 2.936798       4.021255 
1 1 1 4  10 44 o 30.071  3.9301 9.4699   1.6276  32.043  4.9816 28.099  6.0801 3.944548       7.860242 
1 1 1 4  10 46 o 50.181  2.7212 25.941   1.8398  52.096  3.0641 48.266  4.4978 3.830196       5.442359 
1 1 1 4  10 48 o 40.105  3.4401 16.863   1.9427  40.359  4.5880 39.852  5.1270 0.5071793      6.880132 
1 1 1 4  10 50 o 34.231  4.2636 14.845   1.7520  44.069  3.3324 24.392  7.8492 19.67745       8.527251 
1 1 1 4  10 52 o 19.483  5.5936 3.3202   2.2986  19.200  6.9579 19.767  8.7601 -0.5665493     11.18717 
1 1 1 4  10 54 o 20.634  5.6599 4.1192   2.2921  13.465  6.1146 27.803  9.5263 -14.33817      11.31985 
1 1 1 4  11 1  o 159.896 1.4830 255.770  3.3518  161.513 2.0557 158.279 2.1381 3.234863       2.965998 
1 1 1 4  11 3  o 354.143 2.4796 1254.52  12.419  353.584 3.5033 354.702 3.5102 -1.117340      4.959291 
1 1 1 4  11 5  o 350.269 2.4882 1227.33  12.322  348.518 3.5725 352.020 3.4644 -3.501678      4.976443 
1 1 1 4  11 7  o 83.230  1.3291 69.263   1.5637  83.652  1.9082 82.808  1.8506 0.8436966      2.658166 
1 1 1 4  11 9  o 440.115 2.9600 1937.46  18.416  439.787 4.2539 440.443 4.1171 -0.6556702     5.920001 
1 1 1 4  11 11 o 680.113 4.1797 4628.00  40.193  675.145 5.9865 685.081 5.8344 -9.935730      8.359308 
1 1 1 4  11 13 o 524.895 3.2791 2755.28  24.289  526.270 4.8045 523.519 4.4639 2.751038       6.558177 
1 1 1 4  11 15 o 251.963 1.8909 635.005  6.7349  250.899 2.7230 253.028 2.6244 -2.129349      3.781826 
1 1 1 4  11 17 o 190.564 1.6922 364.028  4.5010  188.133 2.6133 192.995 2.1505 -4.861801      3.384345 
1 1 1 4  11 19 o 357.182 2.3574 1276.09  11.907  354.466 3.3324 359.898 3.3354 -5.432648      4.714840 
1 1 1 4  11 21 o 147.756 1.4714 218.616  3.0529  149.097 1.9271 146.415 2.2241 2.681961       2.942834 
1 1 1 4  11 23 o 333.448 2.6469 1121.07  11.809  340.243 2.9463 326.651 4.3981 13.59204       5.293727 
1 1 1 4  11 25 o 38.232  3.0785 15.404   1.4366  41.665  2.7585 34.799  5.5046 6.865993       6.157079 
1 1 1 4  11 27 o 87.436  1.5132 76.141   1.7966  86.273  1.7762 88.599  2.4503 -2.325760      3.026360 
1 1 1 4  11 29 f 128.615 2.0131 164.834  3.1763  127.727 1.8996 129.503 3.5499 -1.775940      4.026217 
1 1 1 4  11 31 o 344.767 2.8127 1178.32  12.229  338.306 2.8122 351.228 4.8720 -12.92258      5.625382 
1 1 1 4  11 33 o 116.421 1.7988 136.167  2.6172  117.192 1.7435 115.649 3.1470 1.542679       3.597673 
1 1 1 4  11 35 o 163.517 1.8278 266.460  3.7632  162.135 1.8115 164.900 3.1751 -2.764984      3.655534 
1 1 1 4  11 37 o 38.905  2.7220 14.965   1.4672  36.384  3.5098 41.427  4.1615 -5.042412      5.443945 
1 1 1 4  11 39 o 44.685  3.0756 20.097   1.7618  44.691  3.1431 44.679  5.2876 0.1223373E-01  6.151280 
1 1 1 4  11 41 o 64.192  2.4596 41.219   1.9289  63.748  2.3037 64.637  4.3465 -0.8891106     4.919240 
1 1 1 4  11 43 o 19.041  4.3760 2.5998   1.6625  24.218  6.0702 13.865  6.3049 10.35299       8.752101 
1 1 1 4  11 45 o 16.070  4.6078 1.2845   1.6125  14.748  6.1043 17.393  6.9039 -2.645857      9.215569 
1 1 1 4  11 47 o 29.063  4.8065 9.6931   1.9256  32.972  4.8413 25.155  8.3048 7.816767       9.612934 
1 1 1 4  11 49 o 57.237  3.0105 32.874   2.0708  54.517  2.8109 59.958  5.3246 -5.440575      6.021023 
1 1 1 4  11 51 o 20.896  5.4986 4.2511   2.0358  15.680  6.4093 26.113  8.9364 -10.43329      10.99726 
1 1 1 4  11 53 o 12.016  4.1521 -4.2254  1.9437  10.186  4.9023 13.845  6.7029 -3.658185      8.304276 
1 1 1 4  12 0  o 215.847 2.4856 466.108  10.727  215.847 2.4856 ?       ?      0.000000       0.000000 
1 1 1 4  12 2  o 538.748 3.5033 2903.74  26.689  535.690 4.9942 541.807 4.9142 -6.116394      7.006537 
1 1 1 4  12 4  o 258.529 2.0802 668.518  7.5848  258.219 3.0662 258.839 2.8122 -0.6199341     4.160489 
1 1 1 4  12 6  o 578.315 3.6426 3345.08  29.768  580.027 5.2619 576.603 5.0385 3.424622       7.285183 
1 1 1 4  12 8  o 1076.61 6.2571 11601.77 95.265  1071.74 8.9007 1081.49 8.7969 -9.740601      12.51429 
1 1 1 4  12 10 o 490.208 3.3154 2401.88  22.961  496.990 4.7792 483.426 4.5964 13.56409       6.630814 
1 1 1 4  12 12 o 526.133 3.3855 2769.00  25.189  524.616 4.8197 527.651 4.7557 -3.035034      6.770929 
1 1 1 4  12 14 o 452.696 2.9380 2050.05  18.797  451.523 4.2423 453.868 4.0657 -2.345581      5.875978 
1 1 1 4  12 16 o 500.747 3.5471 2508.97  24.664  500.466 5.5371 501.028 4.4349 -0.5625610     7.094166 
1 1 1 4  12 18 o 507.262 3.1335 2574.84  22.475  503.894 4.4857 510.631 4.3765 -6.737274      6.266970 
1 1 1 4  12 20 f 181.602 1.4932 328.415  3.7927  186.082 2.2647 177.122 1.9466 8.960159       2.986325 
1 1 1 4  12 22 o 355.266 2.5753 1262.69  12.907  354.565 3.4936 355.966 3.7848 -1.401947      5.150672 
1 1 1 4  12 24 f 197.292 1.8729 392.313  4.7524  200.287 1.9128 194.296 3.2205 5.991211       3.745719 
1 1 1 4  12 26 f 42.750  2.6467 18.325   1.5963  44.467  3.5897 41.032  3.8903 3.435253       5.293440 
1 1 1 4  12 28 o 124.904 1.7590 155.743  2.7714  124.388 1.7453 125.420 3.0545 -1.032104      3.517987 
1 1 1 4  12 30 o 96.771  1.8606 94.268   2.3086  97.910  1.8912 95.632  3.2048 2.278297       3.721201 
1 1 1 4  12 32 f 121.746 1.6406 146.856  2.5317  119.516 1.6562 123.976 2.8326 -4.460289      3.281245 
1 1 1 4  12 34 o 82.252  1.7517 67.498   1.8475  81.696  1.7976 82.809  3.0071 -1.112846      3.503449 
1 1 1 4  12 36 f 148.347 1.8239 220.445  3.4556  148.446 1.8495 148.248 3.1441 0.1982574      3.647773 
1 1 1 4  12 38 o 51.256  2.2117 26.286   1.5733  50.592  2.7765 51.919  3.4435 -1.326778      4.423398 
1 1 1 4  12 40 o 90.114  1.7061 82.005   2.1004  92.342  2.0052 87.885  2.7608 4.457069       3.412154 
1 1 1 4  12 42 o 46.580  2.9647 21.939   1.8389  46.554  3.2917 46.607  4.9319 -0.5357742E-01 5.929485 
1 1 1 4  12 44 o 15.913  4.6757 0.9767   1.5726  14.047  5.6460 17.780  7.4548 -3.732970      9.351498 
1 1 1 4  12 46 o 16.941  5.0998 0.8010   1.9503  14.429  6.1172 19.452  8.1617 -5.023050      10.19967 
1 1 1 4  12 48 o 39.789  3.3633 16.796   1.7251  40.957  3.4297 38.620  5.7866 2.337860       6.726627 
1 1 1 4  12 50 o 16.945  4.7957 1.9772   1.7724  17.718  6.4218 16.172  7.1242 1.546015       9.591335 
1 1 1 4  12 52 o 30.737  4.7966 11.589   1.9155  33.611  4.5592 27.863  8.4407 5.747862       9.593290 
1 1 1 4  12 54 f 14.695  4.6547 0.3711   1.9714  14.500  6.2626 14.889  6.8881 -0.3890743     9.309451 
1 1 1 4  13 1  o 119.588 1.4347 143.025  2.4263  120.388 2.0154 118.787 2.0426 1.601768       2.869498 
1 1 1 4  13 3  o 354.758 2.4780 1259.69  12.415  349.340 3.6189 360.176 3.3860 -10.83676      4.955954 
1 1 1 4  13 5  o 216.139 1.7548 467.184  5.3627  216.331 2.5088 215.947 2.4541 0.3836670      3.509517 
1 1 1 4  13 7  o 505.784 3.2494 2558.61  23.237  504.365 4.5448 507.202 4.6453 -2.837036      6.498724 
1 1 1 4  13 9  o 685.162 4.2634 4696.20  41.309  688.146 6.0497 682.177 6.0090 5.968994       8.526804 
1 1 1 4  13 11 o 1056.96 6.2259 11181.99 93.054  1059.96 8.8611 1053.96 8.7480 6.003784       12.45174 
1 1 1 4  13 13 o 507.298 3.2488 2574.29  23.304  500.005 4.6227 514.590 4.5662 -14.58487      6.497637 
1 1 1 4  13 15 o 563.953 3.5346 3181.80  28.186  565.727 5.0450 562.179 4.9519 3.548035       7.069239 
1 1 1 4  13 17 o 111.290 1.3821 123.900  2.1634  111.060 2.0697 111.521 1.8321 -0.4604187     2.764127 
1 1 1 4  13 19 o 615.949 3.7642 3795.48  32.749  621.966 5.4512 609.931 5.1924 12.03546       7.528356 
1 1 1 4  13 21 o 460.304 3.2527 2117.82  20.806  463.258 5.0583 457.350 4.0906 5.908478       6.505333 
1 1 1 4  13 23 o 397.601 3.4408 1560.34  17.571  408.711 5.8740 386.491 3.5850 22.21909       6.881576 
1 1 1 4  13 25 o 215.184 1.8850 465.371  5.4331  217.771 2.1110 212.596 3.1235 5.174973       3.769975 
1 1 1 4  13 27 o 268.182 3.6148 718.365  11.829  266.711 3.3755 269.652 6.3933 -2.940460      7.229681 
1 1 1 4  13 29 o 249.257 2.3872 617.699  7.4738  246.214 2.3599 252.300 4.1504 -6.085831      4.774406 
1 1 1 4  13 31 o 126.906 1.5502 161.244  2.5781  127.075 1.6581 126.737 2.6198 0.3379593      3.100426 
1 1 1 4  13 33 o 50.105  2.2583 25.137   1.5860  49.858  2.9455 50.351  3.4239 -0.4932899     4.516510 
1 1 1 4  13 35 o 162.542 1.8806 264.153  3.8837  162.092 1.8908 162.992 3.2514 -0.9003601     3.761235 
1 1 1 4  13 37 o 55.117  2.5262 29.627   1.7027  52.588  2.4283 57.647  4.4305 -5.059078      5.052321 
1 1 1 4  13 39 o 102.118 1.7716 104.671  2.4538  102.416 2.0574 101.820 2.8846 0.5958252      3.543118 
1 1 1 4  13 41 o 33.090  3.8865 11.724   1.6625  36.795  3.9911 29.384  6.6700 7.411583       7.772914 
1 1 1 4  13 43 o 46.807  2.7739 22.425   1.7308  48.143  3.0504 45.471  4.6338 2.671875       5.547715 
1 1 1 4  13 45 o 22.080  4.7682 5.1964   1.6380  23.257  6.1998 20.903  7.2462 2.353537       9.536463 
1 1 1 4  13 47 o 43.200  3.1278 19.164   1.8815  40.187  4.1310 46.214  4.6975 -6.027355      6.255533 
1 1 1 4  13 49 o 15.813  5.1370 -0.8603  2.0970  11.959  5.5102 19.667  8.6713 -7.707943      10.27396 
1 1 1 4  13 51 o 15.593  4.8937 -0.2169  2.0992  15.404  6.3694 15.782  7.4312 -0.3784914     9.787338 
1 1 1 4  13 53 o 15.586  5.0291 0.4931   1.9989  11.984  5.4685 19.189  8.4417 -7.205087      10.05813 
1 1 1 4  14 0  o 527.311 4.9898 2781.71  52.613  527.311 4.9898 ?       ?      0.000000       0.000000 
1 1 1 4  14 2  o 314.720 2.2879 989.992  10.176  319.447 3.2780 309.994 3.1926 9.452118       4.575793 
1 1 1 4  14 4  o 340.764 2.5636 1160.94  12.348  344.314 3.6718 337.215 3.5786 7.099060       5.127238 
1 1 1 4  14 6  o 135.082 1.6215 182.449  3.0938  134.657 2.2286 135.507 2.3560 -0.8503265     3.243042 
1 1 1 4  14 8  o 177.804 1.7902 316.151  4.5012  176.368 2.5342 179.240 2.5292 -2.872665      3.580391 
1 1 1 4  14 10 o 179.543 1.6345 322.381  4.1503  179.632 2.3104 179.454 2.3127 0.1778107      3.269068 
1 1 1 4  14 12 o 479.198 3.1768 2295.97  21.475  482.095 4.6620 476.301 4.3166 5.794281       6.353512 
1 1 1 4  14 14 o 654.950 4.0601 4291.35  37.592  648.851 5.6780 661.048 5.8050 -12.19659      8.120230 
1 1 1 4  14 16 o 466.252 2.9921 2174.77  19.725  469.076 4.2742 463.428 4.1885 5.647430       5.984289 
1 1 1 4  14 18 o 177.357 2.0508 314.730  5.1350  176.672 2.9997 178.043 2.7973 -1.371323      4.101556 
1 1 1 4  14 20 o 259.496 1.9316 673.477  7.0822  260.527 2.7939 258.465 2.6680 2.062042       3.863204 
1 1 1 4  14 22 o 347.575 2.3707 1208.90  11.653  348.503 3.3345 346.647 3.3708 1.856628       4.741395 
1 1 1 4  14 24 o 132.049 1.4210 174.559  2.6463  130.790 2.0992 133.308 1.9159 -2.517365      2.842063 
1 1 1 4  14 26 o 350.783 2.9160 1228.82  13.408  348.495 3.1330 353.070 4.9189 -4.575134      5.831962 
1 1 1 4  14 28 o 181.283 2.1404 329.703  5.0407  182.202 2.2428 180.363 3.6463 1.838181       4.280853 
1 1 1 4  14 30 f 138.942 1.7010 192.405  2.9586  137.960 1.6661 139.923 2.9661 -1.963348      3.402033 
1 1 1 4  14 32 o 116.418 1.6474 135.346  2.5109  115.815 1.7642 117.022 2.7827 -1.206749      3.294829 
1 1 1 4  14 34 o 35.391  2.9806 12.137   1.4455  30.274  4.0073 40.508  4.4134 -10.23473      5.961293 
1 1 1 4  14 36 o 17.787  4.5851 2.3924   1.5585  19.796  6.4610 15.779  6.5074 4.017100       9.170131 
1 1 1 4  14 38 o 59.232  2.2622 35.481   1.6937  60.051  2.2329 58.413  3.9351 1.637493       4.524455 
1 1 1 4  14 40 o 25.379  4.9182 6.7592   1.8057  23.887  6.6874 26.870  7.2134 -2.982979      9.836386 
1 1 1 4  14 42 o 56.261  3.0852 33.589   2.0140  60.281  2.5421 52.240  5.6224 8.041401       6.170362 
1 1 1 4  14 44 o 34.732  3.8150 12.052   1.7921  31.144  4.7154 38.319  5.9986 -7.175758      7.630067 
1 1 1 4  14 46 o 28.416  4.7922 9.4539   1.8284  32.929  4.2658 23.902  8.5828 9.027550       9.584413 
1 1 1 4  14 48 o 36.835  4.3586 15.181   1.8978  38.585  3.8061 35.086  7.8423 3.499176       8.717139 
1 1 1 4  14 50 o 18.965  5.0453 3.7342   1.7966  18.253  6.5654 19.676  7.6627 -1.423313      10.09064 
1 1 1 4  14 52 o 29.962  4.4401 10.935   1.8057  30.787  5.5992 29.138  6.8925 1.648975       8.880179 
1 1 1 4  15 1  o 425.173 2.9521 1808.12  17.750  423.566 4.1907 426.780 4.1592 -3.213745      5.904288 
1 1 1 4  15 3  o 451.301 3.2058 2034.35  20.422  460.343 4.6465 442.258 4.4178 18.08539       6.411503 
1 1 1 4  15 5  o 491.130 3.3972 2412.80  23.588  491.023 4.8763 491.236 4.7312 -0.2122498     6.794356 
1 1 1 4  15 7  o 210.492 1.9517 442.571  5.7992  214.161 2.8323 206.822 2.6859 7.338837       3.903346 
1 1 1 4  15 9  o 197.662 1.7699 390.200  4.9383  201.537 2.5662 193.786 2.4382 7.750854       3.539829 
1 1 1 4  15 11 o 518.416 3.3530 2688.56  24.581  514.624 4.7396 522.207 4.7441 -7.583313      6.705945 
1 1 1 4  15 13 o 595.006 4.1097 3542.71  33.881  595.340 6.4457 594.671 5.1001 0.6694336      8.219422 
1 1 1 4  15 15 o 152.107 1.7673 231.314  3.7967  158.151 2.4628 146.063 2.5354 12.08792       3.534634 
1 1 1 4  15 17 o 135.729 1.5960 183.437  3.0435  140.266 2.3671 131.191 2.1415 9.074966       3.192019 
1 1 1 4  15 19 o 144.195 1.3789 207.935  2.8036  144.393 2.0341 143.997 1.8623 0.3961639      2.757884 
1 1 1 4  15 21 o 192.752 1.6890 372.035  4.5937  189.968 2.4872 195.536 2.2858 -5.568726      3.378031 
1 1 1 4  15 23 o 259.462 1.9663 673.399  7.2128  254.949 2.7799 263.975 2.7816 -9.025879      3.932620 
1 1 1 4  15 25 o 290.486 2.3935 843.066  9.6022  292.816 3.7724 288.156 2.9471 4.659821       4.787063 
1 1 1 4  15 27 o 112.237 2.1876 126.848  2.8507  113.210 1.8612 111.263 3.9597 1.946846       4.375293 
1 1 1 4  15 29 o 312.995 2.6506 987.664  10.867  317.532 2.8152 308.457 4.4919 9.075073       5.301150 
1 1 1 4  15 31 o 122.379 1.5405 150.488  2.5416  123.754 1.7542 121.003 2.5328 2.750214       3.081003 
1 1 1 4  15 33 o 58.052  2.3546 33.847   1.7921  58.354  2.5166 57.750  3.9803 0.6044922      4.709148 
1 1 1 4  15 35 o 32.277  3.6141 10.620   1.5860  27.535  5.5281 37.019  4.6570 -9.483654      7.228187 
1 1 1 4  15 37 o 70.537  2.0325 49.218   1.9256  67.915  2.3504 73.159  3.3165 -5.244278      4.064919 
1 1 1 4  15 39 o 85.441  1.8615 73.229   2.2056  85.435  2.3168 85.448  2.9143 -0.1283264E-01 3.722974 
1 1 1 4  15 41 o 23.642  5.2097 5.3718   1.7962  19.048  6.3190 28.236  8.2846 -9.187946      10.41942 
1 1 1 4  15 43 f 23.094  4.7016 5.7367   1.6380  24.799  5.9821 21.388  7.2550 3.411385       9.403235 
1 1 1 4  15 45 o 29.030  4.5403 9.7940   1.8398  35.044  4.5550 23.016  7.8556 12.02856       9.080640 
1 1 1 4  15 47 o 48.782  2.9772 24.678   2.0113  48.242  3.7059 49.321  4.6605 -1.078953      5.954328 
1 1 1 4  15 49 o 15.797  4.9275 0.2554   2.0585  14.537  6.3314 17.058  7.5520 -2.520708      9.854935 
1 1 1 4  15 51 o 28.609  5.2171 10.536   2.0813  28.976  6.3440 28.241  8.2841 0.7343521      10.43418 
1 1 1 4  16 0  o 623.570 5.5201 3890.15  68.831  623.570 5.5201 ?       ?      0.000000       0.000000 
1 1 1 4  16 2  o 487.687 3.4027 2378.50  23.446  484.975 4.7002 490.399 4.9216 -5.424042      6.805410 
1 1 1 4  16 4  o 609.325 3.8684 3714.82  33.330  603.604 5.5218 615.047 5.4191 -11.44305      7.736734 
1 1 1 4  16 6  o 398.298 2.7378 1586.40  15.409  396.097 3.7882 400.500 3.9538 -4.402954      5.475647 
1 1 1 4  16 8  o 90.740  1.6542 82.611   2.0897  92.218  2.0772 89.261  2.5752 2.957123       3.308481 
1 1 1 4  16 10 o 225.404 1.7927 508.004  5.7130  222.147 2.5293 228.661 2.5410 -6.514160      3.585309 
1 1 1 4  16 12 o 389.683 2.6765 1519.16  14.749  386.816 3.7965 392.550 3.7736 -5.733368      5.352925 
1 1 1 4  16 14 o 311.388 2.2412 969.976  9.8565  311.251 3.2617 311.524 3.0744 -0.2727356     4.482304 
1 1 1 4  16 16 o 222.942 1.8381 496.394  5.7275  224.870 2.8110 221.015 2.3690 3.855194       3.676129 
1 1 1 4  16 18 o 165.822 1.7990 275.259  4.2141  170.308 2.4744 161.336 2.6120 8.971771       3.597970 
1 1 1 4  16 20 o 324.625 2.2749 1054.52  10.432  324.471 3.3060 324.778 3.1259 -0.3065796     4.549788 
1 1 1 4  16 22 o 334.511 2.3746 1121.38  11.179  330.651 3.5531 338.372 3.1513 -7.721283      4.749247 
1 1 1 4  16 24 o 128.274 1.3599 164.502  2.4379  128.717 2.0834 127.830 1.7482 0.8871460      2.719730 
1 1 1 4  16 26 o 74.497  1.8502 55.577   1.9469  75.612  2.5333 73.382  2.6974 2.230179       3.700478 
1 1 1 4  16 28 o 235.372 2.3020 554.345  7.3614  234.843 2.6917 235.902 3.7352 -1.058746      4.603981 
1 1 1 4  16 30 o 175.611 1.8641 307.018  4.1915  173.688 1.9116 177.535 3.2009 -3.847504      3.728252 
1 1 1 4  16 32 o 210.831 2.0691 444.449  5.6426  210.100 2.1577 211.562 3.5311 -1.462418      4.138179 
1 1 1 4  16 34 o 60.042  2.0968 36.160   1.7089  60.172  2.4406 59.913  3.4103 0.2595596      4.193666 
1 1 1 4  16 36 o 57.283  2.7701 32.960   2.0188  57.201  2.7906 57.366  4.7861 -0.1644821     5.540228 
1 1 1 4  16 38 o 71.135  1.8494 50.728   1.8318  70.933  2.3404 71.336  2.8642 -0.4030075     3.698790 
1 1 1 4  16 40 f 25.961  5.2236 7.1894   2.0585  28.971  6.1381 22.952  8.4540 6.019009       10.44728 
1 1 1 4  16 42 o 21.310  4.8618 4.1982   1.7673  16.096  6.4736 26.523  7.2555 -10.42691      9.723681 
1 1 1 4  16 44 o 23.199  5.2631 5.7383   1.8784  22.385  6.4769 24.012  8.2975 -1.627335      10.52614 
1 1 1 4  16 46 o 20.656  5.3117 3.9108   1.9155  15.783  6.3449 25.528  8.5206 -9.744726      10.62344 
1 1 1 4  16 48 o 17.792  4.9193 1.7653   1.9831  19.966  6.6000 15.617  7.2965 4.349024       9.838631 
1 1 1 4  16 50 o 29.513  4.6303 10.433   1.8787  28.493  6.4273 30.533  6.6670 -2.039415      9.260626 
1 1 1 4  16 52 o 16.474  4.9756 1.7592   2.1385  18.573  7.4509 14.375  6.5962 4.198005       9.951182 
1 1 1 4  17 1  o 518.606 3.5139 2691.41  25.763  512.363 5.0471 524.849 4.8905 -12.48615      7.027824 
1 1 1 4  17 3  o 505.690 3.3525 2558.15  23.974  502.794 4.7241 508.586 4.7582 -5.791473      6.704993 
1 1 1 4  17 5  o 244.689 1.9753 598.451  6.8171  242.929 2.6809 246.449 2.9017 -3.519135      3.950612 
1 1 1 4  17 7  o 311.305 2.3665 969.711  10.394  309.845 3.4826 312.764 3.2051 -2.918427      4.733025 
1 1 1 4  17 9  o 386.167 2.7721 1490.56  15.094  389.995 4.0767 382.340 3.7575 7.654755       5.544169 
1 1 1 4  17 11 o 202.188 1.8087 408.851  5.1711  201.241 2.5383 203.135 2.5775 -1.893692      3.617472 
1 1 1 4  17 13 o 341.851 2.5710 1169.67  12.409  339.568 3.7607 344.134 3.5067 -4.566559      5.141952 
1 1 1 4  17 15 f 420.502 2.8143 1768.31  16.694  423.723 4.1289 417.281 3.8254 6.441833       5.628611 
1 1 1 4  17 17 o 203.344 1.6783 413.357  4.8036  204.440 2.4986 202.249 2.2415 2.190826       3.356643 
1 1 1 4  17 19 o 248.418 1.8746 616.826  6.5462  250.209 2.8071 246.626 2.4854 3.582703       3.749247 
1 1 1 4  17 21 o 117.806 1.5602 138.259  2.5383  119.724 2.4533 115.888 1.9284 3.835533       3.120435 
1 1 1 4  17 23 o 81.932  1.5483 67.006   1.7673  82.863  2.3887 81.001  1.9707 1.861664       3.096696 
1 1 1 4  17 25 o 110.693 1.5509 122.620  2.4246  110.230 2.2591 111.156 2.1254 -0.9258881     3.101711 
1 1 1 4  17 27 o 160.490 1.6926 258.269  3.8268  164.015 2.2579 156.965 2.5221 7.050110       3.385108 
1 1 1 4  17 29 o 158.055 1.8961 251.365  4.1118  160.850 2.2627 155.261 3.0432 5.589005       3.792210 
1 1 1 4  17 31 o 112.143 1.6003 126.185  2.5023  113.520 2.0249 110.766 2.4787 2.754028       3.200642 
1 1 1 4  17 33 o 40.557  3.0659 16.485   1.7414  39.867  4.0040 41.247  4.6441 -1.379559      6.131807 
1 1 1 4  17 35 o 60.382  1.9481 36.387   1.6380  58.975  2.4901 61.790  2.9967 -2.815025      3.896293 
1 1 1 4  17 37 o 84.904  1.6279 72.044   1.9218  83.724  2.0591 86.083  2.5219 -2.359016      3.255718 
1 1 1 4  17 39 o 77.066  2.0929 59.790   2.1454  77.242  2.3146 76.890  3.4877 0.3515091      4.185871 
1 1 1 4  17 41 o 64.365  2.2741 42.376   1.9500  66.654  2.4906 62.076  3.8057 4.577812       4.548287 
1 1 1 4  17 43 o 49.756  2.7427 25.378   1.9070  51.235  3.4894 48.277  4.2323 2.958321       5.485302 
1 1 1 4  17 45 o 21.008  5.4207 4.0071   1.9136  15.979  6.2841 26.037  8.8343 -10.05760      10.84136 
1 1 1 4  17 47 o 39.219  3.5756 16.381   1.9464  38.042  4.5317 40.397  5.5321 -2.354256      7.151237 
1 1 1 4  17 49 o 19.718  5.4185 4.0864   2.1709  20.335  7.7257 19.101  7.5995 1.234339       10.83694 
1 1 1 4  17 51 o 28.120  5.6925 11.026   2.3188  28.590  6.7917 27.650  9.1373 0.9396400      11.38493 
1 1 1 4  18 0  o 1292.91 10.926 16744.53 282.474 1292.91 10.926 ?       ?      0.000000       0.000000 
1 1 1 4  18 2  o 679.509 4.3188 4621.57  41.501  682.404 6.1193 676.615 6.0961 5.789612       8.637622 
1 1 1 4  18 4  o 529.895 3.4465 2809.73  25.827  529.649 4.8583 530.140 4.8899 -0.4915161     6.893020 
1 1 1 4  18 6  o 440.227 3.1370 1939.68  19.468  438.990 4.6398 441.465 4.2233 -2.474945      6.274074 
1 1 1 4  18 8  o 491.753 3.2181 2419.17  22.366  495.193 4.6290 488.314 4.4719 6.878235       6.436236 
1 1 1 4  18 10 o 384.460 2.6482 1478.38  14.390  387.279 3.8085 381.641 3.6807 5.637451       5.296429 
1 1 1 4  18 12 o 150.648 1.4410 226.936  3.0529  150.922 2.1576 150.374 1.9107 0.5478210      2.882081 
1 1 1 4  18 14 o 217.772 1.8677 474.397  5.7352  217.828 2.7554 217.717 2.5221 0.1107178      3.735403 
1 1 1 4  18 16 o 157.782 1.4932 249.145  3.3006  157.253 2.2738 158.311 1.9360 -1.058258      2.986321 
1 1 1 4  18 18 o 195.397 1.6763 381.984  4.6237  195.165 2.4537 195.628 2.2847 -0.4628906     3.352692 
1 1 1 4  18 20 o 200.743 1.7895 402.106  5.0422  204.503 2.6851 196.983 2.3662 7.520172       3.578952 
1 1 1 4  18 22 o 118.301 1.5672 140.077  2.6116  117.839 2.3299 118.763 2.0968 -0.9233704     3.134482 
1 1 1 4  18 24 o 57.537  2.0764 32.969   1.4873  58.021  3.6315 57.052  2.0145 0.9692612      4.152858 
1 1 1 4  18 26 o 181.370 1.7058 329.241  4.3717  181.015 2.4692 181.725 2.3541 -0.7103729     3.411517 
1 1 1 4  18 28 o 183.254 1.7924 336.030  4.5919  182.647 2.3073 183.861 2.7435 -1.214142      3.584709 
1 1 1 4  18 30 o 140.639 1.5742 197.987  3.1235  140.532 2.1354 140.747 2.3136 -0.2150574     3.148493 
1 1 1 4  18 32 o 121.518 1.6326 147.725  2.7155  121.123 1.9505 121.913 2.6187 -0.7901382     3.265254 
1 1 1 4  18 34 o 65.541  1.8901 42.288   1.7089  60.893  2.4117 70.188  2.9111 -9.294659      3.780279 
1 1 1 4  18 36 o 133.412 1.7582 177.672  3.1049  132.008 1.9347 134.816 2.9364 -2.807053      3.516487 
1 1 1 4  18 38 o 46.896  2.7597 22.173   1.7923  46.546  3.4294 47.246  4.3246 -0.7000275     5.519385 
1 1 1 4  18 40 o 23.905  5.2091 5.9062   1.8816  24.877  5.9703 22.933  8.5379 1.944155       10.41826 
1 1 1 4  18 42 o 22.398  5.1690 5.2292   1.8701  20.900  7.0004 23.897  7.6073 -2.997543      10.33805 
1 1 1 4  18 44 o 29.585  5.2563 9.8607   2.0987  28.065  6.2982 31.105  8.4170 -3.040436      10.51256 
1 1 1 4  18 46 o 30.695  4.5305 11.191   1.8815  36.038  4.6066 25.353  7.8026 10.68503       9.060954 
1 1 1 4  18 48 o 22.320  5.0857 5.9911   1.8398  23.584  6.5429 21.056  7.7877 2.527618       10.17145 
1 1 1 4  18 50 o 21.522  5.4015 6.0019   2.1071  19.236  7.5373 23.808  7.7392 -4.572380      10.80303 
1 1 1 4  19 1  o 113.019 1.6186 127.792  2.5855  114.008 2.2402 112.030 2.3368 1.977821       3.237126 
1 1 1 4  19 3  o 224.955 2.0973 506.185  6.6722  225.948 2.9672 223.962 2.9650 1.986237       4.194682 
1 1 1 4  19 5  o 630.664 4.0569 3982.43  36.159  628.408 5.8627 632.919 5.6091 -4.511414      8.113751 
1 1 1 4  19 7  f 156.052 1.6493 243.435  3.6350  154.641 2.2709 157.462 2.3924 -2.821030      3.298606 
1 1 1 4  19 9  o 188.223 1.7404 354.427  4.6237  187.781 2.5502 188.666 2.3690 -0.8851776     3.480769 
1 1 1 4  19 11 f 307.456 2.4016 945.927  10.437  306.280 3.4606 308.632 3.3308 -2.351807      4.803139 
1 1 1 4  19 13 o 188.488 1.7878 354.681  4.7206  190.837 2.7101 186.140 2.3326 4.697495       3.575685 
1 1 1 4  19 15 o 87.291  1.5870 76.415   1.9344  86.045  2.4488 88.537  2.0193 -2.491516      3.173961 
1 1 1 4  19 17 o 191.709 1.7070 369.148  4.5751  187.041 2.6286 196.378 2.1784 -9.337463      3.413937 
1 1 1 4  19 19 o 89.118  1.6026 80.040   1.9279  87.212  2.6357 91.023  1.8238 -3.810654      3.205159 
1 1 1 4  19 21 o 160.745 1.5362 258.099  3.4444  162.068 2.3638 159.422 1.9625 2.645905       3.072330 
1 1 1 4  19 23 o 192.539 2.0412 369.940  5.3241  194.232 3.3202 190.846 2.3754 3.386200       4.082436 
1 1 1 4  19 25 o 228.980 1.9914 524.692  6.4464  225.123 2.8079 232.837 2.8245 -7.714142      3.982750 
1 1 1 4  19 27 o 37.964  3.2642 14.213   1.6081  39.354  5.5164 36.574  3.4916 2.779930       6.528481 
1 1 1 4  19 29 o 128.899 1.6170 166.292  2.9149  128.738 2.0831 129.060 2.4737 -0.3225861     3.233926 
1 1 1 4  19 31 o 119.155 1.5156 141.949  2.5476  117.099 2.0720 121.210 2.2125 -4.111511      3.031211 
1 1 1 4  19 33 f 40.332  2.9584 16.136   1.6625  37.201  3.9477 43.463  4.4072 -6.262474      5.916738 
1 1 1 4  19 35 o 64.861  2.5821 42.285   2.1550  64.809  2.6601 64.913  4.4264 -0.1040878     5.164164 
1 1 1 4  19 37 o 60.716  2.4923 37.296   2.0587  61.523  2.9059 59.909  4.0500 1.613983       4.984692 
1 1 1 4  19 39 o 73.583  2.4608 55.601   2.3384  76.262  2.5118 70.904  4.2324 5.357689       4.921643 
1 1 1 4  19 41 o 22.054  4.6980 5.1949   1.5733  22.272  6.1209 21.837  7.1288 0.4347897      9.396051 
1 1 1 4  19 43 f 68.027  2.5054 46.996   2.3225  66.163  2.9916 69.891  4.0197 -3.727188      5.010808 
1 1 1 4  19 45 o 19.561  5.1973 3.7074   1.9256  19.683  6.7361 19.438  7.9165 0.2453308      10.39452 
1 1 1 4  19 47 o 50.887  3.1294 27.979   2.1913  54.762  3.7311 47.013  5.0252 7.749405       6.258851 
1 1 1 4  19 49 o 19.188  5.3414 4.1798   2.1004  18.615  7.1166 19.761  7.9673 -1.146530      10.68285 
1 1 1 4  20 0  o 195.551 2.9074 382.720  11.365  195.551 2.9074 ?       ?      0.000000       0.000000 
1 1 1 4  20 2  o 75.176  1.6493 55.903   1.7274  79.335  2.4949 71.016  2.1578 8.319527       3.298629 
1 1 1 4  20 4  o 371.332 2.6334 1379.91  13.818  369.866 3.8152 372.798 3.6310 -2.931915      5.266834 
1 1 1 4  20 6  o 235.948 1.9520 556.929  6.5121  236.490 2.7269 235.406 2.7937 1.084000       3.903977 
1 1 1 4  20 8  o 185.956 1.7773 345.244  4.6182  187.908 2.7184 184.005 2.2902 3.903488       3.554533 
1 1 1 4  20 10 o 295.944 2.1227 875.637  8.8458  297.835 3.1514 294.054 2.8445 3.781036       4.245318 
1 1 1 4  20 12 o 224.736 1.9412 504.379  6.1244  227.584 2.9178 221.889 2.5611 5.694717       3.882342 
1 1 1 4  20 14 o 110.564 1.5515 122.075  2.4196  112.814 2.2639 108.314 2.1222 4.500435       3.103055 
1 1 1 4  20 16 o 220.285 1.7951 485.595  5.5780  219.846 2.6429 220.725 2.4299 -0.8789978     3.590215 
1 1 1 4  20 18 o 96.095  1.5387 92.206   2.0354  96.786  2.4409 95.403  1.8740 1.382637       3.077301 
1 1 1 4  20 20 f 58.119  2.4061 32.514   1.8475  63.374  3.9293 52.863  2.7781 10.51160       4.812175 
1 1 1 4  20 22 o 141.697 1.5540 200.193  3.0411  143.646 2.4447 139.748 1.9190 3.898026       3.107934 
1 1 1 4  20 24 o 39.497  2.8301 15.790   1.4659  38.590  4.7983 40.404  3.0026 -1.813591      5.660285 
1 1 1 4  20 26 o 51.162  2.8853 25.202   1.8978  55.231  4.8554 47.092  3.1185 8.138893       5.770610 
1 1 1 4  20 28 o 22.175  4.5938 5.0442   1.5324  22.292  6.4857 22.059  6.5075 0.2334175      9.187585 
1 1 1 4  20 30 o 69.058  1.6353 47.745   1.5937  68.785  2.2278 69.331  2.3945 -0.5467148     3.270588 
1 1 1 4  20 32 o 118.856 1.5790 141.239  2.6309  117.290 2.0687 120.422 2.3860 -3.132195      3.157902 
1 1 1 4  20 34 o 85.779  2.0548 74.981   2.2714  88.530  2.0916 83.028  3.5375 5.501801       4.109586 
1 1 1 4  20 36 o 132.624 1.8778 176.064  3.2777  131.712 2.0360 133.535 3.1558 -1.822601      3.755620 
1 1 1 4  20 38 o 48.793  3.3674 24.626   2.2303  51.330  3.8561 46.256  5.5215 5.074467       6.734737 
1 1 1 4  20 40 f 61.619  2.2263 38.374   1.8623  61.431  2.5984 61.806  3.6157 -0.3750534     4.452588 
1 1 1 4  20 42 o 65.754  2.4939 44.241   2.2543  65.589  3.0178 65.919  3.9713 -0.3308792     4.987858 
1 1 1 4  20 44 o 34.778  4.1667 13.394   1.9050  36.575  4.5390 32.982  6.9889 3.592777       8.333488 
1 1 1 4  20 46 o 27.877  5.0527 9.4012   2.0108  29.512  6.8358 26.242  7.4425 3.269287       10.10536 
1 1 1 4  20 48 o 24.317  5.4188 7.7715   2.0523  25.661  6.2663 22.973  8.8424 2.687677       10.83764 
1 1 1 4  21 1  o 241.310 2.1520 582.565  7.3406  241.232 2.9909 241.387 3.0948 -0.1549225     4.303905 
1 1 1 4  21 3  o 203.333 2.0097 413.647  5.7783  204.370 2.8118 202.296 2.8722 2.073456       4.019456 
1 1 1 4  21 5  o 173.204 1.7726 300.097  4.3418  172.983 2.5100 173.426 2.5036 -0.4423828     3.545111 
1 1 1 4  21 7  o 253.743 2.0306 643.611  7.2515  255.586 3.0228 251.901 2.7122 3.684708       4.061204 
1 1 1 4  21 9  o 115.800 1.5602 134.019  2.5476  116.928 2.2935 114.671 2.1159 2.257164       3.120413 
1 1 1 4  21 11 o 238.421 1.9856 569.220  6.6380  237.126 3.0158 239.716 2.5837 -2.590042      3.971210 
1 1 1 4  21 13 o 296.399 2.2243 879.189  9.3182  296.652 3.2070 296.145 3.0832 0.5073242      4.448693 
1 1 1 4  21 15 o 275.481 2.1325 759.978  8.2961  272.729 3.1137 278.233 2.9145 -5.504089      4.264917 
1 1 1 4  21 17 o 67.675  1.8862 46.009   1.7673  66.537  2.9748 68.812  2.3197 -2.274780      3.772372 
1 1 1 4  21 19 o 211.703 1.9366 448.076  5.7275  212.879 2.9694 210.527 2.4870 2.351486       3.873277 
1 1 1 4  21 21 o 232.119 1.9380 538.882  6.3260  233.631 2.8969 230.607 2.5750 3.023712       3.875922 
1 1 1 4  21 23 o 101.132 1.8099 102.085  2.5666  103.017 2.7271 99.247  2.3804 3.770584       3.619879 
1 1 1 4  21 25 f 118.616 1.6342 140.639  2.6502  119.189 2.6250 118.043 1.9473 1.145607       3.268384 
1 1 1 4  21 27 o 140.760 1.7218 198.605  3.4014  139.547 2.6081 141.973 2.2487 -2.425903      3.443628 
1 1 1 4  21 29 o 216.376 1.9925 469.356  5.9107  216.636 2.3874 216.116 3.1908 0.5196686      3.985070 
1 1 1 4  21 31 o 107.028 1.6272 114.513  2.4379  108.500 2.4716 105.556 2.1171 2.943939       3.254410 
1 1 1 4  21 33 o 36.597  3.1512 13.476   1.6226  33.739  4.5420 39.456  4.3693 -5.717457      6.302439 
1 1 1 4  21 35 o 38.260  3.4766 15.005   1.8517  42.182  4.3897 34.338  5.3924 7.843636       6.953279 
1 1 1 4  21 37 o 43.049  3.8852 18.779   2.1213  42.304  3.9242 43.794  6.7066 -1.490051      7.770349 
1 1 1 4  21 39 o 34.886  3.8157 12.815   1.8057  35.976  4.6146 33.796  6.0781 2.179916       7.631370 
1 1 1 4  21 41 o 14.902  4.5804 -0.9672  1.9344  16.874  6.8242 12.930  6.1116 3.943517       9.160841 
1 1 1 4  21 43 o 47.831  3.2448 23.517   2.1469  43.734  4.2339 51.928  4.9183 -8.194267      6.489690 
1 1 1 4  21 45 o 21.146  5.4416 4.8240   2.1156  18.127  7.1616 24.165  8.1948 -6.038092      10.88321 
1 1 1 4  21 47 o 19.430  5.4379 4.0864   2.2348  20.595  7.8344 18.265  7.5434 2.329586       10.87570 
1 1 1 4  21 49 o 18.017  5.1544 3.1414   1.9921  13.736  6.0840 22.299  8.3220 -8.563576      10.30881 
1 1 1 4  22 0  o 656.053 5.9671 4309.78  78.281  656.053 5.9671 ?       ?      0.000000       0.000000 
1 1 1 4  22 2  o 550.416 3.6872 3034.71  28.701  548.744 5.2361 552.087 5.1928 -3.342957      7.374408 
1 1 1 4  22 4  o 45.513  2.3269 20.416   1.4672  48.454  3.5579 42.571  2.9997 5.882771       4.653728 
1 1 1 4  22 6  o 378.241 2.7452 1429.45  14.639  370.557 3.7391 385.924 4.0204 -15.36783      5.490403 
1 1 1 4  22 8  o 309.903 2.3609 961.063  10.334  310.637 3.4326 309.169 3.2424 1.467499       4.721884 
1 1 1 4  22 10 o 219.204 1.8846 480.770  5.8421  218.186 2.6630 220.223 2.6674 -2.037598      3.769200 
1 1 1 4  22 12 o 239.955 2.0902 576.322  7.0782  239.536 3.0654 240.374 2.8422 -0.8388519     4.180331 
1 1 1 4  22 14 o 198.950 1.7295 396.287  4.8316  198.092 2.6109 199.809 2.2689 -1.717148      3.458946 
1 1 1 4  22 16 o 95.456  1.7270 91.196   2.3301  94.787  2.4924 96.126  2.3913 -1.339363      3.454010 
1 1 1 4  22 18 o 162.349 1.7614 263.584  3.8780  162.664 2.8655 162.034 2.0491 0.6298523      3.522731 
1 1 1 4  22 20 o 132.471 1.8267 175.763  3.4085  131.574 2.7176 133.368 2.4416 -1.794571      3.653338 
1 1 1 4  22 22 o 174.214 1.7423 303.191  4.2313  176.046 2.6839 172.383 2.2224 3.663162       3.484609 
1 1 1 4  22 24 o 137.158 1.8165 188.712  3.5013  135.215 2.7388 139.100 2.3869 -3.884674      3.632995 
1 1 1 4  22 26 o 38.821  3.0904 15.059   1.5717  39.199  5.2125 38.444  3.3217 0.7545433      6.180896 
1 1 1 4  22 28 o 144.195 1.6456 208.016  3.3372  145.552 2.4566 142.838 2.1904 2.714066       3.291291 
1 1 1 4  22 30 o 62.252  2.0294 38.593   1.7673  64.898  3.0500 59.607  2.6780 5.290794       4.058819 
1 1 1 4  22 32 o 119.193 1.6672 142.326  2.8036  120.330 2.4409 118.055 2.2716 2.275429       3.334367 
1 1 1 4  22 34 f 117.303 1.6964 138.187  2.8036  116.548 2.5201 118.057 2.2715 -1.508652      3.392755 
1 1 1 4  22 36 o 26.716  4.9159 7.4002   1.7618  24.186  5.8609 29.245  7.8940 -5.059023      9.831852 
1 1 1 4  22 38 o 25.162  4.9817 6.9419   1.9050  28.343  6.0369 21.982  7.9263 6.360956       9.963408 
1 1 1 4  22 40 o 42.478  3.5532 18.484   2.0585  39.209  4.3968 45.746  5.5830 -6.537163      7.106460 
1 1 1 4  22 42 o 28.021  4.6473 8.9637   1.8192  30.463  6.0842 25.579  7.0266 4.883968       9.294636 
1 1 1 4  22 44 o 16.857  5.1555 0.8886   2.2117  16.488  6.8415 17.226  7.7143 -0.7377872     10.31094 
1 1 1 4  22 46 o 17.088  5.1762 1.7656   2.0987  14.789  6.3844 19.388  8.1495 -4.599503      10.35250 
1 1 1 4  22 48 o 16.215  4.9950 1.5963   2.1709  15.139  6.8165 17.291  7.3031 -2.151848      9.990025 
1 1 1 4  23 1  o 128.315 1.6185 164.656  2.9357  129.707 2.3136 126.923 2.2638 2.784332       3.236929 
1 1 1 4  23 3  o 211.965 1.9097 449.131  5.6845  213.387 2.8725 210.543 2.5171 2.844040       3.819338 
1 1 1 4  23 5  o 159.333 1.7438 253.940  3.9203  159.770 2.5577 158.895 2.3709 0.8751831      3.487514 
1 1 1 4  23 7  o 321.404 2.3529 1033.92  10.694  319.073 3.3219 323.736 3.3332 -4.663025      4.705842 
1 1 1 4  23 9  o 184.299 1.7400 339.679  4.5253  185.559 2.5463 183.039 2.3721 2.519913       3.480026 
1 1 1 4  23 11 o 133.642 1.6091 177.438  2.9761  137.478 2.5080 129.805 2.0168 7.672607       3.218281 
1 1 1 4  23 13 o 132.559 1.4985 175.714  2.8080  130.392 2.1056 134.725 2.1327 -4.332367      2.997006 
1 1 1 4  23 15 o 158.870 1.7336 252.417  3.8907  160.555 2.5054 157.186 2.3966 3.369125       3.467138 
1 1 1 4  23 17 o 103.277 1.8825 108.006  2.5109  100.753 3.2320 105.801 1.9312 -5.048363      3.765038 
1 1 1 4  23 19 o 130.436 1.8000 169.992  3.3092  132.827 2.6439 128.044 2.4434 4.783081       3.600051 
1 1 1 4  23 21 o 185.932 1.8861 347.303  4.8634  183.210 2.9623 188.655 2.3353 -5.444397      3.772148 
1 1 1 4  23 23 o 59.900  2.3253 36.273   1.9427  56.536  3.6140 63.265  2.9269 -6.728935      4.650561 
1 1 1 4  23 25 o 30.012  5.0494 9.2726   1.7916  29.136  9.2137 30.887  4.1344 -1.751154      10.09881 
1 1 1 4  23 27 o 121.875 1.9078 148.878  3.2880  122.763 2.7046 120.988 2.6915 1.775597       3.815607 
1 1 1 4  23 29 o 149.550 1.7063 224.171  3.6050  149.453 2.3498 149.648 2.4747 -0.1947937     3.412549 
1 1 1 4  23 31 o 97.672  1.6874 95.648   2.3301  97.668  2.4189 97.675  2.3533 -0.7019043E-02 3.374775 
1 1 1 4  23 33 o 43.648  3.0963 19.728   1.8318  47.213  3.5162 40.082  5.0976 7.130695       6.192647 
1 1 1 4  23 35 o 47.464  2.8124 22.722   1.8571  46.332  3.5831 48.597  4.3358 -2.265167      5.624735 
1 1 1 4  23 37 o 74.601  2.2178 55.870   2.2776  72.467  2.7314 76.734  3.4948 -4.266853      4.435576 
1 1 1 4  23 39 o 19.345  5.5045 2.5920   2.3003  19.504  7.3866 19.187  8.1632 0.3165359      11.00910 
1 1 1 4  23 41 o 20.624  5.0721 4.5099   1.7923  20.064  6.7361 21.184  7.5849 -1.120186      10.14423 
1 1 1 4  23 43 o 19.218  5.1032 3.6757   1.9134  20.568  7.2349 17.867  7.1992 2.701628       10.20650 
1 1 1 4  23 45 o 18.849  5.1728 3.0972   2.1044  17.022  7.7357 20.677  6.8695 -3.654186      10.34559 
1 1 1 4  23 47 o 27.415  5.1289 10.112   2.1051  32.639  6.8677 22.191  7.6195 10.44798       10.25782 
1 1 1 4  24 0  o 214.307 2.9210 459.723  12.515  214.307 2.9210 ?       ?      0.000000       0.000000 
1 1 1 4  24 2  o 280.828 2.1625 789.407  8.5878  281.977 3.0343 279.679 3.0820 2.298340       4.325021 
1 1 1 4  24 4  o 196.049 1.8927 384.783  5.2163  195.421 2.8426 196.676 2.4998 -1.254959      3.785385 
1 1 1 4  24 6  o 128.513 1.6696 164.852  3.0164  130.917 2.4874 126.108 2.2278 4.808418       3.339156 
1 1 1 4  24 8  o 274.099 2.2325 752.198  8.6507  272.384 3.2115 275.814 3.1021 -3.430481      4.465022 
1 1 1 4  24 10 o 265.221 2.1887 704.342  8.2017  263.290 3.1769 267.152 3.0115 -3.861908      4.377372 
1 1 1 4  24 12 f 228.402 1.8994 522.303  6.1237  227.012 2.7845 229.791 2.5841 -2.778870      3.798849 
1 1 1 4  24 14 o 157.027 1.6693 246.390  3.6857  158.828 2.4925 155.225 2.2212 3.603561       3.338602 
1 1 1 4  24 16 o 124.562 1.7778 156.021  3.0569  122.166 2.8223 126.957 2.1626 -4.791405      3.555606 
1 1 1 4  24 18 o 268.327 2.4494 721.630  9.2849  269.268 3.3672 267.385 3.5581 1.883087       4.898744 
1 1 1 4  24 20 o 287.084 2.7478 826.786  11.115  286.863 4.0732 287.305 3.6892 -0.4426270     5.495574 
1 1 1 4  24 22 o 144.214 1.7613 208.847  3.5654  140.951 2.6727 147.478 2.2946 -6.527603      3.522583 
1 1 1 4  24 24 o 48.534  2.8320 23.300   1.9050  51.662  4.3258 45.406  3.6562 6.255741       5.663907 
1 1 1 4  24 26 o 88.510  1.8818 78.478   2.2776  88.693  3.0236 88.326  2.2410 0.3674545      3.763521 
1 1 1 4  24 28 o 65.459  2.3781 42.613   2.1654  68.637  3.6281 62.282  3.0755 6.354412       4.756230 
1 1 1 4  24 30 o 114.191 1.5816 130.702  2.5540  113.437 2.2515 114.946 2.2219 -1.509712      3.163254 
1 1 1 4  24 32 o 14.208  4.3641 -0.7373  1.6770  15.125  6.2466 13.291  6.0960 1.834524       8.728173 
1 1 1 4  24 34 o 97.984  1.8236 96.385   2.5023  96.765  2.3755 99.202  2.7677 -2.436768      3.647291 
1 1 1 4  24 36 o 16.635  4.9353 0.6076   1.9711  18.624  7.4594 14.646  6.4642 3.978036       9.870560 
1 1 1 4  24 38 o 30.918  5.4130 10.085   2.2230  23.155  6.9188 38.681  8.3267 -15.52639      10.82608 
1 1 1 4  24 40 o 25.748  5.8669 7.7763   2.4196  26.108  8.5206 25.388  8.0674 0.7198353      11.73383 
1 1 1 4  24 42 o 16.324  4.9535 0.1521   2.1690  18.756  7.4792 13.891  6.4968 4.865190       9.906909 
1 1 1 4  24 44 o 31.741  4.7868 12.159   2.0761  34.603  5.3512 28.879  7.9385 5.724131       9.573633 
1 1 1 4  24 46 o 23.769  6.1824 8.3095   2.6253  22.284  7.8343 25.254  9.5661 -2.970432      12.36474 
1 1 1 4  25 1  o 175.533 1.8006 308.334  4.4695  174.351 2.5635 176.715 2.5292 -2.364365      3.601205 
1 1 1 4  25 3  o 177.068 1.8101 313.532  4.5298  180.004 2.5894 174.133 2.5301 5.871140       3.620285 
1 1 1 4  25 5  o 182.820 1.9889 334.583  5.1382  183.853 2.7436 181.787 2.8801 2.066071       3.977759 
1 1 1 4  25 7  o 201.620 1.9939 406.924  5.6798  202.383 2.7448 200.856 2.8928 1.527786       3.987761 
1 1 1 4  25 9  o 182.450 1.9059 333.215  4.9157  181.538 2.7434 183.362 2.6465 -1.823868      3.811850 
1 1 1 4  25 11 o 247.054 2.1841 611.133  7.6289  247.381 3.0457 246.727 3.1314 0.6538086      4.368228 
1 1 1 4  25 13 o 247.145 2.5586 613.581  8.5007  245.208 4.2184 249.082 2.8967 -3.873795      5.117162 
1 1 1 4  25 15 o 150.771 1.9164 227.540  4.0854  148.932 2.7009 152.611 2.7195 -3.678741      3.832869 
1 1 1 4  25 17 o 155.196 1.7633 241.478  3.7629  154.410 2.8119 155.983 2.1286 -1.572510      3.526692 
1 1 1 4  25 19 o 79.627  2.0005 64.542   2.0789  76.713  3.4125 82.540  2.0886 -5.826241      4.000976 
1 1 1 4  25 21 o 151.494 1.9074 229.862  4.0864  151.157 2.7034 151.832 2.6914 -0.6743469     3.814745 
1 1 1 4  25 23 o 147.368 1.8030 217.078  3.6739  148.720 2.8336 146.017 2.2301 2.702866       3.605938 
1 1 1 4  25 25 o 121.076 1.7657 147.462  2.9792  118.732 2.7426 123.420 2.2246 -4.687538      3.531393 
1 1 1 4  25 27 o 105.420 1.8330 111.632  2.6832  104.719 2.8657 106.120 2.2864 -1.400978      3.666055 
1 1 1 4  25 29 o 164.645 1.8101 271.939  4.2141  163.074 2.5842 166.215 2.5353 -3.141235      3.620219 
1 1 1 4  25 31 o 25.880  4.9286 7.1777   1.8429  25.242  7.3798 26.517  6.5348 -1.275078      9.857230 
1 1 1 4  25 33 o 35.607  5.3185 13.253   2.4294  36.885  9.0560 34.328  5.5800 2.556324       10.63709 
1 1 1 4  25 35 o 24.010  5.1876 6.0832   2.0374  20.643  8.1624 27.377  6.4046 -6.733503      10.37515 
1 1 1 4  25 37 o 19.380  5.3264 1.7878   2.2702  24.831  8.5196 13.930  6.3951 10.90094       10.65272 
1 1 1 4  25 39 o 15.349  4.8187 -0.8386  2.1271  16.092  6.8913 14.607  6.7371 1.485049       9.637308 
1 1 1 4  25 41 f 58.295  3.2211 35.673   2.5848  55.960  3.9935 60.630  5.0550 -4.669270      6.442102 
1 1 1 4  25 43 o 28.858  4.6910 9.9260   1.8701  26.039  6.6073 31.677  6.6608 -5.637484      9.382058 
1 1 1 4  25 45 o 18.125  5.1234 3.5695   2.0067  16.297  6.8705 19.953  7.6023 -3.656368      10.24686 
1 1 1 4  26 0  o 21.571  7.9992 6.2573   3.1925  21.571  7.9992 ?       ?      0.000000       0.000000 
1 1 1 4  26 2  o 139.376 1.7173 194.425  3.3841  141.094 2.3985 137.658 2.4583 3.435898       3.434527 
1 1 1 4  26 4  o 161.758 1.7027 261.851  3.8949  161.027 2.4188 162.488 2.3970 -1.460495      3.405318 
1 1 1 4  26 6  o 77.801  1.9912 60.491   2.1240  78.240  3.1827 77.361  2.3935 0.8795013      3.982301 
1 1 1 4  26 8  o 94.905  1.8834 90.181   2.5120  94.698  2.8319 95.113  2.4839 -0.4151382     3.766838 
1 1 1 4  26 10 o 79.271  2.1525 62.447   2.3225  81.105  3.4639 77.436  2.5561 3.669373       4.304933 
1 1 1 4  26 12 o 246.253 2.2736 607.429  7.9169  243.521 3.2250 248.985 3.2055 -5.464050      4.547114 
1 1 1 4  26 14 o 209.784 2.0476 440.864  6.0490  209.583 3.0466 209.985 2.7366 -0.4018402     4.095207 
1 1 1 4  26 16 o 51.811  2.7583 26.781   1.9702  52.896  4.3455 50.726  3.3986 2.170181       5.516666 
1 1 1 4  26 18 o 91.947  1.9653 83.809   2.4053  94.244  3.2520 89.651  2.2079 4.592957       3.930672 
1 1 1 4  26 20 o 101.418 2.0588 103.389  2.9246  99.358  3.1489 103.478 2.6533 -4.120377      4.117693 
1 1 1 4  26 22 o 86.486  2.2438 74.647   2.7218  89.596  3.3494 83.376  2.9867 6.220543       4.487648 
1 1 1 4  26 24 o 125.532 1.9557 157.394  3.3723  127.358 3.1083 123.705 2.3743 3.653404       3.911402 
1 1 1 4  26 26 o 137.473 2.1290 188.763  3.8431  139.040 3.5819 135.906 2.3021 3.133408       4.257926 
1 1 1 4  26 28 o 32.174  5.6475 10.584   2.1678  32.179  10.241 32.170  4.7635 0.8823395E-02  11.29499 
1 1 1 4  26 30 o 57.774  2.7753 33.700   2.2626  60.620  3.8972 54.929  3.9522 5.691250       5.550512 
1 1 1 4  26 32 o 77.886  2.3472 61.254   2.5824  76.073  3.2734 79.699  3.3648 -3.625870      4.694382 
1 1 1 4  26 34 o 36.617  4.2024 14.414   2.0707  32.955  6.8185 40.279  4.9141 -7.324440      8.404794 
1 1 1 4  26 36 o 22.270  5.5347 5.1813   2.1540  24.356  8.1948 20.183  7.4416 4.173485       11.06944 
1 1 1 4  26 38 o 20.683  5.1178 4.1716   1.9986  17.313  7.3074 24.052  7.1671 -6.738960      10.23552 
1 1 1 4  26 40 o 16.952  5.0582 1.3409   2.1071  18.280  7.4021 15.623  6.8956 2.656676       10.11637 
1 1 1 4  26 42 o 19.802  5.7597 3.3927   2.4720  16.058  6.9417 23.546  9.1930 -7.487595      11.51949 
1 1 1 4  26 44 o 17.839  5.8652 1.2897   2.6400  13.047  6.0287 22.632  10.063 -9.584982      11.73033 
1 1 1 4  27 1  o 23.006  5.2170 5.1708   1.9344  23.952  7.0171 22.061  7.7218 1.891605       10.43392 
1 1 1 4  27 3  o 56.320  2.5649 31.750   2.0412  57.677  3.6532 54.963  3.6013 2.714279       5.129827 
1 1 1 4  27 5  o 39.724  4.2102 16.761   2.1240  35.304  7.3012 44.144  4.1946 -8.839886      8.420313 
1 1 1 4  27 7  o 74.651  2.1686 54.710   2.1367  78.045  3.5997 71.257  2.4194 6.787910       4.337218 
1 1 1 4  27 9  o 87.508  2.0387 76.397   2.5023  89.757  3.0589 85.258  2.6961 4.499435       4.077438 
1 1 1 4  27 11 o 61.851  2.2000 38.461   1.9134  59.730  3.3138 63.971  2.8945 -4.240547      4.399980 
1 1 1 4  27 13 o 111.725 1.8932 125.080  2.9275  111.476 2.9784 111.974 2.3379 -0.4975739     3.786399 
1 1 1 4  27 15 o 16.909  4.6828 1.3025   1.6857  15.727  6.9231 18.092  6.3075 -2.365461      9.365547 
1 1 1 4  27 17 o 122.449 1.7958 149.721  2.9571  123.405 2.9492 121.492 2.0497 1.913322       3.591504 
1 1 1 4  27 19 o 71.730  2.5561 51.745   2.2921  71.434  4.4692 72.026  2.4822 -0.5920639     5.112208 
1 1 1 4  27 21 o 117.396 1.9240 138.783  3.1216  115.268 3.0466 119.525 2.3505 -4.257423      3.847947 
1 1 1 4  27 23 o 84.023  2.5066 69.597   2.5540  86.500  4.4289 81.546  2.3490 4.953941       5.013301 
1 1 1 4  27 25 o 22.237  5.2733 4.6391   1.8816  22.107  8.4590 22.367  6.2988 -0.2600937     10.54654 
1 1 1 4  27 27 o 80.222  2.3766 64.866   2.5633  79.924  3.9146 80.519  2.6961 -0.5953522     4.753214 
1 1 1 4  27 29 o 61.528  2.9677 38.489   2.3264  60.964  5.1320 62.092  2.9821 -1.127987      5.935488 
1 1 1 4  27 31 o 47.498  3.4120 23.290   2.2662  43.853  5.2417 51.144  4.3695 -7.291512      6.824091 
1 1 1 4  27 33 o 23.715  5.4660 6.0097   2.1051  24.041  7.6026 23.388  7.8556 0.6531506      10.93204 
1 1 1 4  27 35 f 38.466  3.6369 15.437   1.9464  40.273  5.5491 36.660  4.7026 3.612488       7.273703 
1 1 1 4  27 37 o 22.111  5.2178 5.4826   1.9134  21.676  7.2550 22.546  7.5010 -0.8698349     10.43552 
1 1 1 4  27 39 o 18.937  5.1671 2.7317   2.1654  15.952  7.2351 21.923  7.3790 -5.970447      10.33427 
1 1 1 4  27 41 o 16.019  5.4406 -4.0927  3.0110  12.179  5.9412 19.859  9.1160 -7.679805      10.88114 
1 1 1 4  27 43 o 16.959  5.1825 2.2411   2.1655  15.606  6.6113 18.312  7.9826 -2.705332      10.36492 
1 1 1 4  28 0  o 343.825 4.5702 1185.19  31.414  343.825 4.5702 ?       ?      0.000000       0.000000 
1 1 1 4  28 2  o 194.231 2.3201 377.882  6.2122  194.523 3.6763 193.939 2.8314 0.5840607      4.640237 
1 1 1 4  28 4  o 81.724  2.4358 67.047   2.8080  79.883  3.5968 83.564  3.2856 -3.680862      4.871582 
1 1 1 4  28 6  f 216.112 2.3343 468.426  7.0046  215.337 3.6471 216.887 2.9145 -1.550400      4.668611 
1 1 1 4  28 8  o 192.048 2.0476 369.672  5.5484  190.756 3.0125 193.340 2.7741 -2.583740      4.095217 
1 1 1 4  28 10 o 161.705 1.9392 262.264  4.3603  160.613 3.0213 162.797 2.4317 -2.183960      3.878333 
1 1 1 4  28 12 o 281.425 2.3812 795.107  9.4287  277.163 3.5708 285.686 3.1513 -8.523132      4.762477 
1 1 1 4  28 14 o 231.263 2.1248 535.104  6.8629  233.272 3.2572 229.255 2.7294 4.017899       4.249624 
1 1 1 4  28 16 o 103.823 1.9687 107.937  2.7377  104.026 3.2531 103.620 2.2183 0.4057922      3.937470 
1 1 1 4  28 18 f 149.034 1.9436 222.759  3.8766  148.874 3.2167 149.193 2.1827 -0.3192749     3.887276 
1 1 1 4  28 20 o 74.244  2.5247 55.671   2.5789  72.822  4.0333 75.665  3.0379 -2.842812      5.049346 
1 1 1 4  28 22 o 133.092 1.9308 177.877  3.5598  132.656 3.0324 133.529 2.3909 -0.8737183     3.861535 
1 1 1 4  28 24 o 87.780  2.2901 78.937   2.4628  84.830  4.0645 90.729  2.1112 -5.899239      4.580129 
1 1 1 4  28 26 o 70.727  2.5481 50.327   2.4538  71.386  4.1144 70.068  3.0072 1.318085       5.096220 
1 1 1 4  28 28 o 43.541  3.5533 19.736   2.0374  41.325  6.0257 45.757  3.7676 -4.431770      7.106663 
1 1 1 4  28 30 o 48.627  3.1583 24.199   2.1709  49.480  4.3874 47.773  4.5442 1.706993       6.316593 
1 1 1 4  28 32 o 26.975  5.3378 8.1090   2.2348  21.894  7.9232 32.056  7.1548 -10.16171      10.67556 
1 1 1 4  28 34 o 50.083  3.1469 25.741   2.1892  46.436  4.1251 53.731  4.7534 -7.294830      6.293729 
1 1 1 4  28 36 o 47.782  3.4063 24.277   2.2968  48.399  4.6174 47.164  5.0090 1.235004       6.812521 
1 1 1 4  28 38 o 43.737  4.0856 21.211   2.5217  44.964  5.5381 42.510  6.0081 2.454659       8.171119 
1 1 1 4  28 40 o 23.253  5.8833 7.0236   2.4578  23.258  8.2716 23.248  8.3686 0.9723663E-02  11.76658 
1 1 1 4  28 42 o 23.532  5.5919 7.7952   2.2123  24.653  7.2765 22.412  8.4929 2.240555       11.18378 
1 1 1 4  29 1  o 271.977 2.3993 741.659  9.2254  270.210 3.4500 273.745 3.3354 -3.535278      4.798699 
1 1 1 4  29 3  o 149.359 1.9494 223.017  4.1062  152.574 2.8457 146.144 2.6651 6.429413       3.898829 
1 1 1 4  29 5  o 148.669 1.9284 221.345  4.0543  147.619 2.7250 149.720 2.7294 -2.100937      3.856822 
1 1 1 4  29 7  o 135.749 1.8296 184.528  3.5106  135.753 2.5399 135.746 2.6341 0.6668091E-02  3.659118 
1 1 1 4  29 9  o 94.621  2.0058 89.532   2.6680  95.925  2.9953 93.317  2.6685 2.607483       4.011595 
1 1 1 4  29 11 o 110.638 1.8772 122.504  2.9316  112.217 2.7312 109.060 2.5760 3.156593       3.754352 
1 1 1 4  29 13 o 96.677  1.8995 93.718   2.5666  96.361  2.9155 96.992  2.4357 -0.6306229     3.799080 
1 1 1 4  29 15 o 65.828  2.6209 43.495   2.2986  65.959  4.3561 65.696  2.9157 0.2635345      5.241871 
1 1 1 4  29 17 o 99.532  2.0667 99.940   2.7377  98.092  3.4499 100.972 2.2765 -2.879990      4.133302 
1 1 1 4  29 19 o 58.544  2.8818 34.409   2.2042  58.935  4.8754 58.154  3.0742 0.7800827      5.763691 
1 1 1 4  29 21 o 41.704  3.8652 16.871   2.1851  47.699  5.8899 35.709  5.0067 11.99000       7.730325 
1 1 1 4  29 23 f 65.026  2.9127 44.026   2.3762  61.104  5.1202 68.948  2.7782 -7.844444      5.825387 
1 1 1 4  29 25 o 80.542  2.2706 65.654   2.5141  79.119  3.6316 81.965  2.7265 -2.845917      4.541160 
1 1 1 4  29 27 o 81.989  2.4204 67.600   2.5971  82.832  4.0855 81.145  2.5967 1.687080       4.840828 
1 1 1 4  29 29 o 72.124  2.8932 52.581   2.5798  72.940  5.0772 71.308  2.7758 1.632568       5.786475 
1 1 1 4  29 31 o 29.291  4.9212 9.6992   2.0108  28.702  6.9585 29.880  6.9609 -1.178394      9.842475 
1 1 1 4  29 33 o 35.088  4.8630 14.310   2.2543  39.779  4.9759 30.397  8.3569 9.381817       9.726092 
1 1 1 4  29 35 o 58.706  2.9749 36.347   2.4545  60.563  3.9008 56.849  4.4927 3.714802       5.949821 
1 1 1 4  29 37 o 41.092  3.7988 18.528   2.1987  41.575  5.0681 40.610  5.6603 0.9654999      7.597665 
1 1 1 4  29 39 o 34.277  4.9307 14.462   2.2951  32.725  8.0454 35.829  5.7026 -3.104095      9.861423 
1 1 1 4  29 41 o 15.862  5.1312 0.2267   2.4758  14.321  6.5411 17.402  7.9077 -3.080846      10.26242 
1 1 1 4  30 0  o 285.172 3.5613 814.859  20.304  285.172 3.5613 ?       ?      0.000000       0.000000 
1 1 1 4  30 2  o 235.323 2.1499 555.188  7.1490  233.699 3.1147 236.947 2.9642 -3.247925      4.299721 
1 1 1 4  30 4  o 209.389 2.1250 439.602  6.2878  207.506 3.0770 211.271 2.9315 -3.765411      4.249951 
1 1 1 4  30 6  o 163.212 1.9921 266.904  4.5937  163.809 2.8844 162.615 2.7485 1.193237       3.984262 
1 1 1 4  30 8  o 97.683  2.1493 95.537   2.9605  99.335  3.1496 96.031  2.9255 3.304573       4.298695 
1 1 1 4  30 10 o 88.659  2.0685 78.564   2.5540  90.107  3.1887 87.211  2.6357 2.895691       4.137024 
1 1 1 4  30 12 o 78.527  2.0660 62.106   2.2303  77.318  3.3033 79.736  2.4824 -2.418823      4.132054 
1 1 1 4  30 14 o 40.437  3.4576 16.782   1.8623  38.560  5.7955 42.313  3.7725 -3.752644      6.915158 
1 1 1 4  30 16 o 82.484  2.6154 66.943   2.6803  85.503  4.5553 79.464  2.5712 6.038261       5.230845 
1 1 1 4  30 18 o 99.585  2.0097 99.363   2.5659  99.849  3.4531 99.322  2.0572 0.5269012      4.019474 
1 1 1 4  30 20 o 126.198 2.1488 160.157  3.8300  124.189 3.1363 128.206 2.9384 -4.017479      4.297683 
1 1 1 4  30 22 f 96.372  1.9724 93.217   2.5633  96.838  3.2308 95.906  2.2636 0.9317780      3.944889 
1 1 1 4  30 24 o 41.041  4.8323 18.189   2.4437  38.408  8.5361 43.674  4.5321 -5.266277      9.664631 
1 1 1 4  30 26 o 33.975  5.7796 11.854   2.5100  39.737  9.3118 28.213  6.8487 11.52363       11.55916 
1 1 1 4  30 28 o 26.429  5.2975 7.6880   2.1913  21.978  8.1249 30.881  6.8000 -8.902864      10.59500 
1 1 1 4  30 30 o 42.171  4.4504 18.630   2.5109  39.223  5.2092 45.120  7.2172 -5.896725      8.900800 
1 1 1 4  30 32 o 38.422  3.5802 15.550   1.9344  40.725  5.1738 36.118  4.9499 4.607491       7.160339 
1 1 1 4  30 34 o 28.602  4.7562 9.4243   1.8964  32.943  6.6290 24.261  6.8222 8.682549       9.512377 
1 1 1 4  30 36 o 44.562  3.4130 21.547   2.1385  46.837  4.4987 42.287  5.1337 4.549526       6.825985 
1 1 1 4  30 38 o 34.028  4.7972 14.001   2.1691  36.962  7.3434 31.093  6.1747 5.869556       9.594386 
1 1 1 4  30 40 o 21.030  5.7936 6.0019   2.5540  23.375  8.4691 18.684  7.9079 4.691185       11.58713 
1 1 1 4  31 1  o 96.725  2.1475 93.814   2.9357  99.326  3.0213 94.125  3.0526 5.201546       4.294996 
1 1 1 4  31 3  o 210.979 2.2167 445.431  6.5640  214.944 3.3270 207.014 2.9301 7.930573       4.433377 
1 1 1 4  31 5  o 266.358 2.5120 712.813  9.4287  265.846 3.7228 266.871 3.3735 -1.025299      5.023901 
1 1 1 4  31 7  o 156.019 1.9249 243.983  4.2401  157.006 2.8061 155.033 2.6358 1.973053       3.849894 
1 1 1 4  31 9  o 82.144  2.3148 67.897   2.6802  79.882  3.4370 84.406  3.1015 -4.524658      4.629539 
1 1 1 4  31 11 o 103.662 2.1909 108.009  3.1606  103.127 3.4053 104.198 2.7575 -1.070641      4.381770 
1 1 1 4  31 13 o 134.563 1.8456 181.642  3.5106  134.816 2.6522 134.310 2.5671 0.5062256      3.691139 
1 1 1 4  31 15 o 73.557  2.3233 54.627   2.3735  71.874  3.6423 75.240  2.8853 -3.365395      4.646643 
1 1 1 4  31 17 o 101.989 2.2153 103.586  2.9410  103.872 3.7497 100.107 2.3599 3.764893       4.430535 
1 1 1 4  31 19 o 47.105  3.7354 22.534   2.4754  48.863  5.4883 45.348  5.0688 3.514729       7.470877 
1 1 1 4  31 21 o 47.025  4.3810 24.391   2.3944  41.560  7.9659 52.491  3.6492 -10.93174      8.762003 
1 1 1 4  31 23 o 41.477  3.9795 18.658   2.1156  35.794  6.8446 47.160  4.0617 -11.36611      7.959016 
1 1 1 4  31 25 o 25.664  5.6586 7.1371   2.2702  25.151  8.5206 26.177  7.4484 -1.025736      11.31719 
1 1 1 4  31 27 o 39.945  4.3125 17.795   2.0987  35.978  7.6797 43.913  3.9259 -7.934731      8.624984 
1 1 1 4  31 29 o 45.777  4.3597 22.186   2.5317  46.696  7.5204 44.857  4.4126 1.839275       8.719402 
1 1 1 4  31 31 o 37.555  3.7871 15.044   2.0067  36.997  5.1775 38.114  5.5284 -1.116844      7.574243 
1 1 1 4  31 33 o 45.167  3.2548 21.680   2.0746  47.244  4.4599 43.089  4.7418 4.154774       6.509659 
1 1 1 4  31 35 o 30.396  4.9882 11.253   2.1051  29.428  7.3829 31.363  6.7099 -1.934162      9.976476 
1 1 1 4  31 37 o 25.738  5.3473 8.8045   2.3556  19.303  7.9669 32.173  7.1346 -12.87031      10.69454 
1 1 1 4  32 0  o 122.935 2.7037 151.581  6.6404  122.935 2.7037 ?       ?      0.000000       0.000000 
1 1 1 4  32 2  o 131.180 1.9707 172.464  3.5991  131.816 3.0517 130.543 2.4945 1.272980       3.941451 
1 1 1 4  32 4  o 109.178 2.2136 119.727  3.4157  106.433 3.1795 111.922 3.0806 -5.488655      4.427161 
1 1 1 4  32 6  o 86.296  2.2257 74.864   2.7133  84.738  3.2401 87.855  3.0525 -3.116798      4.451468 
1 1 1 4  32 8  o 40.110  3.7645 16.136   2.1156  43.317  5.4538 36.903  5.1906 6.414169       7.529081 
1 1 1 4  32 10 o 104.780 1.9941 109.906  2.8872  105.827 3.1374 103.733 2.4621 2.094223       3.988145 
1 1 1 4  32 12 o 84.307  2.2491 71.816   2.6186  82.258  3.5706 86.356  2.7357 -4.097855      4.498168 
1 1 1 4  32 14 o 31.416  5.9465 10.604   2.6157  29.682  9.9000 33.149  6.5904 -3.466965      11.89300 
1 1 1 4  32 16 o 72.370  2.7141 52.934   2.7771  72.228  3.8896 72.511  3.7864 -0.2824097     5.428281 
1 1 1 4  32 18 o 107.462 2.4377 116.546  3.7022  107.983 3.3704 106.940 3.5227 1.043594       4.875359 
1 1 1 4  32 20 o 66.922  3.0082 44.647   2.6338  69.649  5.0421 64.196  3.2823 5.453346       6.016314 
1 1 1 4  32 22 o 54.232  3.2555 29.988   2.3650  54.688  5.3707 53.776  3.6807 0.9116287      6.510928 
1 1 1 4  32 24 o 29.498  5.7044 9.4073   2.2135  30.492  9.6965 28.505  6.0115 1.987114       11.40877 
1 1 1 4  32 26 o 24.881  5.8210 6.8809   2.3384  24.472  9.1352 25.291  7.2169 -0.8189983     11.64197 
1 1 1 4  32 28 o 21.720  5.8111 4.2498   2.4115  20.917  9.1932 22.522  7.1105 -1.605324      11.62212 
1 1 1 4  32 30 o 44.373  3.2663 21.125   1.9986  41.574  5.2218 47.172  3.9253 -5.597897      6.532658 
1 1 1 4  32 32 o 15.468  4.8466 0.2135   1.8816  12.909  5.7196 18.026  7.8258 -5.117155      9.693176 
1 1 1 4  32 34 o 19.404  5.3594 3.4757   2.1802  15.781  6.8272 23.027  8.2634 -7.246433      10.71885 
1 1 1 4  32 36 o 23.010  5.5794 6.9597   2.3625  27.506  8.0690 18.515  7.7078 8.991657       11.15878 
1 1 1 4  33 1  o 83.554  2.0571 70.175   2.4246  82.017  3.0361 85.091  2.7764 -3.073769      4.114187 
1 1 1 4  33 3  o 27.756  5.5249 8.0829   2.2555  29.788  7.9817 25.723  7.6415 4.065550       11.04988 
1 1 1 4  33 5  o 99.005  2.1670 98.343   3.0245  100.079 3.1900 97.932  2.9340 2.147621       4.334075 
1 1 1 4  33 7  o 62.774  2.7425 39.779   2.4263  65.775  3.6888 59.773  4.0592 6.001175       5.484946 
1 1 1 4  33 9  f 63.799  3.0077 40.962   2.7043  67.565  4.2526 60.033  4.2544 7.532135       6.015358 
1 1 1 4  33 11 o 119.483 2.1775 143.702  3.6578  119.170 3.2683 119.796 2.8782 -0.6258087     4.354979 
1 1 1 4  33 13 o 141.778 2.1440 201.887  4.2170  143.195 3.3442 140.361 2.6839 2.833908       4.288051 
1 1 1 4  33 15 o 117.302 2.0977 138.546  3.4796  117.730 2.9829 116.874 2.9501 0.8559799      4.195344 
1 1 1 4  33 17 o 75.555  2.2410 57.491   2.3837  77.155  3.3102 73.955  3.0218 3.199944       4.482066 
1 1 1 4  33 19 o 40.318  5.1579 17.986   2.3263  37.549  9.5082 43.088  4.0011 -5.538414      10.31574 
1 1 1 4  33 21 o 23.979  5.9324 5.5337   2.2135  27.144  9.6739 20.814  6.8695 6.330738       11.86480 
1 1 1 4  33 23 o 39.558  4.6002 17.005   2.2067  38.908  8.1403 40.207  4.2877 -1.299374      9.200466 
1 1 1 4  33 25 f 27.557  5.8499 8.8678   2.6253  23.348  9.3586 31.767  7.0214 -8.418936      11.69970 
1 1 1 4  33 27 o 21.819  5.7792 4.6851   2.1991  23.297  9.2954 20.340  6.8695 2.957039       11.55831 
1 1 1 4  33 29 o 48.461  3.6877 25.359   2.3650  47.373  6.1999 49.549  3.9948 -2.175533      7.375455 
1 1 1 4  33 31 o 57.573  2.7844 34.927   2.2662  57.672  3.8750 57.474  3.9994 0.1979713      5.568730 
1 1 1 4  33 33 o 13.149  4.3349 -1.8799  1.9050  14.287  6.6098 12.011  5.6105 2.275769       8.669896 
1 1 1 4  33 35 o 14.527  4.5680 0.3150   1.9070  14.108  6.4425 14.947  6.4777 -0.8389177     9.135984 
1 1 1 4  34 0  o 125.892 3.0471 159.243  7.6621  125.892 3.0471 ?       ?      0.000000       0.000000 
1 1 1 4  34 2  o 99.921  2.3056 100.065  3.2251  102.727 3.4807 97.114  3.0244 5.613464       4.611102 
1 1 1 4  34 4  o 60.234  2.9644 36.684   2.5185  63.651  4.1128 56.817  4.2704 6.834412       5.928895 
1 1 1 4  34 6  o 79.190  2.4577 63.139   2.7218  80.052  3.7488 78.328  3.1792 1.724487       4.915329 
1 1 1 4  34 8  o 78.422  2.1600 61.220   2.3429  82.007  3.3480 74.838  2.7302 7.168915       4.320059 
1 1 1 4  34 10 o 37.307  3.7029 14.189   1.9427  40.349  5.0639 34.264  5.4041 6.084583       7.405856 
1 1 1 4  34 12 f 94.137  2.3909 89.351   3.1061  94.692  3.7761 93.582  2.9339 1.110275       4.781868 
1 1 1 4  34 14 o 108.679 2.4544 119.528  3.7574  108.614 3.6448 108.746 3.2881 -0.1321182     4.908751 
1 1 1 4  34 16 o 33.790  4.6603 12.173   2.1409  33.551  7.4290 34.030  5.6289 -0.4794159     9.320642 
1 1 1 4  34 18 o 67.802  3.0421 47.681   2.7807  64.754  5.0288 70.850  3.4246 -6.096283      6.084136 
1 1 1 4  34 20 o 21.962  6.2449 3.4091   2.6651  26.751  10.234 17.173  7.1598 9.577717       12.48971 
1 1 1 4  34 22 o 60.260  3.6962 37.769   2.8400  61.256  6.3584 59.265  3.7708 1.990681       7.392452 
1 1 1 4  34 24 o 31.108  5.6125 10.879   2.2544  33.850  9.3267 28.366  6.2461 5.483942       11.22502 
1 1 1 4  34 26 f 17.483  5.3472 1.1258   2.3188  18.652  8.1924 16.315  6.8740 2.336901       10.69432 
1 1 1 4  34 28 o 25.065  6.2019 7.1245   2.2645  28.431  10.443 21.699  6.6932 6.731356       12.40385 
1 1 1 4  34 30 o 18.688  5.5177 2.5971   2.4578  20.268  8.1129 17.108  7.4805 3.160650       11.03532 
1 1 1 4  34 32 o 21.439  5.9351 5.8696   2.6309  22.122  8.2228 20.757  8.5609 1.364672       11.87027 
1 1 1 4  34 34 o 17.460  5.2429 2.8814   2.2303  17.120  7.0866 17.800  7.7286 -0.6797390     10.48577 
1 1 1 4  35 1  o 132.216 1.9980 175.814  3.7284  133.579 2.9158 130.852 2.7326 2.727234       3.996080 
1 1 1 4  35 3  o 71.542  2.6547 51.790   2.6802  75.047  3.6584 68.037  3.8477 7.010414       5.309342 
1 1 1 4  35 5  o 69.526  2.6740 49.082   2.6116  67.877  4.0449 71.176  3.4986 -3.299271      5.348072 
1 1 1 4  35 7  o 58.320  2.9816 34.433   2.4379  59.874  4.4790 56.766  3.9368 3.107964       5.963195 
1 1 1 4  35 9  o 29.172  5.4503 9.0384   2.1213  30.569  9.0064 27.775  6.1407 2.794001       10.90060 
1 1 1 4  35 11 o 102.805 2.6773 106.681  3.5735  103.853 4.5496 101.756 2.8237 2.097389       5.354645 
1 1 1 4  35 13 o 130.643 2.1089 172.588  3.8949  128.517 3.0306 132.769 2.9336 -4.252014      4.217883 
1 1 1 4  35 15 o 81.066  2.5786 65.801   2.7196  83.590  4.3539 78.543  2.7640 5.047676       5.157183 
1 1 1 4  35 17 f 18.237  5.1865 1.8439   2.0993  21.068  7.8795 15.406  6.7463 5.662152       10.37300 
1 1 1 4  35 19 o 20.757  5.5327 3.8675   2.1892  23.811  8.4847 17.702  7.1031 6.108824       11.06543 
1 1 1 4  35 21 o 45.720  4.0877 21.631   2.4802  50.111  6.6258 41.330  4.7892 8.780674       8.175401 
1 1 1 4  35 23 o 38.218  5.0052 16.007   2.2412  39.415  8.9500 37.022  4.4841 2.392445       10.01046 
1 1 1 4  35 25 o 47.994  4.6205 26.066   2.3654  45.544  8.5858 50.443  3.4176 -4.899281      9.240996 
1 1 1 4  35 27 o 21.389  5.8916 4.6475   2.4507  21.266  9.3821 21.512  7.1288 -0.2459965     11.78323 
1 1 1 4  35 29 o 21.976  5.8731 5.5592   2.4632  21.101  9.3647 22.851  7.0905 -1.749819      11.74614 
1 1 1 4  35 31 o 13.662  4.5683 -3.6550  2.3556  16.077  7.2663 11.247  5.5389 4.829995       9.136673 
1 1 1 4  36 0  o 75.779  3.8978 58.359   5.8742  75.779  3.8978 ?       ?      0.000000       0.000000 
1 1 1 4  36 2  o 71.230  3.0110 51.767   3.0326  70.214  4.2740 72.245  4.2422 -2.031120      6.021938 
1 1 1 4  36 4  o 24.348  5.6759 6.1944   2.2447  23.198  7.6210 25.497  8.4134 -2.299334      11.35188 
1 1 1 4  36 6  o 84.630  2.3748 72.835   2.6714  83.698  3.9669 85.562  2.6119 -1.863899      4.749572 
1 1 1 4  36 8  o 82.312  2.6627 68.958   2.9996  82.102  4.2773 82.521  3.1724 -0.4184799     5.325353 
1 1 1 4  36 10 o 55.847  3.3453 32.033   2.5618  56.123  5.3471 55.570  4.0215 0.5531158      6.690602 
1 1 1 4  36 12 o 17.369  5.1323 -0.4504  2.3556  13.862  6.5955 20.876  7.8653 -7.013725      10.26462 
1 1 1 4  36 14 o 73.587  2.7782 55.659   2.7377  73.693  4.5921 73.481  3.1282 0.2122650      5.556370 
1 1 1 4  36 16 o 35.411  4.8544 13.808   2.0840  34.932  8.6301 35.890  4.4477 -0.9580269     9.708769 
1 1 1 4  36 18 o 41.084  4.9076 19.794   2.3944  36.097  8.8910 46.071  4.1578 -9.973835      9.815123 
1 1 1 4  36 20 o 37.749  5.5765 16.326   2.4966  37.316  10.043 38.183  4.8495 -0.8663864     11.15294 
1 1 1 4  36 22 o 24.000  5.5635 6.3121   2.4628  19.796  8.7684 28.203  6.8503 -8.406162      11.12703 
1 1 1 4  36 24 o 19.806  5.6152 3.6428   2.3994  19.543  8.1788 20.068  7.6960 -0.5246143     11.23039 
1 1 1 4  36 26 o 28.549  6.0099 10.919   2.7807  24.068  9.3824 33.030  7.5131 -8.962219      12.01984 
1 1 1 4  36 28 o 46.934  4.4145 26.338   2.2843  43.091  8.1500 50.777  3.3952 -7.685452      8.828913 
1 1 1 4  36 30 o 25.151  5.5263 8.5757   2.2123  30.825  8.3049 19.477  7.2929 11.34859       11.05253 
1 1 1 4  37 1  o 27.745  5.8806 8.6837   2.4902  28.306  8.2781 27.184  8.3546 1.121017       11.76121 
1 1 1 4  37 3  o 49.127  3.6299 25.089   2.5185  47.384  5.1206 50.870  5.1462 -3.485981      7.259758 
1 1 1 4  37 5  o 91.342  2.3245 84.950   2.9955  91.724  3.4110 90.960  3.1588 0.7645493      4.648975 
1 1 1 4  37 7  o 61.439  3.2275 38.586   2.7383  65.517  4.9703 57.360  4.1186 8.156551       6.455001 
1 1 1 4  37 9  o 21.769  5.7578 4.4359   2.4112  24.537  8.6053 19.001  7.6524 5.535944       11.51567 
1 1 1 4  37 11 o 57.248  4.0612 34.747   3.2508  59.345  6.1328 55.151  5.3256 4.193829       8.122387 
1 1 1 4  37 13 f 78.642  2.8473 64.156   2.9779  77.938  4.7516 79.345  3.1384 -1.406883      5.694501 
1 1 1 4  37 15 o 43.821  4.1944 20.049   2.4121  46.840  6.9521 40.801  4.6948 6.039562       8.388825 
1 1 1 4  37 17 o 28.687  6.2342 9.9723   2.6005  30.137  10.082 27.238  7.3364 2.899002       12.46849 
1 1 1 4  37 19 o 52.234  3.2834 28.901   2.4196  53.654  4.7602 50.814  4.5236 2.839741       6.566772 
1 1 1 4  37 21 o 48.916  4.0537 26.227   2.7731  51.908  6.0274 45.925  5.4223 5.982780       8.107441 
1 1 1 4  37 23 o 33.189  5.5142 13.944   2.4917  29.760  9.5127 36.618  5.5799 -6.857584      11.02842 
1 1 1 4  37 25 o 17.770  5.6689 1.1134   2.8400  18.884  8.7328 16.655  7.2306 2.228998       11.33773 
1 1 1 4  37 27 o 26.277  6.4379 10.676   2.9940  24.148  10.100 28.407  7.9857 -4.258978      12.87587 
1 1 1 4  38 0  o 76.985  3.9197 60.658   6.0019  76.985  3.9197 ?       ?      0.000000       0.000000 
1 1 1 4  38 2  o 66.477  3.1033 46.057   2.8964  67.775  4.0510 65.179  4.7022 2.595848       6.206532 
1 1 1 4  38 4  o 46.912  3.8586 23.433   2.5540  48.749  5.2391 45.074  5.6662 3.674911       7.717160 
1 1 1 4  38 6  o 39.958  4.9237 17.555   2.6291  42.059  7.8818 37.856  5.9034 4.203609       9.847445 
1 1 1 4  38 8  o 20.913  5.6497 4.2194   2.3301  20.498  7.9914 21.329  7.9885 -0.8308506     11.29945 
1 1 1 4  38 10 o 62.200  3.5445 41.798   2.9521  57.103  5.9262 67.296  3.8901 -10.19297      7.088934 
1 1 1 4  38 12 o 50.404  3.9557 27.386   2.8036  46.278  5.7949 54.530  5.3862 -8.252735      7.911488 
1 1 1 4  38 14 o 32.601  5.2294 12.958   2.3658  27.646  8.9324 37.557  5.4403 -9.910631      10.45874 
1 1 1 4  38 16 o 23.552  6.4292 6.0827   2.9085  24.190  10.018 22.914  8.0609 1.276304       12.85849 
1 1 1 4  38 18 o 20.680  5.9779 3.7721   2.7505  20.414  8.9999 20.946  7.8705 -0.5323238     11.95588 
1 1 1 4  38 20 o 21.994  5.8536 5.7138   2.4492  22.474  8.7242 21.515  7.8069 0.9591045      11.70724 
1 1 1 4  38 22 o 22.650  6.1047 6.7329   2.7595  21.418  8.7770 23.882  8.4872 -2.463442      12.20936 
1 1 1 4  38 24 o 30.685  6.0771 13.804   2.7875  26.893  10.126 34.477  6.7218 -7.583761      12.15426 
1 1 1 4  38 26 o 23.233  6.0184 7.8010   2.8507  20.252  9.3356 26.214  7.5982 -5.961802      12.03682 
1 1 1 4  39 1  o 44.285  4.0718 20.994   2.5285  40.894  5.6209 47.676  5.8927 -6.782265      8.143607 
1 1 1 4  39 3  o 47.175  3.9398 24.045   2.6163  45.462  5.8988 48.888  5.2242 -3.426437      7.879594 
1 1 1 4  39 5  o 50.061  4.3033 27.095   2.6102  50.134  7.6416 49.988  3.9597 0.1456947      8.606586 
1 1 1 4  39 7  o 16.727  5.2646 -0.4661  2.5524  15.585  7.1887 17.869  7.6933 -2.284931      10.52920 
1 1 1 4  39 9  o 18.184  5.5877 1.2232   2.5386  19.985  8.6587 16.383  7.0653 3.602299       11.17549 
1 1 1 4  39 11 o 26.571  6.4191 8.8759   2.8964  27.953  9.3338 25.189  8.8147 2.764576       12.83820 
1 1 1 4  39 13 o 35.696  6.0179 16.624   2.9590  30.186  10.583 41.206  5.7333 -11.01941      12.03581 
1 1 1 4  39 15 o 24.364  5.8210 6.9969   2.6859  20.283  9.0244 28.446  7.3549 -8.162699      11.64197 
1 1 1 4  39 17 o 23.333  6.3394 6.5939   2.8400  23.600  9.8654 23.066  7.9640 0.5345039      12.67876 
1 1 1 4  39 19 o 38.825  5.8110 19.092   2.8568  41.954  9.6337 35.697  6.5011 6.257607       11.62203 
1 1 1 4  39 21 o 35.688  5.4577 17.124   2.5297  31.011  9.6708 40.364  5.0619 -9.353237      10.91544 
1 1 1 4  39 23 o 23.276  6.1508 7.7911   2.4882  23.318  10.175 23.234  6.9140 0.8401299E-01  12.30159 
1 1 1 4  40 0  o 12.837  8.0632 1.6601   4.2141  12.837  8.0632 ?       ?      0.000000       0.000000 
1 1 1 4  40 2  o 45.621  4.2101 23.033   2.7103  43.275  6.0493 47.967  5.8570 -4.691402      8.420169 
1 1 1 4  40 4  o 65.985  3.4227 46.786   2.8733  64.535  5.9363 67.434  3.4087 -2.898232      6.845371 
1 1 1 4  40 6  o 43.172  5.1366 22.176   2.9996  38.110  8.2741 48.234  6.0894 -10.12369      10.27328 
1 1 1 4  40 8  o 33.362  6.0468 14.412   2.8459  31.359  9.6490 35.365  7.2905 -4.005421      12.09361 
1 1 1 4  40 10 o 35.627  5.9017 16.630   3.0316  29.445  9.8079 41.809  6.5670 -12.36323      11.80341 
1 1 1 4  40 12 o 36.896  6.0428 17.132   2.8568  37.806  10.225 35.986  6.4432 1.820648       12.08564 
1 1 1 4  40 14 o 39.795  5.4716 19.685   2.8451  39.356  9.2344 40.233  5.8720 -0.8764229     10.94322 
1 1 1 4  40 16 o 21.283  6.0914 5.6188   2.8459  21.070  8.9710 21.495  8.2428 -0.4256058     12.18284 
1 1 1 4  40 18 o 23.094  5.2912 6.2560   2.5608  17.300  8.3051 28.887  6.5583 -11.58700      10.58237 
1 1 1 4  40 20 o 20.655  6.2860 5.5395   2.9904  23.154  10.027 18.156  7.5835 4.998316       12.57202 
1 1 1 4  41 1  o 25.841  6.4945 8.8759   3.0885  28.676  9.1200 23.006  9.2488 5.670023       12.98900 
1 1 1 4  41 3  o 66.655  3.4193 48.180   3.2165  68.716  4.9247 64.594  4.7447 4.121353       6.838533 
1 1 1 4  41 5  o 56.463  6.0970 42.284   3.8488  66.872  4.5831 46.053  11.300 20.81866       12.19391 
1 1 1 4  41 7  o 43.321  4.9581 22.774   2.9020  38.977  7.9745 47.665  5.8941 -8.687473      9.916280 
1 1 1 4  41 9  o 23.945  6.0677 7.7680   2.7731  20.882  8.7910 27.007  8.3657 -6.125584      12.13536 
1 1 1 4  41 11 o 21.822  5.9656 5.5517   2.8910  19.034  8.7756 24.609  8.0833 -5.574453      11.93113 
1 1 1 4  41 13 o 26.705  6.5511 10.888   2.9710  26.321  10.194 27.089  8.2311 -0.7686443     13.10212 
1 1 1 4  41 15 o 38.214  5.8134 20.971   2.7099  31.669  10.693 44.759  4.5649 -13.09039      11.62686 
1 1 1 4  42 0  o 9.8337  7.0746 -6.1296  6.0019  9.8337  7.0746 ?       ?      0.000000       0.000000 
1 1 1 4  42 2  o 18.871  5.7927 2.5268   2.9792  20.469  8.3929 17.272  7.9864 3.197256       11.58545 
1 1 1 4  42 4  o 46.655  5.5446 28.408   3.5204  48.045  6.7778 45.265  8.7769 2.780407       11.08924 
1 1 1 4  42 6  o 46.687  4.6672 26.603   2.9522  53.809  5.9331 39.565  7.2062 14.24410       9.334403 
1 1 1 4  42 8  o 18.408  5.7122 2.5256   2.8378  21.163  8.8935 15.653  7.1710 5.510445       11.42443 
1 1 1 4  42 10 o 25.491  6.2188 9.9607   2.7188  24.055  9.8971 26.927  7.5327 -2.871365      12.43761 
1 1 1 5  1  0  o 400.127 3.5751 1601.50  28.605  400.127 3.5751 ?       ?      0.000000       0.000000 
1 1 1 5  1  2  o 586.957 4.5944 3431.52  37.187  596.656 7.2448 577.258 5.6522 19.39813       9.188829 
1 1 1 5  1  4  o 436.082 2.7230 1901.89  16.792  438.732 3.8421 433.432 3.8596 5.299957       5.445956 
1 1 1 5  1  6  o 223.247 2.1391 499.193  6.7240  226.651 2.8453 219.843 3.1948 6.808350       4.278139 
1 1 1 5  1  8  o 143.107 1.4914 205.234  2.9792  144.758 1.8967 141.456 2.3020 3.302673       2.982734 
1 1 1 5  1  10 o 811.423 5.1340 6581.35  58.457  804.962 6.7423 817.883 7.7443 -12.92059      10.26807 
1 1 1 5  1  12 o 198.987 1.5888 395.960  4.4659  199.339 2.3062 198.635 2.1858 0.7047577      3.177515 
1 1 1 5  1  14 o 1058.95 6.1072 11230.00 91.430  1073.51 8.6898 1044.39 8.5836 29.11938       12.21432 
1 1 1 5  1  16 o 629.293 3.9926 3943.25  34.158  620.371 4.7036 638.215 6.4529 -17.84424      7.985230 
1 1 1 5  1  18 o 538.725 3.3592 2894.66  24.812  533.400 4.0460 544.050 5.3634 -10.64990      6.718367 
1 1 1 5  1  20 o 275.613 1.8798 759.766  7.1843  275.731 2.3388 275.494 2.9434 0.2372131      3.759518 
1 1 1 5  1  22 o 360.375 2.4934 1297.31  12.383  358.605 3.0447 362.144 3.9494 -3.538849      4.986770 
1 1 1 5  1  24 o 190.068 1.5798 360.729  4.1358  188.913 1.9265 191.224 2.5043 -2.310074      3.159583 
1 1 1 5  1  26 o 122.849 1.2532 150.785  2.1540  122.123 1.6208 123.575 1.9118 -1.452644      2.506359 
1 1 1 5  1  28 o 198.755 1.5432 395.841  4.2699  200.511 1.9425 197.000 2.3984 3.511459       3.086381 
1 1 1 5  1  30 o 156.611 2.1986 251.002  4.1525  162.207 1.9682 151.014 3.9321 11.19275       4.397202 
1 1 1 5  1  32 o 148.868 1.6009 223.521  3.2760  153.466 1.9139 144.270 2.5669 9.196259       3.201879 
1 1 1 5  1  34 o 45.016  2.1344 21.122   1.2259  48.854  2.0911 41.177  3.7215 7.677170       4.268794 
1 1 1 5  1  36 o 81.299  1.5103 66.220   1.7027  81.699  1.8757 80.900  2.3678 0.7992477      3.020669 
1 1 1 5  1  38 o 115.870 1.5100 134.701  2.4379  117.285 1.9054 114.455 2.3430 2.830170       3.020010 
1 1 1 5  1  40 o 118.557 1.7369 141.791  2.8378  121.892 2.0953 115.221 2.7708 6.670670       3.473837 
1 1 1 5  1  42 o 134.131 1.6764 179.531  2.9984  132.649 1.8773 135.614 2.7779 -2.964645      3.352715 
1 1 1 5  1  44 o 23.308  5.3399 5.1567   1.8284  20.073  6.2964 26.543  8.6264 -6.469780      10.67987 
1 1 1 5  1  46 o 107.617 1.8176 117.836  2.4802  110.163 1.7968 105.070 3.1600 5.092651       3.635103 
1 1 1 5  1  48 o 116.510 2.0082 137.416  2.9767  117.241 2.0151 115.779 3.4744 1.461853       4.016412 
1 1 1 5  1  50 o 25.042  5.4892 6.9873   2.0242  26.298  5.7429 23.786  9.3565 2.512276       10.97835 
1 1 1 5  1  52 o 31.276  5.4018 11.369   1.9962  32.477  4.3253 30.074  9.9000 2.402407       10.80362 
1 1 1 5  1  54 o 19.528  5.4222 3.7873   2.1377  19.646  6.8562 19.410  8.4021 0.2352009      10.84448 
1 1 1 5  1  56 o 27.604  5.1793 9.8231   1.9646  23.298  6.5689 31.910  8.0094 -8.611687      10.35865 
1 1 1 5  2  1  o 147.236 1.4580 212.420  2.7188  152.699 2.5089 141.773 1.4862 10.92514       2.916048 
1 1 1 5  2  3  o 1162.70 13.410 13557.27 220.446 1171.48 19.136 1153.92 18.791 17.55396       26.81998 
1 1 1 5  2  7  o 340.213 2.9732 1146.48  13.847  329.289 3.6066 351.137 4.7278 -21.84756      5.946417 
1 1 1 5  2  9  o 177.410 1.7649 314.250  4.3465  176.116 2.2115 178.704 2.7512 -2.588242      3.529871 
1 1 1 5  2  11 o 295.360 2.0410 872.573  8.5230  294.506 2.9269 296.215 2.8453 -1.708832      4.081964 
1 1 1 5  2  13 o 343.504 2.3008 1180.42  11.171  342.304 3.3203 344.704 3.1860 -2.400940      4.601601 
1 1 1 5  2  15 o 436.667 2.8037 1906.15  17.264  433.836 3.7972 439.498 4.1260 -5.662903      5.607312 
1 1 1 5  2  17 o 689.507 4.2895 4744.23  40.455  683.758 5.1266 695.255 6.8786 -11.49689      8.578928 
1 1 1 5  2  19 o 545.234 3.4352 2963.47  25.767  538.458 4.1859 552.011 5.4480 -13.55365      6.870393 
1 1 1 5  2  21 o 631.407 3.9320 3983.00  34.362  627.684 4.8726 635.131 6.1726 -7.447571      7.864040 
1 1 1 5  2  23 o 317.528 2.1161 1008.72  9.2533  317.858 2.5712 317.198 3.3616 0.6608887      4.232234 
1 1 1 5  2  25 f 193.086 1.5598 372.616  4.1174  192.628 1.8562 193.544 2.5072 -0.9163513     3.119599 
1 1 1 5  2  27 f 159.336 1.4715 254.038  3.2359  159.601 1.8003 159.071 2.3281 0.5291748      2.942964 
1 1 1 5  2  29 o 203.661 1.7966 412.988  5.1214  197.964 2.3545 209.358 2.7143 -11.39445      3.593242 
1 1 1 5  2  31 o 88.988  1.5381 79.813   1.9070  92.758  1.9274 85.219  2.3976 7.539055       3.076259 
1 1 1 5  2  33 o 103.265 1.3173 106.886  1.9070  104.659 1.7082 101.871 2.0057 2.787315       2.634542 
1 1 1 5  2  35 o 184.368 1.7031 340.595  4.3465  185.320 2.1017 183.416 2.6805 1.903839       3.406219 
1 1 1 5  2  37 o 81.447  1.5778 66.450   1.7308  81.618  1.7993 81.276  2.5925 0.3423309      3.155698 
1 1 1 5  2  39 o 119.973 1.6434 144.527  2.7742  123.464 2.1721 116.482 2.4667 6.982246       3.286711 
1 1 1 5  2  41 o 49.515  2.1884 24.561   1.5297  51.571  3.0953 47.459  3.0944 4.111877       4.376762 
1 1 1 5  2  43 o 19.426  4.6064 3.5597   1.5085  20.520  6.0958 18.332  6.9079 2.188345       9.212864 
1 1 1 5  2  45 o 37.467  3.5686 14.302   1.8701  37.526  4.5940 37.407  5.4621 0.1189766      7.137178 
1 1 1 5  2  47 o 13.013  4.1854 -2.1420  1.6770  10.852  5.1683 15.175  6.5847 -4.322707      8.370780 
1 1 1 5  2  49 o 49.233  3.3822 24.695   2.2779  45.113  4.2460 53.352  5.2658 -8.238468      6.764429 
1 1 1 5  2  51 o 37.103  4.2423 14.655   1.9136  35.903  4.0904 38.302  7.4334 -2.399445      8.484532 
1 1 1 5  2  53 o 24.306  5.3548 6.9816   1.9454  21.119  6.7240 27.492  8.3357 -6.372702      10.70967 
1 1 1 5  2  55 o 18.574  5.3024 3.1102   2.2902  20.210  7.2221 16.938  7.7654 3.271465       10.60472 
1 1 1 5  3  2  f 758.596 7.7183 5782.05  80.107  748.684 12.434 768.507 9.1475 -19.82324      15.43664 
1 1 1 5  3  4  o 849.890 7.5532 7223.13  90.679  863.708 10.889 836.071 10.470 27.63696       15.10640 
1 1 1 5  3  6  o 529.102 3.2085 2799.99  24.008  528.535 4.5544 529.669 4.5205 -1.134827      6.417002 
1 1 1 5  3  8  o 500.184 3.2361 2502.47  22.890  499.137 4.6052 501.232 4.5477 -2.094513      6.472206 
1 1 1 5  3  10 o 310.564 2.1589 964.664  9.4817  311.078 3.0378 310.050 3.0684 1.028290       4.317805 
1 1 1 5  3  12 o 452.615 2.8877 2049.03  18.480  455.758 4.1189 449.471 4.0486 6.286377       5.775496 
1 1 1 5  3  14 o 149.159 1.3168 222.380  2.7742  150.507 1.9091 147.811 1.8143 2.696091       2.633656 
1 1 1 5  3  16 o 206.440 2.9666 426.665  8.1676  206.943 3.3014 205.937 4.9298 1.005936       5.933115 
1 1 1 5  3  18 o 367.036 2.5218 1351.65  12.988  375.911 3.2782 358.161 3.8329 17.74985       5.043558 
1 1 1 5  3  20 o 501.993 3.2537 2519.82  22.648  501.258 4.0507 502.727 5.0930 -1.468323      6.507464 
1 1 1 5  3  22 o 195.583 2.6054 385.492  6.5637  198.566 2.6689 192.601 4.4755 5.965042       5.210862 
1 1 1 5  3  24 f 82.736  1.2585 68.392   1.4658  88.832  1.7251 76.639  1.8329 12.19274       2.517001 
1 1 1 5  3  26 o 312.571 2.2467 973.532  9.6557  308.106 2.7355 317.036 3.5647 -8.930359      4.493374 
1 1 1 5  3  28 o 146.732 1.4093 215.727  2.8768  147.976 1.7691 145.489 2.1943 2.486816       2.818673 
1 1 1 5  3  30 o 109.991 1.6945 120.556  2.5618  108.431 2.0610 111.551 2.6902 -3.120056      3.388964 
1 1 1 5  3  32 o 198.716 1.8007 397.522  4.8813  202.702 2.1105 194.730 2.9182 7.972488       3.601424 
1 1 1 5  3  34 o 137.409 1.5787 188.762  2.9573  137.027 1.8639 137.791 2.5486 -0.7631226     3.157459 
1 1 1 5  3  36 o 15.126  4.1069 1.4178   1.2246  13.018  5.2973 17.235  6.2773 -4.216703      8.213729 
1 1 1 5  3  38 o 181.026 1.7741 326.671  4.3817  178.488 2.1106 183.564 2.8523 -5.075409      3.548253 
1 1 1 5  3  40 o 68.372  1.9410 47.042   1.8164  69.327  2.3025 67.416  3.1255 1.911407       3.882018 
1 1 1 5  3  42 f 115.726 1.5443 134.230  2.5120  115.852 2.0392 115.600 2.3198 0.2520752      3.088680 
1 1 1 5  3  44 o 37.114  3.5749 14.069   1.8318  38.286  4.3361 35.942  5.6848 2.344173       7.149734 
1 1 1 5  3  46 o 92.570  1.7591 86.283   2.2968  94.240  2.3714 90.901  2.5990 3.339439       3.518219 
1 1 1 5  3  48 o 74.257  1.8623 55.818   1.9469  77.407  2.4746 71.108  2.7836 6.299011       3.724529 
1 1 1 5  3  50 o 53.830  2.6936 29.778   2.0113  52.803  3.3858 54.856  4.1903 -2.052361      5.387219 
1 1 1 5  3  52 o 20.845  5.0248 4.7379   1.8571  23.170  6.7536 18.520  7.4420 4.649860       10.04959 
1 1 1 5  3  54 o 30.172  5.3304 11.403   2.1537  32.229  5.1511 28.116  9.3338 4.112206       10.66084 
1 1 1 5  3  56 f 16.980  4.7299 1.5324   2.0523  20.291  6.7361 13.668  6.6417 6.622578       9.459745 
1 1 1 5  4  3  o 1059.92 8.8347 11237.27 132.193 1074.33 12.843 1045.50 12.135 28.82434       17.66949 
1 1 1 5  4  5  o 649.528 6.5799 4209.98  49.168  647.169 5.5546 651.887 11.930 -4.717957      13.15970 
1 1 1 5  4  7  f 143.514 1.5350 207.172  2.9996  146.207 1.7905 140.821 2.4938 5.385376       3.070003 
1 1 1 5  4  9  o 578.702 3.6321 3349.94  29.710  580.496 5.2247 576.909 5.0469 3.587158       7.264160 
1 1 1 5  4  11 f 160.837 1.5133 257.396  3.3298  163.555 2.4204 158.121 1.8171 5.433899       3.026631 
1 1 1 5  4  13 o 233.498 1.7026 544.712  5.6007  235.889 2.5173 231.107 2.2931 4.781647       3.405201 
1 1 1 5  4  15 o 550.515 3.3503 3031.01  26.078  542.509 4.7431 558.521 4.7329 -16.01294      6.700526 
1 1 1 5  4  17 o 284.326 2.0007 808.140  8.0406  280.913 2.7957 287.739 2.8626 -6.825623      4.001307 
1 1 1 5  4  19 f 314.441 2.2146 988.427  9.6022  313.928 2.7051 314.954 3.5072 -1.025909      4.429248 
1 1 1 5  4  21 o 143.965 1.4004 205.687  2.7807  139.775 1.7359 148.155 2.1980 -8.379471      2.800754 
1 1 1 5  4  23 o 273.810 2.0050 751.283  7.5826  275.880 2.4533 271.739 3.1721 4.141632       4.010089 
1 1 1 5  4  25 o 165.709 1.4628 273.311  3.2636  163.517 1.6791 167.900 2.3958 -4.383240      2.925611 
1 1 1 5  4  27 f 260.700 1.9440 676.963  6.9634  256.686 2.3631 264.715 3.0874 -8.028656      3.887993 
1 1 1 5  4  29 o 166.052 1.8791 273.660  4.2281  162.164 2.2049 169.940 3.0434 -7.775635      3.758169 
1 1 1 5  4  31 o 120.614 1.6232 146.255  2.6291  122.213 1.8286 119.015 2.6825 3.197884       3.246425 
1 1 1 5  4  33 o 171.279 1.6204 294.363  3.8572  173.600 2.0229 168.958 2.5320 4.641357       3.240844 
1 1 1 5  4  35 o 133.016 1.4727 177.436  2.7084  134.249 1.8073 131.783 2.3257 2.466995       2.945357 
1 1 1 5  4  37 o 49.465  2.2003 24.540   1.5218  49.731  2.8246 49.198  3.3743 0.5331459      4.400510 
1 1 1 5  4  39 o 115.205 1.6753 133.410  2.7043  118.235 2.1601 112.175 2.5614 6.060036       3.350657 
1 1 1 5  4  41 o 38.110  2.9210 15.107   1.4998  44.398  3.3077 31.823  4.8155 12.57521       5.842098 
1 1 1 5  4  43 o 43.300  2.7957 19.008   1.6770  44.656  3.4316 41.944  4.4146 2.711552       5.591480 
1 1 1 5  4  45 o 53.618  2.3717 28.988   1.7673  53.665  2.9745 53.571  3.6949 0.9458160E-01  4.743382 
1 1 1 5  4  47 o 31.846  4.3273 11.044   1.7966  34.623  4.4260 29.070  7.4373 5.553596       8.654642 
1 1 1 5  4  49 o 17.151  4.8235 2.0966   1.7089  16.236  6.3066 18.066  7.3000 -1.829962      9.646905 
1 1 1 5  4  51 o 53.984  2.5053 29.772   1.7921  52.828  2.7799 55.139  4.1688 -2.310822      5.010630 
1 1 1 5  4  53 o 24.751  5.1983 7.5731   2.0761  28.577  6.6066 20.926  8.0274 7.650583       10.39651 
1 1 1 5  4  55 o 27.060  5.1051 9.5330   1.9500  27.615  6.1688 26.504  8.1360 1.110550       10.21019 
1 1 1 5  5  0  o 1102.27 12.985 12163.13 286.178 1102.27 12.985 ?       ?      0.000000       0.000000 
1 1 1 5  5  2  o 1245.81 21.019 15575.81 523.701 ?       ?      1245.81 21.019 ?              ?        
1 1 1 5  5  4  o 573.350 3.4569 3287.58  28.027  568.356 4.8757 578.343 4.9019 -9.986633      6.913778 
1 1 1 5  5  6  o 313.058 2.0986 980.202  9.2901  314.618 2.9427 311.497 2.9927 3.120758       4.197121 
1 1 1 5  5  8  o 428.324 2.8593 1837.50  16.933  430.669 3.5137 425.979 4.5117 4.690887       5.718563 
1 1 1 5  5  10 o 444.418 2.9217 1979.61  18.035  448.457 3.6449 440.380 4.5672 8.076843       5.843304 
1 1 1 5  5  12 o 132.663 1.1775 175.589  2.1802  131.004 1.5109 134.323 1.8063 -3.319077      2.354934 
1 1 1 5  5  14 o 981.801 5.7114 9648.29  79.300  977.537 8.0667 986.065 8.0876 -8.528259      11.42286 
1 1 1 5  5  16 o 877.618 5.0622 7706.69  62.829  879.426 7.1443 875.810 7.1738 3.615906       10.12444 
1 1 1 5  5  18 o 265.502 1.8541 705.035  6.9574  264.864 2.6759 266.139 2.5671 -1.275391      3.708114 
1 1 1 5  5  20 o 344.458 2.3022 1189.72  11.054  349.050 2.9085 339.865 3.5695 9.185486       4.604463 
1 1 1 5  5  22 o 365.965 2.5505 1334.13  12.664  361.438 2.9855 370.492 4.1362 -9.053802      5.101073 
1 1 1 5  5  24 o 339.531 2.3518 1143.21  10.845  330.677 2.7805 348.385 3.7938 -17.70773      4.703628 
1 1 1 5  5  26 o 10.024  3.2856 -2.4398  1.1291  10.258  4.5126 9.7888  4.7769 0.4693975      6.571269 
1 1 1 5  5  28 o 83.290  1.5748 69.469   1.8495  84.402  2.1182 82.177  2.3310 2.224930       3.149629 
1 1 1 5  5  30 o 108.035 1.5015 115.524  2.1655  105.148 1.7003 110.923 2.4752 -5.774612      3.002932 
1 1 1 5  5  32 o 199.262 1.8874 397.026  5.0605  198.855 2.1513 199.669 3.1019 -0.8143768     3.774886 
1 1 1 5  5  34 f 171.983 1.6962 297.045  4.0375  174.578 2.0847 169.389 2.6763 5.188721       3.392456 
1 1 1 5  5  36 o 82.486  1.6732 68.458   1.8623  83.701  1.9071 81.272  2.7497 2.428696       3.346362 
1 1 1 5  5  38 o 145.017 1.5496 210.788  3.1345  146.064 1.9671 143.970 2.3949 2.094803       3.099210 
1 1 1 5  5  40 o 22.046  4.2390 5.0510   1.4672  26.439  5.0118 17.653  6.8380 8.785995       8.477969 
1 1 1 5  5  42 o 27.049  4.3929 8.0211   1.5565  30.836  3.9343 23.263  7.8556 7.572298       8.785718 
1 1 1 5  5  44 o 19.279  5.0458 2.9886   1.7251  16.872  6.2596 21.685  7.9157 -4.812897      10.09163 
1 1 1 5  5  46 o 17.636  5.1706 1.0000   1.8585  13.113  5.7131 22.160  8.6199 -9.046900      10.34129 
1 1 1 5  5  48 o 45.307  3.4859 21.217   2.0507  45.457  3.6521 45.156  5.9388 0.3007584      6.971837 
1 1 1 5  5  50 o 42.827  3.1711 18.694   1.7272  41.006  3.2699 44.649  5.4342 -3.642982      6.342161 
1 1 1 5  5  52 o 54.258  2.8258 31.104   2.1271  56.920  3.4775 51.596  4.4551 5.323875       5.651583 
1 1 1 5  5  54 o 13.746  4.5015 -1.3074  1.9256  11.831  5.5167 15.661  7.1149 -3.830471      9.003081 
1 1 1 5  6  1  o 183.174 1.4788 335.304  3.8268  185.579 2.1332 180.769 2.0487 4.809891       2.957604 
1 1 1 5  6  3  o 967.699 8.0826 9372.94  110.572 980.173 11.524 955.225 11.337 24.94806       16.16519 
1 1 1 5  6  5  o 309.843 2.7281 956.803  11.735  314.700 4.2405 304.987 3.4334 9.713379       5.456181 
1 1 1 5  6  7  o 889.431 6.1150 7919.98  76.883  890.303 8.7926 888.560 8.5008 1.742737       12.23005 
1 1 1 5  6  9  f 748.554 4.5465 5624.03  47.107  757.770 5.5949 739.337 7.1680 18.43268       9.093066 
1 1 1 5  6  11 o 236.450 1.8775 560.170  6.0454  237.779 2.2019 235.120 3.0415 2.659073       3.754916 
1 1 1 5  6  13 o 320.552 2.2620 1025.73  10.101  317.520 2.8756 323.584 3.4926 -6.064056      4.524089 
1 1 1 5  6  15 o 679.482 4.1654 4617.36  39.162  678.631 5.1466 680.333 6.5509 -1.701599      8.330715 
1 1 1 5  6  17 o 988.902 5.8184 9787.56  79.675  989.289 7.2029 988.516 9.1398 0.7727661      11.63689 
1 1 1 5  6  19 o 205.183 1.5656 421.116  4.4197  205.340 1.8968 205.026 2.4914 0.3148956      3.131286 
1 1 1 5  6  21 o 327.518 2.3396 1070.52  10.073  325.876 2.5276 329.159 3.9378 -3.283508      4.679189 
1 1 1 5  6  23 o 241.305 2.0642 582.854  6.3131  241.639 2.0611 240.971 3.5771 0.6681671      4.128401 
1 1 1 5  6  25 o 393.781 2.9761 1531.80  14.611  385.096 2.9181 402.465 5.1878 -17.36905      5.952218 
1 1 1 5  6  27 o 245.663 2.1856 594.952  6.5267  239.984 2.0487 251.342 3.8614 -11.35725      4.371194 
1 1 1 5  6  29 o 101.243 1.6175 103.860  2.2303  105.631 1.8738 96.855  2.6369 8.776314       3.234930 
1 1 1 5  6  31 o 144.736 1.7328 208.974  3.1293  143.988 1.6851 145.484 3.0283 -1.495636      3.465561 
1 1 1 5  6  33 o 187.744 2.0520 352.277  4.7872  187.285 1.9774 188.203 3.5962 -0.9174805     4.103984 
1 1 1 5  6  35 o 41.927  2.5305 17.544   1.4944  39.268  3.5772 44.587  3.5801 -5.318943      5.061008 
1 1 1 5  6  37 o 94.339  1.8158 89.667   2.1727  95.454  1.8061 93.224  3.1506 2.230194       3.631562 
1 1 1 5  6  39 o 140.277 1.6334 195.768  2.9590  138.438 1.7065 142.115 2.7856 -3.677338      3.266746 
1 1 1 5  6  41 o 82.845  1.8720 68.040   2.0789  80.388  2.1445 85.302  3.0689 -4.913887      3.743984 
1 1 1 5  6  43 o 49.886  2.4118 25.177   1.5987  50.705  2.6445 49.067  4.0340 1.637634       4.823522 
1 1 1 5  6  45 o 45.249  3.2557 20.937   1.8973  45.980  3.3328 44.517  5.5937 1.463123       6.511327 
1 1 1 5  6  47 o 59.793  2.9898 35.822   2.1424  58.341  2.7361 61.245  5.3169 -2.904465      5.979641 
1 1 1 5  6  49 o 34.841  4.7489 13.204   1.8535  35.220  3.8071 34.462  8.7014 0.7584152      9.497768 
1 1 1 5  6  51 o 17.008  4.8767 1.0593   1.9050  12.315  5.6973 21.701  7.9163 -9.386001      9.753308 
1 1 1 5  6  53 o 14.050  4.4372 -1.0125  1.7057  10.119  4.8513 17.981  7.4311 -7.862409      8.874470 
1 1 1 5  6  55 o 13.739  4.5052 -1.2750  2.0511  12.675  5.9225 14.803  6.7905 -2.127481      9.010389 
1 1 1 5  7  0  o 221.030 2.2538 488.711  9.9607  221.030 2.2538 ?       ?      0.000000       0.000000 
1 1 1 5  7  2  o 578.000 3.5502 3341.87  29.020  578.359 5.0121 577.640 5.0294 0.7184448      7.100461 
1 1 1 5  7  4  o 578.604 3.6440 3348.79  29.815  575.186 5.1286 582.023 5.1780 -6.837219      7.287974 
1 1 1 5  7  6  o 465.853 2.9950 2168.64  19.689  471.993 4.3695 459.712 4.0973 12.28140       5.990034 
1 1 1 5  7  8  o 269.161 1.9307 724.957  7.3378  266.894 2.8230 271.427 2.6347 -4.533051      3.861444 
1 1 1 5  7  10 f 419.085 2.7090 1755.31  16.040  427.429 3.8839 410.741 3.7775 16.68774       5.417965 
1 1 1 5  7  12 o 373.245 2.5944 1397.12  13.388  377.343 3.1812 369.147 4.0993 8.196014       5.188857 
1 1 1 5  7  14 f 794.026 5.0250 6312.32  56.069  797.822 6.6186 790.230 7.5629 7.592102       10.04998 
1 1 1 5  7  16 o 578.583 3.5980 3348.76  28.852  578.746 4.4682 578.420 5.6408 0.3259277      7.196067 
1 1 1 5  7  18 o 571.754 3.5299 3271.62  27.990  572.953 4.3908 570.555 5.5283 2.397644       7.059835 
1 1 1 5  7  20 o 425.474 2.6819 1813.03  15.941  428.463 3.4275 422.486 4.1259 5.977325       5.363821 
1 1 1 5  7  22 o 358.626 2.7379 1293.70  12.586  362.526 2.7828 354.726 4.7160 7.800110       5.475803 
1 1 1 5  7  24 o 387.485 2.8492 1497.61  14.063  385.219 2.8841 389.750 4.9147 -4.530975      5.698447 
1 1 1 5  7  26 o 176.164 1.5985 311.446  3.7441  177.623 1.7614 174.706 2.6680 2.916931       3.196965 
1 1 1 5  7  28 o 195.483 1.8586 381.404  4.7339  194.492 1.9698 196.474 3.1523 -1.981689      3.717134 
1 1 1 5  7  30 o 213.003 1.9264 456.427  5.4038  215.642 2.0727 210.364 3.2477 5.278030       3.852721 
1 1 1 5  7  32 o 133.213 1.5895 178.349  2.7505  134.499 1.6616 131.928 2.7103 2.571289       3.179064 
1 1 1 5  7  34 o 151.349 1.8303 225.309  3.4318  146.960 1.7813 155.737 3.1979 -8.776459      3.660578 
1 1 1 5  7  36 o 157.681 1.7384 248.190  3.5237  156.777 1.7920 158.585 2.9794 -1.808594      3.476814 
1 1 1 5  7  38 o 71.665  2.0792 51.618   1.8284  72.061  1.9493 71.269  3.6732 0.7925034      4.158436 
1 1 1 5  7  40 o 56.407  2.1309 31.837   1.5717  56.109  2.2759 56.705  3.6032 -0.5962067     4.261827 
1 1 1 5  7  42 o 57.974  2.3117 33.843   1.7724  58.306  2.5187 57.642  3.8770 0.6643257      4.623306 
1 1 1 5  7  44 o 64.582  1.9800 41.995   1.7513  64.881  2.3619 64.282  3.1785 0.5987167      3.959959 
1 1 1 5  7  46 o 29.583  4.6889 9.1902   1.7793  27.993  5.2126 31.173  7.7957 -3.180761      9.377851 
1 1 1 5  7  48 o 53.980  2.7487 29.019   2.0123  48.864  3.3974 59.096  4.3218 -10.23171      5.497318 
1 1 1 5  7  50 o 52.173  3.2836 25.905   2.0483  44.935  3.2682 59.410  5.6962 -14.47440      6.567120 
1 1 1 5  7  52 o 22.152  5.3176 5.6264   2.0507  24.124  6.6648 20.180  8.2879 3.944592       10.63522 
1 1 1 5  7  54 o 17.841  5.0898 2.9619   1.9670  18.169  6.5624 17.513  7.7821 0.6558609      10.17966 
1 1 1 5  8  1  o 393.195 2.7156 1546.38  15.101  394.258 3.8382 392.131 3.8428 2.126892       5.431294 
1 1 1 5  8  3  o 387.143 2.6297 1498.74  14.393  383.707 3.6775 390.580 3.7599 -6.873871      5.259416 
1 1 1 5  8  5  o 582.807 3.6639 3396.86  30.185  590.732 5.2314 574.882 5.1313 15.84985       7.327884 
1 1 1 5  8  7  o 337.273 2.2490 1137.81  10.727  338.882 3.1654 335.664 3.1957 3.218323       4.498026 
1 1 1 5  8  9  o 225.898 1.6716 509.615  5.2992  228.184 2.5184 223.610 2.1987 4.574097       3.343115 
1 1 1 5  8  11 o 1178.98 8.3988 13837.80 133.025 1158.10 9.6098 1199.87 13.777 -41.77051      16.79766 
1 1 1 5  8  13 o 1343.02 10.942 18085.22 207.714 1347.31 15.739 1338.74 15.205 8.570923       21.88367 
1 1 1 5  8  15 o 591.519 3.6481 3494.10  29.754  587.721 4.4651 595.317 5.7703 -7.595093      7.296147 
1 1 1 5  8  17 o 409.642 2.7591 1673.63  15.543  405.437 3.3544 413.847 4.3817 -8.410370      5.518296 
1 1 1 5  8  19 o 323.527 2.5725 1045.70  11.100  322.565 2.8702 324.489 4.2700 -1.924316      5.144969 
1 1 1 5  8  21 o 299.364 2.0758 895.868  8.6562  298.507 2.6310 300.221 3.2114 -1.713898      4.151547 
1 1 1 5  8  23 o 113.390 1.4654 126.452  2.1213  109.791 1.5121 116.990 2.5106 -7.198715      2.930767 
1 1 1 5  8  25 o 113.829 1.4590 128.509  2.2566  110.944 1.7266 116.714 2.3524 -5.769455      2.918009 
1 1 1 5  8  27 o 182.094 1.7864 329.974  4.2549  180.008 1.9154 184.181 3.0160 -4.173706      3.572870 
1 1 1 5  8  29 o 232.772 2.4591 540.157  7.8810  229.227 3.0083 236.316 3.8907 -7.089050      4.918108 
1 1 1 5  8  31 o 294.033 2.6500 862.872  9.6757  292.453 2.5544 295.613 4.6439 -3.159760      5.300052 
1 1 1 5  8  33 o 232.669 2.2541 543.461  6.5511  233.794 2.1848 231.545 3.9433 2.249146       4.508162 
1 1 1 5  8  35 o 47.590  2.7526 22.361   1.6031  46.425  2.6132 48.756  4.8455 -2.330894      5.505225 
1 1 1 5  8  37 o 121.538 1.6373 147.635  2.6949  120.982 1.9000 122.094 2.6671 -1.111839      3.274645 
1 1 1 5  8  39 o 23.206  4.5006 5.4007   1.4659  19.899  5.7646 26.514  6.9132 -6.615726      9.001282 
1 1 1 5  8  41 o 22.774  4.2842 5.5265   1.4183  25.744  4.6332 19.803  7.2076 5.941113       8.568325 
1 1 1 5  8  43 o 38.977  3.3121 15.347   1.7057  38.834  3.6172 39.119  5.5495 -0.2853889     6.624275 
1 1 1 5  8  45 o 76.594  2.0657 58.981   2.1246  76.202  2.3461 76.985  3.4005 -0.7827301     4.131307 
1 1 1 5  8  47 o 67.008  2.2982 45.665   1.9832  67.649  2.3596 66.368  3.9445 1.281418       4.596402 
1 1 1 5  8  49 o 16.079  4.8295 0.3767   1.8112  12.015  5.4789 20.143  7.9548 -8.127665      9.659078 
1 1 1 5  8  51 o 32.334  4.8059 12.172   2.0813  34.802  5.1371 29.865  8.1240 4.936914       9.611896 
1 1 1 5  8  53 o 16.907  4.7444 2.0887   1.7921  18.445  6.4475 15.369  6.9619 3.076288       9.488842 
1 1 1 5  8  55 o 16.956  4.9275 2.8839   1.8623  16.562  6.5394 17.350  7.3727 -0.7884045     9.854940 
1 1 1 5  9  0  o 199.588 2.4321 398.555  9.7053  199.588 2.4321 ?       ?      0.000000       0.000000 
1 1 1 5  9  2  o 186.072 1.5170 346.272  3.9884  185.952 2.1976 186.193 2.0919 -0.2410431     3.034005 
1 1 1 5  9  4  o 448.643 2.9689 2013.60  18.834  448.499 4.2425 448.787 4.1544 -0.2882080     5.937799 
1 1 1 5  9  6  o 326.354 2.2701 1065.22  10.457  326.889 3.3206 325.819 3.0963 1.069916       4.540192 
1 1 1 5  9  8  o 371.704 2.7440 1383.33  14.373  368.211 4.0751 375.196 3.6759 -6.984985      5.488000 
1 1 1 5  9  10 o 740.783 4.4888 5490.67  47.024  738.372 6.3299 743.194 6.3662 -4.821533      8.977560 
1 1 1 5  9  12 o 607.561 3.7161 3692.85  31.925  602.611 5.3084 612.511 5.2018 -9.900574      7.432200 
1 1 1 5  9  14 o 368.811 2.4001 1360.66  12.513  366.153 3.4528 371.469 3.3346 -5.315918      4.800118 
1 1 1 5  9  16 o 152.321 1.5274 232.070  3.2855  152.741 2.0902 151.902 2.2278 0.8388824      3.054813 
1 1 1 5  9  18 o 362.407 2.4622 1316.04  12.447  365.902 3.1236 358.912 3.8071 6.990356       4.924473 
1 1 1 5  9  20 o 196.768 1.5579 385.609  4.2245  193.688 1.9120 199.847 2.4601 -6.158981      3.115756 
1 1 1 5  9  22 o 364.599 2.3622 1331.58  11.972  366.890 2.9585 362.308 3.6833 4.581238       4.724334 
1 1 1 5  9  24 o 170.197 1.6760 291.725  3.7646  172.962 1.8089 167.431 2.8220 5.531403       3.351991 
1 1 1 5  9  26 o 266.561 2.1997 709.237  7.4077  265.415 2.1892 267.707 3.8161 -2.291962      4.399477 
1 1 1 5  9  28 o 179.999 2.0469 322.835  4.3698  178.902 1.8202 181.096 3.6668 -2.193939      4.093731 
1 1 1 5  9  30 o 245.443 3.2694 600.045  8.1267  244.010 2.2765 246.875 6.1296 -2.864899      6.538745 
1 1 1 5  9  32 o 87.516  1.7260 75.967   2.0123  85.596  1.9395 89.436  2.8557 -3.840012      3.452052 
1 1 1 5  9  34 o 10.765  3.5949 -2.9429  1.3583  9.6097  4.5323 11.920  5.5812 -2.310347      7.189707 
1 1 1 5  9  36 o 28.037  4.5822 7.7077   1.5598  25.304  4.7177 30.770  7.8568 -5.466574      9.164375 
1 1 1 5  9  38 o 52.570  2.1920 27.737   1.5324  52.719  2.4223 52.422  3.6540 0.2972717      4.383999 
1 1 1 5  9  40 o 87.810  1.8516 77.542   2.1180  88.408  1.9500 87.212  3.1482 1.196159       3.703158 
1 1 1 5  9  42 o 123.161 1.6799 151.836  2.7583  122.705 1.8733 123.616 2.7892 -0.9106979     3.359900 
1 1 1 5  9  44 o 31.955  3.9593 10.441   1.7274  27.526  5.7539 36.384  5.4402 -8.857798      7.918512 
1 1 1 5  9  46 o 74.373  2.1157 56.384   2.1033  76.225  2.3455 72.521  3.5218 3.703621       4.231312 
1 1 1 5  9  48 o 77.468  2.1364 60.630   2.2776  75.371  2.6261 79.564  3.3705 -4.192436      4.272835 
1 1 1 5  9  50 o 27.518  4.6092 9.1178   1.8389  33.502  4.5741 21.533  8.0036 11.96869       9.218471 
1 1 1 5  9  52 o 17.694  4.8052 1.9155   1.9714  21.046  6.8695 14.342  6.7208 6.704788       9.610373 
1 1 1 5  9  54 o 15.928  4.7196 0.9433   1.9773  19.039  7.2501 12.817  6.0444 6.222731       9.439242 
1 1 1 5  10 1  o 590.393 3.6363 3487.88  30.361  588.356 5.1440 592.431 5.1410 -4.074768      7.272579 
1 1 1 5  10 3  o 869.877 5.2762 7577.46  64.902  861.105 7.4965 878.650 7.4268 -17.54443      10.55245 
1 1 1 5  10 5  o 357.470 2.5841 1278.54  13.051  355.842 3.7502 359.098 3.5562 -3.255920      5.168191 
1 1 1 5  10 7  o 141.336 1.3435 199.528  2.6680  142.623 2.0146 140.049 1.7781 2.573715       2.687028 
1 1 1 5  10 9  o 584.503 3.6884 3415.92  30.460  578.714 5.1083 590.292 5.3218 -11.57782      7.376803 
1 1 1 5  10 11 o 594.265 3.5860 3532.26  30.134  591.103 5.0445 597.428 5.0980 -6.324829      7.171904 
1 1 1 5  10 13 o 203.793 2.5610 411.124  7.2242  212.358 3.9689 195.229 3.2378 17.12939       5.122086 
1 1 1 5  10 15 o 764.936 4.5302 5852.47  48.974  770.343 6.5231 759.529 6.2881 10.81464       9.060432 
1 1 1 5  10 17 o 350.738 2.3704 1227.07  11.670  357.332 3.5559 344.144 3.1355 13.18732       4.740854 
1 1 1 5  10 19 o 625.913 3.8749 3924.26  33.949  629.732 4.9987 622.094 5.9222 7.637268       7.749795 
1 1 1 5  10 21 o 466.560 3.1833 2178.53  20.922  467.157 4.2644 465.962 4.7275 1.194916       6.366651 
1 1 1 5  10 23 o 264.786 1.8986 701.474  6.9502  265.013 2.3371 264.559 2.9927 0.4537048      3.797111 
1 1 1 5  10 25 o 129.835 1.4745 167.884  2.5109  128.588 1.5890 131.082 2.4842 -2.494125      2.948923 
1 1 1 5  10 27 f 181.923 1.7400 333.432  4.1306  184.731 1.8319 179.115 2.9588 5.616211       3.479963 
1 1 1 5  10 29 o 170.963 1.8812 292.517  4.0193  171.015 1.8295 170.911 3.2876 0.1034851      3.762327 
1 1 1 5  10 31 f 436.612 3.4203 1921.41  19.169  441.470 3.4856 431.754 5.8859 9.716217       6.840536 
1 1 1 5  10 33 f 188.736 2.0833 360.348  4.9780  192.447 2.0570 185.026 3.6234 7.421143       4.166625 
1 1 1 5  10 35 o 162.478 1.7952 262.572  3.7631  160.312 1.8720 164.645 3.0637 -4.333008      3.590319 
1 1 1 5  10 37 o 118.924 1.7546 140.441  2.6689  117.010 1.8008 120.839 3.0118 -3.828384      3.509122 
1 1 1 5  10 39 o 40.479  2.6792 16.473   1.5297  40.488  3.6271 40.471  3.9443 0.1798630E-01  5.358459 
1 1 1 5  10 41 o 16.517  4.5419 1.5554   1.5554  17.380  6.1523 15.654  6.6832 1.726315       9.083801 
1 1 1 5  10 43 o 16.136  4.7576 0.7571   1.7057  13.915  5.8759 18.358  7.4843 -4.442412      9.515281 
1 1 1 5  10 45 o 21.238  4.6890 4.5563   1.6625  24.335  6.0524 18.142  7.1634 6.193583       9.378001 
1 1 1 5  10 47 o 35.476  4.3786 13.504   1.8437  35.772  3.9269 35.181  7.8274 0.5909882      8.757165 
1 1 1 5  10 49 o 17.848  5.3885 1.3568   1.8996  13.111  5.6450 22.585  9.1802 -9.473599      10.77696 
1 1 1 5  10 51 o 18.246  5.2765 2.5431   2.0140  17.346  6.5174 19.145  8.3000 -1.798893      10.55309 
1 1 1 5  10 53 o 18.171  5.1070 3.4094   1.9500  18.296  6.8015 18.045  7.6200 0.2510509      10.21393 
1 1 1 5  11 0  o 506.454 4.5521 2566.15  46.100  506.454 4.5521 ?       ?      0.000000       0.000000 
1 1 1 5  11 2  o 447.194 3.0539 1999.36  19.296  452.607 4.4015 441.780 4.2347 10.82623       6.107850 
1 1 1 5  11 4  o 378.638 2.6537 1434.04  14.201  378.475 3.8296 378.800 3.6746 -0.3241882     5.307400 
1 1 1 5  11 6  o 466.143 3.0902 2173.55  20.363  466.720 4.2957 465.565 4.4435 1.154449       6.180476 
1 1 1 5  11 8  o 620.031 3.8738 3845.06  33.959  624.038 5.5354 616.023 5.4209 8.014587       7.747683 
1 1 1 5  11 10 o 774.065 4.6546 5994.79  50.953  777.599 6.5608 770.531 6.6044 7.068115       9.309220 
1 1 1 5  11 12 o 837.192 5.0297 7008.15  59.444  845.352 7.3265 829.032 6.8931 16.32025       10.05947 
1 1 1 5  11 14 o 321.832 2.2236 1035.88  10.120  323.181 3.1413 320.483 3.1479 2.697906       4.447140 
1 1 1 5  11 16 o 253.991 2.5322 645.695  9.0218  255.176 3.3029 252.805 3.8390 2.371017       5.064322 
1 1 1 5  11 18 o 471.213 3.0191 2221.30  20.100  471.425 4.3748 471.002 4.1618 0.4235535      6.038126 
1 1 1 5  11 20 o 231.454 1.7967 537.042  5.7919  234.121 2.2636 228.788 2.7908 5.333328       3.593409 
1 1 1 5  11 22 o 233.877 1.8162 547.099  5.8947  233.816 2.2666 233.938 2.8385 -0.1223602     3.632445 
1 1 1 5  11 24 o 65.195  1.5601 42.553   1.4359  64.215  2.2869 66.175  2.1227 -1.959518      3.120274 
1 1 1 5  11 26 o 154.309 1.6310 237.495  3.3957  153.017 1.8777 155.602 2.6672 -2.585022      3.261919 
1 1 1 5  11 28 o 171.839 1.8687 295.168  4.3154  171.341 2.1241 172.338 3.0751 -0.9966278     3.737405 
1 1 1 5  11 30 o 72.411  1.8475 52.084   1.7438  71.277  1.9708 73.545  3.1254 -2.268433      3.694905 
1 1 1 5  11 32 o 285.182 2.4478 811.775  8.7214  283.551 2.3869 286.812 4.2743 -3.261841      4.895635 
1 1 1 5  11 34 o 238.006 2.1734 569.166  6.6681  239.492 2.2395 236.521 3.7254 2.970673       4.346730 
1 1 1 5  11 36 o 142.352 1.7832 203.170  3.2663  142.756 1.8338 141.948 3.0587 0.8074646      3.566334 
1 1 1 5  11 38 o 32.218  3.5985 10.774   1.5480  34.174  4.1104 30.261  5.9077 3.913332       7.196960 
1 1 1 5  11 40 o 65.127  2.0155 42.450   1.8318  64.123  2.5890 66.130  3.0897 -2.007530      4.030972 
1 1 1 5  11 42 o 37.051  4.0085 14.854   1.7618  40.435  3.4740 33.668  7.2253 6.766499       8.017060 
1 1 1 5  11 44 o 21.944  5.2533 4.4570   1.7962  17.841  6.2989 26.047  8.4090 -8.206593      10.50651 
1 1 1 5  11 46 o 28.939  4.1050 9.0768   1.6125  31.710  4.6313 26.168  6.7790 5.541754       8.209988 
1 1 1 5  11 48 o 15.701  4.7436 0.7134   1.7724  14.120  5.9873 17.283  7.3593 -3.163444      9.487201 
1 1 1 5  11 50 o 33.425  4.8544 13.425   2.0188  37.870  4.2151 28.979  8.7460 8.890776       9.708748 
1 1 1 5  11 52 o 17.732  4.7953 2.2713   1.7057  12.253  5.5017 23.211  7.8556 -10.95861      9.590547 
1 1 1 5  11 54 o 19.078  5.1628 4.5386   1.9218  18.329  6.9076 19.826  7.6747 -1.497141      10.32551 
1 1 1 5  12 1  o 550.562 3.7028 3032.34  28.828  555.247 5.2093 545.878 5.2636 9.369324       7.405517 
1 1 1 5  12 3  o 207.391 1.7003 430.374  4.9730  206.051 2.5100 208.731 2.2942 -2.679672      3.400531 
1 1 1 5  12 5  o 495.913 3.2363 2458.61  22.686  487.527 4.5446 504.298 4.6087 -16.77075      6.472509 
1 1 1 5  12 7  o 882.546 5.2332 7792.21  65.303  874.806 7.3499 890.286 7.4516 -15.47968      10.46650 
1 1 1 5  12 9  o 464.450 3.0889 2155.63  20.204  468.390 4.5803 460.510 4.1457 7.879333       6.177865 
1 1 1 5  12 11 o 844.071 5.0332 7126.84  60.061  836.122 7.0485 852.019 7.1868 -15.89673      10.06632 
1 1 1 5  12 13 f 485.533 3.1451 2357.87  21.550  486.048 4.6110 485.019 4.2785 1.028839       6.290179 
1 1 1 5  12 15 o 1161.88 7.1939 13521.67 117.042 1163.48 10.959 1160.28 9.3221 3.193848       14.38778 
1 1 1 5  12 17 o 409.386 2.6753 1674.36  15.436  414.822 3.9404 403.951 3.6197 10.87094       5.350610 
1 1 1 5  12 19 o 372.725 2.5209 1390.27  13.276  370.118 3.6573 375.332 3.4704 -5.213837      5.041762 
1 1 1 5  12 21 o 198.115 1.5759 391.934  4.3724  196.137 2.0509 200.094 2.3933 -3.957199      3.151814 
1 1 1 5  12 23 o 238.020 1.8325 568.280  6.0871  241.595 2.3257 234.445 2.8324 7.149673       3.664910 
1 1 1 5  12 25 o 116.932 1.3146 136.715  2.1634  116.552 1.7531 117.313 1.9594 -0.7610245     2.629143 
1 1 1 5  12 27 o 224.473 2.4133 499.061  6.6382  220.636 2.2862 228.310 4.2509 -7.673706      4.826694 
1 1 1 5  12 29 o 273.919 3.0634 755.139  9.1520  275.616 2.3630 272.223 5.6527 3.393219       6.126726 
1 1 1 5  12 31 o 115.532 1.6475 133.419  2.4621  115.275 1.7171 115.789 2.8123 -0.5137482     3.295082 
1 1 1 5  12 33 o 93.113  1.7853 86.070   2.1550  91.495  1.8842 94.731  3.0331 -3.236015      3.570687 
1 1 1 5  12 35 o 141.625 1.7378 202.252  3.2383  144.003 1.8623 139.247 2.9347 4.756042       3.475660 
1 1 1 5  12 37 o 39.400  3.4691 15.750   1.6175  39.895  3.0409 38.906  6.2363 0.9884529      6.938222 
1 1 1 5  12 39 o 85.908  1.7319 74.562   2.0511  88.608  2.0897 83.209  2.7625 5.398773       3.463843 
1 1 1 5  12 41 o 62.338  2.6543 37.544   2.0432  58.180  2.6339 66.496  4.6090 -8.316048      5.308565 
1 1 1 5  12 43 o 50.044  2.4466 25.852   1.5987  52.745  2.5421 47.342  4.1810 5.403137       4.893174 
1 1 1 5  12 45 o 31.977  4.0511 10.604   1.7308  30.302  4.8464 33.652  6.4930 -3.349802      8.102272 
1 1 1 5  12 47 o 32.156  4.4173 11.148   1.8590  31.415  4.8780 32.898  7.3659 -1.483408      8.834671 
1 1 1 5  12 49 o 23.602  4.7489 6.4599   1.8318  28.666  5.9864 18.539  7.3737 10.12684       9.497757 
1 1 1 5  12 51 o 15.932  4.9400 0.5340   2.0374  13.687  6.1216 18.177  7.7551 -4.489876      9.880079 
1 1 1 5  12 53 o 15.075  4.8663 -0.2626  2.1907  13.215  6.0758 16.935  7.6031 -3.720500      9.732512 
1 1 1 5  13 0  o 540.701 4.9843 2924.73  53.890  540.701 4.9843 ?       ?      0.000000       0.000000 
1 1 1 5  13 2  o 561.871 3.5559 3157.79  28.249  562.733 5.0832 561.010 4.9736 1.723267       7.111707 
1 1 1 5  13 4  o 343.824 2.4359 1182.30  11.844  343.017 3.4437 344.632 3.4460 -1.615387      4.871760 
1 1 1 5  13 6  o 100.433 1.4404 100.948  2.0412  99.416  2.1194 101.451 1.9511 -2.034691      2.880741 
1 1 1 5  13 8  o 545.250 3.4981 2972.09  26.960  535.060 4.9165 555.440 4.9775 -20.38000      6.996292 
1 1 1 5  13 10 o 251.160 1.9609 629.558  6.9222  255.162 2.9277 247.158 2.6092 8.004517       3.921700 
1 1 1 5  13 12 o 520.646 3.3342 2711.25  24.545  523.869 4.7534 517.424 4.6769 6.445801       6.668450 
1 1 1 5  13 14 o 520.260 3.1936 2707.65  23.494  519.170 4.4767 521.350 4.5559 -2.180054      6.387269 
1 1 1 5  13 16 o 490.854 3.2301 2411.44  22.405  487.070 4.6799 494.637 4.4534 -7.566589      6.460268 
1 1 1 5  13 18 o 339.053 2.3194 1147.84  11.048  343.696 3.4740 334.411 3.0740 9.284790       4.638804 
1 1 1 5  13 20 o 79.498  1.4216 63.237   1.5937  79.096  2.0989 79.900  1.9179 -0.8042221     2.843153 
1 1 1 5  13 22 o 298.067 2.1008 889.099  8.8238  297.214 3.1150 298.920 2.8196 -1.705353      4.201597 
1 1 1 5  13 24 f 181.949 1.5948 329.947  4.0226  179.079 1.9967 184.818 2.4874 -5.738800      3.189680 
1 1 1 5  13 26 o 149.428 2.2468 228.484  4.1047  154.955 2.0603 143.902 3.9934 11.05316       4.493540 
1 1 1 5  13 28 o 115.998 1.7057 135.503  2.5781  117.636 1.7912 114.360 2.9033 3.276337       3.411378 
1 1 1 5  13 30 o 82.937  1.5802 68.831   1.7520  82.947  1.7705 82.927  2.6179 0.2025604E-01  3.160347 
1 1 1 5  13 32 o 84.981  1.5038 72.399   1.6578  85.297  1.5720 84.665  2.5641 0.6327515      3.007645 
1 1 1 5  13 34 o 54.632  2.5386 30.605   1.8181  57.579  2.6614 51.685  4.3238 5.894070       5.077260 
1 1 1 5  13 36 o 123.078 1.6199 151.753  2.6949  123.213 1.8656 122.944 2.6487 0.2689285      3.239717 
1 1 1 5  13 38 o 23.180  4.2333 5.6006   1.5116  27.793  4.5948 18.568  7.1114 9.224819       8.466665 
1 1 1 5  13 40 o 32.864  3.7671 11.093   1.6625  32.989  4.4517 32.740  6.0783 0.2486343      7.534184 
1 1 1 5  13 42 o 48.744  2.6518 23.980   1.7057  48.717  2.8834 48.771  4.4512 -0.5370331E-01 5.303527 
1 1 1 5  13 44 o 16.311  4.6220 1.4448   1.6125  14.576  6.0732 18.046  6.9690 -3.469339      9.243924 
1 1 1 5  13 46 o 29.353  5.4303 9.6414   2.1213  28.211  6.0590 30.496  9.0133 -2.284330      10.86052 
1 1 1 5  13 48 o 43.309  3.9973 19.411   2.0708  41.633  3.6808 44.985  7.0969 -3.352211      7.994602 
1 1 1 5  13 50 o 40.729  3.0599 17.509   1.7274  39.948  3.8360 41.511  4.7683 -1.562592      6.119811 
1 1 1 5  13 52 o 26.464  4.4045 8.9170   1.8318  34.413  4.8240 18.515  7.3707 15.89814       8.808987 
1 1 1 5  14 1  o 835.343 5.0965 6979.78  60.189  846.635 7.2476 824.051 7.1672 22.58331       10.19295 
1 1 1 5  14 3  o 1004.51 5.9872 10098.83 85.041  1003.89 8.5546 1005.13 8.3789 -1.236572      11.97441 
1 1 1 5  14 5  o 1057.76 6.3730 11197.06 95.288  1052.66 8.8680 1062.86 9.1553 -10.20227      12.74602 
1 1 1 5  14 7  o 974.195 5.8624 9495.72  80.739  983.781 8.3725 964.609 8.2079 19.17157       11.72472 
1 1 1 5  14 9  o 456.977 3.0280 2086.95  19.543  450.281 4.1831 463.672 4.3791 -13.39090      6.055966 
1 1 1 5  14 11 o 201.994 1.6652 408.035  4.7566  200.777 2.3533 203.211 2.3566 -2.433716      3.330393 
1 1 1 5  14 13 o 445.805 2.9436 1987.27  18.514  448.161 4.3169 443.448 4.0028 4.712860       5.887125 
1 1 1 5  14 15 o 293.770 2.0550 861.307  8.4608  297.872 3.1082 289.668 2.6892 8.203613       4.110036 
1 1 1 5  14 17 o 140.201 1.4463 196.325  2.7807  140.859 2.3118 139.544 1.7388 1.314972       2.892699 
1 1 1 5  14 19 f 286.113 1.9579 818.694  7.9046  286.924 2.8707 285.303 2.6632 1.621643       3.915806 
1 1 1 5  14 21 o 213.110 1.6891 455.090  5.0663  209.557 2.5289 216.663 2.2397 -7.106522      3.378150 
1 1 1 5  14 23 o 252.087 1.8921 636.454  6.7349  246.842 2.7678 257.332 2.5805 -10.48978      3.784106 
1 1 1 5  14 25 o 168.161 1.6514 282.917  3.9265  165.655 2.3512 170.666 2.3196 -5.010666      3.302808 
1 1 1 5  14 27 o 347.582 2.8840 1219.49  13.431  354.926 3.2202 340.237 4.7854 14.68909       5.768012 
1 1 1 5  14 29 o 161.912 1.9837 263.115  4.0547  162.742 1.9617 161.082 3.4485 1.659622       3.967469 
1 1 1 5  14 31 o 51.102  2.6448 26.107   1.8181  50.750  3.0196 51.455  4.3432 -0.7051544     5.289691 
1 1 1 5  14 33 o 94.368  1.6284 88.327   2.0318  92.328  1.7981 96.409  2.7154 -4.080452      3.256740 
1 1 1 5  14 35 f 40.192  2.5587 16.303   1.4189  41.160  3.1026 39.223  4.0697 1.936398       5.117424 
1 1 1 5  14 37 o 85.536  2.0160 73.934   2.3429  87.589  2.3327 83.483  3.2888 4.105614       4.032093 
1 1 1 5  14 39 o 91.092  1.8144 83.962   2.1655  92.970  1.9230 89.215  3.0775 3.754814       3.628885 
1 1 1 5  14 41 o 99.550  1.9110 100.455  2.5182  101.669 2.0725 97.430  3.2112 4.238846       3.821902 
1 1 1 5  14 43 o 22.833  4.9823 5.2005   1.8318  18.097  6.7867 27.570  7.2962 -9.472908      9.964630 
1 1 1 5  14 45 o 16.148  4.8209 0.7130   1.8623  15.892  6.4395 16.405  7.1761 -0.5132198     9.641787 
1 1 1 5  14 47 o 28.768  4.8418 9.3012   1.8841  26.749  6.1005 30.788  7.5203 -4.038456      9.683530 
1 1 1 5  14 49 o 13.900  4.3562 -1.4137  1.8192  16.348  6.7490 11.452  5.5097 4.895679       8.712423 
1 1 1 5  14 51 o 26.580  5.0656 8.8595   1.9427  26.251  6.9451 26.909  7.3763 -0.6577663     10.13130 
1 1 1 5  14 53 o 17.075  5.1332 2.6667   2.1409  16.566  6.9212 17.585  7.5827 -1.019587      10.26645 
1 1 1 5  15 0  o 651.692 6.3110 4249.25  82.239  651.692 6.3110 ?       ?      0.000000       0.000000 
1 1 1 5  15 2  o 757.935 4.8697 5747.78  52.195  754.446 6.8721 761.424 6.9014 -6.977844      9.739383 
1 1 1 5  15 4  o 769.985 4.8451 5933.32  52.739  755.666 6.9455 784.304 6.7571 -28.63757      9.690114 
1 1 1 5  15 6  o 234.350 1.8510 549.536  6.1270  231.992 2.6972 236.707 2.5356 -4.714478      3.701929 
1 1 1 5  15 8  o 437.228 2.9849 1912.85  18.361  436.031 4.4663 438.426 3.9613 -2.394897      5.969887 
1 1 1 5  15 10 o 240.344 1.8976 577.350  6.4388  242.614 2.7634 238.074 2.6015 4.540207       3.795257 
1 1 1 5  15 12 o 276.937 2.1199 767.070  8.2961  277.166 3.0639 276.708 2.9305 0.4584656      4.239759 
1 1 1 5  15 14 o 921.105 5.8486 8502.33  75.855  920.831 7.8146 921.378 8.7039 -0.5473022     11.69730 
1 1 1 5  15 16 o 206.327 1.8957 425.888  5.5081  206.000 2.8206 206.655 2.5336 -0.6553040     3.791389 
1 1 1 5  15 18 o 199.024 1.6110 396.256  4.5334  196.618 2.3057 201.430 2.2506 -4.812241      3.222007 
1 1 1 5  15 20 o 375.461 2.5132 1410.40  13.342  370.797 3.5473 380.125 3.5610 -9.328735      5.026330 
1 1 1 5  15 22 o 135.466 1.4556 183.709  2.7595  134.826 2.2258 136.105 1.8765 -1.279282      2.911267 
1 1 1 5  15 24 o 120.037 1.6223 144.624  2.6502  118.805 2.6334 121.269 1.8955 -2.464211      3.244663 
1 1 1 5  15 26 o 185.853 2.1142 347.588  5.3231  188.902 2.4337 182.804 3.4579 6.097641       4.228457 
1 1 1 5  15 28 o 130.226 1.7091 169.890  2.9039  130.541 1.8097 129.911 2.8998 0.6303711      3.418208 
1 1 1 5  15 30 f 254.215 2.2180 645.616  7.3794  252.848 2.3737 255.583 3.7473 -2.734634      4.435903 
1 1 1 5  15 32 o 241.663 2.2168 585.382  6.8759  241.891 2.2701 241.436 3.8082 0.4549255      4.433512 
1 1 1 5  15 34 o 76.359  2.0064 58.392   2.0813  76.258  2.3444 76.460  3.2568 -0.2020721     4.012898 
1 1 1 5  15 36 o 172.463 1.8731 296.461  4.1232  170.632 1.9084 174.295 3.2237 -3.663773      3.746282 
1 1 1 5  15 38 o 19.745  4.9157 3.3486   1.6861  16.736  6.3554 22.754  7.5010 -6.017994      9.831377 
1 1 1 5  15 40 o 32.363  4.1831 10.841   1.7966  32.113  4.7719 32.613  6.8718 -0.5000343     8.366117 
1 1 1 5  15 42 o 32.772  4.1629 11.632   1.7923  36.462  4.3778 29.081  7.0820 7.381514       8.325859 
1 1 1 5  15 44 f 65.023  2.3040 42.598   2.0587  63.590  2.8115 66.456  3.6510 -2.865715      4.608068 
1 1 1 5  15 46 o 44.057  3.2423 20.280   1.9052  44.291  3.6040 43.824  5.3908 0.4667130      6.484588 
1 1 1 5  15 48 o 16.353  4.8371 1.3042   1.8297  16.147  6.2995 16.558  7.3421 -0.4114914     9.674180 
1 1 1 5  15 50 o 15.909  4.7880 0.7094   1.9865  17.479  6.9146 14.339  6.6248 3.140195       9.576004 
1 1 1 5  15 52 o 15.726  4.7373 1.3017   1.9464  17.177  6.7916 14.274  6.6063 2.902781       9.474649 
1 1 1 5  16 1  o 203.784 1.7946 415.182  5.1687  205.428 2.5798 202.139 2.4954 3.288895       3.589186 
1 1 1 5  16 3  o 270.660 2.3272 732.365  8.8979  272.853 3.3698 268.468 3.2107 4.384766       4.654469 
1 1 1 5  16 5  o 295.703 2.1414 875.488  8.9277  291.912 3.1716 299.494 2.8781 -7.582428      4.282842 
1 1 1 5  16 7  f 400.522 2.6772 1604.63  15.164  400.355 3.7957 400.690 3.7766 -0.3352661     5.354485 
1 1 1 5  16 9  o 536.974 3.5325 2884.30  26.787  538.974 5.1415 534.974 4.8457 3.999634       7.065090 
1 1 1 5  16 11 o 478.720 3.1788 2293.29  21.517  475.864 4.5486 481.576 4.4416 -5.711792      6.357536 
1 1 1 5  16 13 o 319.341 2.3619 1019.31  10.639  322.465 3.4651 316.218 3.2105 6.246857       4.723827 
1 1 1 5  16 15 o 579.625 3.8733 3363.54  31.512  579.475 5.8509 579.776 5.0770 -0.3011475     7.746538 
1 1 1 5  16 17 o 178.314 1.5952 318.012  4.0216  178.797 2.2855 177.832 2.2261 0.9654541      3.190475 
1 1 1 5  16 19 o 359.427 2.5454 1291.95  12.895  361.981 3.7571 356.874 3.4352 5.106293       5.090839 
1 1 1 5  16 21 o 217.680 1.8074 474.327  5.5432  216.487 2.6839 218.873 2.4213 -2.385651      3.614736 
1 1 1 5  16 23 o 231.336 1.7881 535.955  5.8380  228.352 2.6284 234.321 2.4252 -5.969376      3.576288 
1 1 1 5  16 25 o 99.449  1.7775 99.057   2.4754  98.867  2.7125 100.032 2.2979 -1.165352      3.554952 
1 1 1 5  16 27 o 140.553 1.7664 199.133  3.3723  143.749 2.0432 137.358 2.8821 6.391647       3.532851 
1 1 1 5  16 29 o 52.732  2.3052 28.505   1.5224  54.992  2.2060 50.472  4.0483 4.520939       4.610315 
1 1 1 5  16 31 o 54.823  2.2925 29.882   1.6857  53.682  2.6167 55.964  3.7651 -2.281094      4.585066 
1 1 1 5  16 33 o 85.618  1.8837 73.479   2.1454  85.795  2.0838 85.442  3.1387 0.3534317      3.767421 
1 1 1 5  16 35 o 43.993  2.9384 19.461   1.7057  43.977  3.1942 44.010  4.9328 -0.3297043E-01 5.876712 
1 1 1 5  16 37 o 19.031  5.0089 2.8565   1.7923  18.930  6.7115 19.131  7.4373 -0.2011776     10.01786 
1 1 1 5  16 39 o 38.251  3.1458 14.857   1.6866  39.278  4.0640 37.224  4.8028 2.053638       6.291530 
1 1 1 5  16 41 o 67.592  2.3876 45.170   2.0523  65.038  2.4543 70.145  4.0962 -5.106636      4.775210 
1 1 1 5  16 43 o 23.280  5.0522 5.7119   1.8830  19.960  7.2132 26.600  7.0759 -6.640110      10.10438 
1 1 1 5  16 45 o 19.624  5.4092 3.0896   1.8869  15.833  6.1643 23.415  8.8903 -7.582765      10.81834 
1 1 1 5  16 47 o 30.381  4.8463 10.396   1.9454  26.970  6.0660 33.791  7.5599 -6.821434      9.692689 
1 1 1 5  16 49 o 12.068  4.0167 -2.9371  1.7878  11.987  5.6534 12.149  5.7074 -0.1620779     8.033361 
1 1 1 5  16 51 o 29.930  4.7955 11.569   2.1385  37.953  5.5518 21.907  7.8209 16.04540       9.591056 
1 1 1 5  17 0  o 544.268 4.8812 2963.68  53.124  544.268 4.8812 ?       ?      0.000000       0.000000 
1 1 1 5  17 2  o 251.285 2.0222 631.511  7.1762  251.499 2.9450 251.070 2.7720 0.4293823      4.044387 
1 1 1 5  17 4  o 58.873  1.9201 34.604   1.5860  59.577  2.8937 58.169  2.5246 1.408451       3.840193 
1 1 1 5  17 6  o 156.407 1.7466 244.255  3.8500  153.735 2.3674 159.080 2.5688 -5.345245      3.493301 
1 1 1 5  17 8  o 535.988 3.5758 2874.73  27.103  532.227 5.0507 539.749 5.0631 -7.522339      7.151517 
1 1 1 5  17 10 f 358.505 2.5696 1285.69  13.018  359.267 3.7144 357.743 3.5518 1.524109       5.139278 
1 1 1 5  17 12 o 149.124 2.0580 221.358  4.3080  143.990 2.7493 154.258 3.0630 -10.26825      4.115904 
1 1 1 5  17 14 o 149.231 1.5363 221.473  3.1533  152.307 2.4315 146.155 1.8785 6.152603       3.072621 
1 1 1 5  17 16 o 269.067 1.9718 724.247  7.5012  269.196 2.8226 268.938 2.7540 0.2583313      3.943542 
1 1 1 5  17 18 o 149.763 1.4636 224.525  3.0964  146.842 2.1306 152.684 2.0073 -5.841705      2.927258 
1 1 1 5  17 20 o 265.083 2.0368 702.591  7.6076  267.133 3.0117 263.033 2.7430 4.100342       4.073624 
1 1 1 5  17 22 o 215.596 1.7723 463.945  5.3529  218.901 2.6835 212.291 2.3159 6.610291       3.544678 
1 1 1 5  17 24 o 147.188 1.6528 217.260  3.2865  146.199 2.7078 148.178 1.8960 -1.978836      3.305568 
1 1 1 5  17 26 o 57.934  2.2599 33.405   1.8318  59.965  3.4073 55.903  2.9696 4.062206       4.519797 
1 1 1 5  17 28 o 195.666 2.1551 383.040  5.7804  195.038 2.5863 196.293 3.4480 -1.255112      4.310134 
1 1 1 5  17 30 o 168.108 1.9546 286.209  4.3110  172.452 2.0734 163.763 3.3141 8.689621       3.909264 
1 1 1 5  17 32 o 152.244 1.7220 232.133  3.5039  152.345 1.9279 152.143 2.8538 0.2026062      3.443990 
1 1 1 5  17 34 o 109.940 1.4785 121.318  2.2123  110.721 1.7300 109.160 2.3982 1.561218       2.957098 
1 1 1 5  17 36 o 25.989  4.3642 7.2364   1.7027  32.191  4.7604 19.788  7.3159 12.40266       8.728387 
1 1 1 5  17 38 o 38.835  2.9613 15.116   1.6125  36.980  3.9712 40.689  4.3938 -3.709316      5.922501 
1 1 1 5  17 40 o 17.886  5.2246 1.2437   1.9988  16.826  6.4622 18.945  8.2113 -2.118820      10.44913 
1 1 1 5  17 42 o 53.763  2.5035 29.523   1.8701  55.494  3.1066 52.033  3.9268 3.461838       5.007036 
1 1 1 5  17 44 o 46.874  3.6062 23.437   2.2117  49.082  3.7726 44.666  6.1469 4.416023       7.212316 
1 1 1 5  17 46 o 19.649  4.9609 3.7100   1.8147  16.190  6.6465 23.108  7.3667 -6.918055      9.921864 
1 1 1 5  17 48 o 19.132  5.0600 3.4966   1.9500  21.154  6.8695 17.110  7.4313 4.043793       10.11999 
1 1 1 5  17 50 o 24.330  5.3900 7.5599   1.9921  20.705  6.8695 27.955  8.3077 -7.250027      10.77999 
1 1 1 5  18 1  o 294.566 2.4222 868.057  10.087  295.564 3.3701 293.567 3.4800 1.996613       4.844328 
1 1 1 5  18 3  o 422.731 3.0565 1788.25  18.243  421.795 4.4657 423.667 4.1746 -1.872406      6.113071 
1 1 1 5  18 5  o 147.824 1.8787 218.567  3.9265  150.199 2.6357 145.448 2.6778 4.750763       3.757326 
1 1 1 5  18 7  o 315.756 2.4232 997.667  10.736  315.171 3.6669 316.341 3.1689 -1.170044      4.846438 
1 1 1 5  18 9  o 260.301 1.9600 677.631  7.2128  258.769 2.7389 261.833 2.8044 -3.063721      3.919956 
1 1 1 5  18 11 o 201.995 1.6875 408.020  4.8188  203.385 2.4173 200.605 2.3553 2.779831       3.375067 
1 1 1 5  18 13 o 263.057 1.9997 692.148  7.4373  258.483 2.8407 267.631 2.8152 -9.148163      3.999391 
1 1 1 5  18 15 o 232.443 1.8468 540.803  6.0631  229.941 2.6935 234.944 2.5274 -5.003021      3.693645 
1 1 1 5  18 17 o 197.075 1.7307 387.676  4.7951  200.487 2.5797 193.662 2.3079 6.824677       3.461367 
1 1 1 5  18 19 o 125.546 1.4613 156.691  2.5383  128.719 2.2818 122.373 1.8262 6.345474       2.922603 
1 1 1 5  18 21 o 241.453 2.0027 582.352  6.7938  244.876 2.9986 238.030 2.6556 6.845779       4.005484 
1 1 1 5  18 23 o 211.573 1.9923 449.428  5.7382  209.390 3.2323 213.756 2.3299 -4.366272      3.984523 
1 1 1 5  18 25 o 241.186 2.6091 585.768  8.3414  244.338 2.8484 238.035 4.3723 6.303146       5.218277 
1 1 1 5  18 27 o 83.715  1.6199 69.554   1.8815  86.756  2.5023 80.674  2.0578 6.082626       3.239777 
1 1 1 5  18 29 o 87.831  1.7237 77.295   2.1385  86.448  2.5112 89.214  2.3618 -2.765816      3.447400 
1 1 1 5  18 31 o 27.076  4.1890 7.5526   1.5324  24.945  5.5219 29.206  6.3008 -4.260668      8.378070 
1 1 1 5  18 33 o 67.219  2.1702 45.212   1.8973  66.889  2.2910 67.549  3.6865 -0.6598434     4.340367 
1 1 1 5  18 35 o 41.576  3.0115 17.535   1.7553  44.193  3.9010 38.959  4.5889 5.233803       6.022914 
1 1 1 5  18 37 o 91.314  1.9302 84.125   2.3188  92.467  2.0716 90.162  3.2576 2.305145       3.860492 
1 1 1 5  18 39 o 114.909 1.8833 131.703  2.8366  112.994 2.0343 116.824 3.1700 -3.829483      3.766594 
1 1 1 5  18 41 o 63.043  2.1173 40.191   1.8787  63.533  2.8140 62.554  3.1642 0.9782791      4.234509 
1 1 1 5  18 43 o 27.979  5.5785 9.0143   2.2566  28.324  6.8319 27.635  8.8205 0.6893711      11.15690 
1 1 1 5  18 45 o 18.063  4.8600 2.4924   1.7673  14.461  6.1905 21.665  7.4936 -7.204082      9.719905 
1 1 1 5  18 47 o 13.575  4.4502 -2.1344  1.9702  12.061  5.6542 15.089  6.8736 -3.028554      8.900406 
1 1 1 5  18 49 o 15.522  4.8125 0.3564   2.0813  16.385  6.7545 14.660  6.8570 1.724869       9.625077 
1 1 1 5  19 0  o 754.559 6.6438 5699.16  100.245 754.559 6.6438 ?       ?      0.000000       0.000000 
1 1 1 5  19 2  o 429.215 2.9587 1843.72  17.914  428.149 4.3546 430.281 4.0066 -2.132355      5.917404 
1 1 1 5  19 4  o 314.244 2.3866 988.079  10.590  313.265 3.4854 315.223 3.2612 -1.958099      4.773145 
1 1 1 5  19 6  o 515.335 3.2566 2658.00  23.698  514.610 4.7521 516.060 4.4542 -1.449646      6.513210 
1 1 1 5  19 8  o 186.931 1.7180 349.604  4.5190  186.519 2.5675 187.344 2.2835 -0.8247833     3.436012 
1 1 1 5  19 10 o 121.596 1.6556 147.406  2.8123  123.772 2.5278 119.420 2.1387 4.352150       3.311126 
1 1 1 5  19 12 o 405.969 2.8304 1649.32  16.247  407.695 4.0406 404.244 3.9646 3.450867       5.660773 
1 1 1 5  19 14 o 267.309 2.0969 715.188  7.9046  266.120 3.0951 268.497 2.8299 -2.376190      4.193811 
1 1 1 5  19 16 o 180.663 1.6932 326.666  4.2813  180.197 2.5867 181.129 2.1856 -0.9312744     3.386383 
1 1 1 5  19 18 o 72.950  1.9206 53.320   1.8841  72.679  3.1627 73.220  2.1801 -0.5415192     3.841283 
1 1 1 5  19 20 o 57.082  2.0935 32.390   1.6770  59.874  3.0926 54.291  2.8226 5.583065       4.187058 
1 1 1 5  19 22 o 85.023  1.8767 72.412   2.0987  84.822  3.1616 85.224  2.0229 -0.4016266     3.753351 
1 1 1 5  19 24 o 178.967 1.8225 321.293  4.5893  175.125 2.7345 182.809 2.4100 -7.683685      3.644929 
1 1 1 5  19 26 o 81.306  1.7987 64.250   1.8816  85.993  3.0443 76.619  1.9167 9.374046       3.597397 
1 1 1 5  19 28 o 186.150 1.8329 345.984  4.7850  189.780 2.7588 182.520 2.4138 7.259689       3.665744 
1 1 1 5  19 30 o 135.372 1.6353 183.240  3.1169  133.779 2.1955 136.966 2.4241 -3.187073      3.270577 
1 1 1 5  19 32 o 144.958 1.8479 211.557  3.4690  146.377 1.9193 143.538 3.1583 2.839020       3.695763 
1 1 1 5  19 34 o 22.964  4.8406 5.3610   1.6432  21.338  6.2100 24.590  7.4270 -3.252056      9.681106 
1 1 1 5  19 36 o 84.389  1.9371 72.264   2.2303  87.642  2.2585 81.135  3.1479 6.506927       3.874222 
1 1 1 5  19 38 o 51.283  3.3788 26.212   2.2902  48.996  3.7792 53.569  5.6020 -4.573040      6.757587 
1 1 1 5  19 40 o 62.875  2.1876 40.192   1.8815  64.282  2.5825 61.468  3.5318 2.814587       4.375292 
1 1 1 5  19 42 o 34.298  4.3570 12.770   2.0113  34.897  5.1232 33.700  7.0490 1.196877       8.714083 
1 1 1 5  19 44 o 24.804  4.8515 7.0236   1.9933  30.759  5.8165 18.849  7.7665 11.91034       9.703069 
1 1 1 5  19 46 o 44.485  3.4585 21.198   2.1634  44.671  4.5739 44.299  5.1888 0.3712769      6.916986 
1 1 1 5  19 48 o 39.675  4.5358 17.332   2.1424  36.985  4.3160 42.365  7.9790 -5.380024      9.071515 
1 1 1 5  19 50 o 22.522  5.3349 6.8286   2.1424  25.460  6.2966 19.584  8.6139 5.876026       10.66989 
1 1 1 5  20 1  o 109.984 1.7054 121.040  2.6463  109.432 2.5089 110.536 2.3106 -1.104919      3.410792 
1 1 1 5  20 3  o 207.371 1.8615 430.139  5.4590  208.248 2.6368 206.494 2.6283 1.754364       3.723018 
1 1 1 5  20 5  o 223.453 2.0115 499.610  6.3491  222.493 2.9272 224.412 2.7599 -1.918594      4.023083 
1 1 1 5  20 7  o 225.007 1.8803 505.452  5.9207  227.625 2.8612 222.389 2.4404 5.235779       3.760595 
1 1 1 5  20 9  o 133.898 1.5877 179.585  2.9996  130.989 2.3398 136.808 2.1469 -5.819153      3.175471 
1 1 1 5  20 11 o 395.992 2.7307 1569.31  15.291  391.988 3.8605 399.995 3.8630 -8.006439      5.461311 
1 1 1 5  20 13 o 150.051 1.5406 225.868  3.2514  146.007 2.3177 154.096 2.0303 -8.088806      3.081272 
1 1 1 5  20 15 o 248.581 2.0084 618.239  7.0438  249.011 2.9488 248.151 2.7274 0.8601837      4.016744 
1 1 1 5  20 17 o 133.223 1.5472 177.642  2.8880  132.859 2.3549 133.587 2.0075 -0.7284241     3.094414 
1 1 1 5  20 19 o 107.085 1.6299 114.000  2.4081  109.701 2.5610 104.470 2.0169 5.230743       3.259850 
1 1 1 5  20 21 f 353.985 2.8109 1252.89  13.755  356.638 4.4222 351.332 3.4712 5.306030       5.621805 
1 1 1 5  20 23 o 285.031 2.4237 813.714  9.7687  288.366 3.4099 281.697 3.4453 6.669617       4.847410 
1 1 1 5  20 25 o 112.631 1.9958 123.446  2.9590  119.846 3.3032 105.416 2.2411 14.43006       3.991687 
1 1 1 5  20 27 o 165.494 1.7132 274.468  3.9597  164.685 2.6364 166.303 2.1885 -1.618576      3.426396 
1 1 1 5  20 29 o 177.859 1.7816 317.314  4.4613  175.065 2.6625 180.652 2.3681 -5.587204      3.563225 
1 1 1 5  20 31 o 26.765  4.1599 7.5344   1.5324  25.829  6.0356 27.702  5.7264 -1.873535      8.319860 
1 1 1 5  20 33 o 50.188  2.6407 25.272   1.7966  49.795  3.0774 50.580  4.2921 -0.7843781     5.281312 
1 1 1 5  20 35 o 26.687  5.1383 7.5576   1.9503  29.015  5.4814 24.359  8.6928 4.655869       10.27669 
1 1 1 5  20 37 f 109.142 2.0273 120.110  2.8551  109.791 2.0936 108.493 3.4723 1.297569       4.054618 
1 1 1 5  20 39 o 38.352  3.3013 14.987   1.7673  37.451  4.2623 39.254  5.0424 -1.803665      6.602514 
1 1 1 5  20 41 o 40.916  3.7697 17.779   2.0374  42.736  4.0340 39.096  6.3694 3.639912       7.539340 
1 1 1 5  20 43 o 46.074  3.4736 22.083   2.2303  40.864  4.8438 51.284  4.9802 -10.41985      6.947236 
1 1 1 5  20 45 o 17.687  4.8237 1.9419   1.8318  13.056  5.9153 22.317  7.6210 -9.260773      9.647328 
1 1 1 5  20 47 o 28.009  5.7666 9.8599   2.3188  25.510  7.1969 30.508  9.0121 -4.997902      11.53318 
1 1 1 5  20 49 o 14.759  4.6108 -0.7044  2.0412  11.408  5.5336 18.110  7.3767 -6.701773      9.221501 
1 1 1 5  21 0  o 433.935 4.1650 1884.35  36.139  433.935 4.1650 ?       ?      0.000000       0.000000 
1 1 1 5  21 2  o 403.749 2.8517 1631.48  16.280  403.982 4.0778 403.516 3.9875 0.4664917      5.703374 
1 1 1 5  21 4  o 202.787 1.9037 411.400  5.4590  202.299 2.7144 203.276 2.6699 -0.9770203     3.807391 
1 1 1 5  21 6  o 349.586 2.4749 1222.24  12.197  351.729 3.6488 347.442 3.3447 4.286560       4.949812 
1 1 1 5  21 8  o 244.998 2.1193 600.553  7.3422  245.570 3.0161 244.426 2.9780 1.144333       4.238544 
1 1 1 5  21 10 o 161.768 1.6328 261.796  3.7350  161.452 2.3333 162.084 2.2848 -0.6325836     3.265696 
1 1 1 5  21 12 o 200.532 1.7337 401.992  4.9090  203.044 2.5157 198.021 2.3861 5.023422       3.467316 
1 1 1 5  21 14 o 55.937  2.4744 32.390   1.7724  51.988  4.2986 59.887  2.4522 -7.898975      4.948889 
1 1 1 5  21 16 o 183.255 1.6897 335.688  4.3549  184.729 2.5232 181.781 2.2480 2.947372       3.379354 
1 1 1 5  21 18 o 370.163 2.5303 1369.61  13.215  378.280 3.6797 362.046 3.4743 16.23447       5.060689 
1 1 1 5  21 20 o 236.650 2.1565 562.054  7.0549  234.218 3.4076 239.083 2.6439 -4.864655      4.313050 
1 1 1 5  21 22 o 143.783 2.0844 207.317  4.1793  144.998 2.6421 142.568 3.2246 2.429657       4.168783 
1 1 1 5  21 24 o 23.287  4.8478 5.3161   1.6648  27.091  7.3542 19.483  6.3183 7.608227       9.695584 
1 1 1 5  21 26 o 37.314  3.2624 13.432   1.6081  40.778  5.3237 33.850  3.7725 6.927937       6.524865 
1 1 1 5  21 28 o 117.927 1.6535 139.264  2.7218  117.886 2.5457 117.969 2.1109 -0.8371735E-01 3.306984 
1 1 1 5  21 30 o 71.779  1.8240 51.604   1.8495  72.796  2.6313 70.762  2.5265 2.034172       3.647919 
1 1 1 5  21 32 o 25.091  4.8218 6.6428   1.7553  25.305  6.7043 24.877  6.9318 0.4279423      9.643545 
1 1 1 5  21 34 o 45.690  3.3937 21.552   1.9332  47.557  3.2223 43.823  5.9737 3.733788       6.787395 
1 1 1 5  21 36 o 32.090  4.3660 10.701   1.8389  31.890  4.8053 32.289  7.2909 -0.3994312     8.731997 
1 1 1 5  21 38 o 31.162  4.2091 10.410   1.7673  33.497  4.7654 28.827  6.9395 4.669567       8.418158 
1 1 1 5  21 40 o 49.773  2.8253 25.462   1.9711  50.624  3.6577 48.921  4.3070 1.702591       5.650599 
1 1 1 5  21 42 o 13.438  4.3191 -1.4731  1.7787  12.864  5.8551 14.013  6.3510 -1.148376      8.638156 
1 1 1 5  21 44 o 17.237  4.9408 1.4706   1.9711  13.713  6.2261 20.760  7.6735 -7.046767      9.881674 
1 1 1 5  21 46 o 18.802  5.0828 3.1637   1.9608  14.858  6.4591 22.745  7.8497 -7.887081      10.16555 
1 1 1 5  21 48 o 14.520  4.6990 -0.4879  2.0813  13.081  5.9956 15.959  7.2369 -2.878560      9.397902 
1 1 1 5  22 1  o 336.346 2.4919 1132.34  11.830  336.963 3.3918 335.729 3.6515 1.233795       4.983806 
1 1 1 5  22 3  o 356.272 2.6290 1267.11  13.193  347.332 3.5663 365.211 3.8638 -17.87930      5.258087 
1 1 1 5  22 5  o 172.537 1.7671 297.916  4.3097  170.445 2.5473 174.628 2.4498 -4.182907      3.534168 
1 1 1 5  22 7  o 280.792 2.1469 788.406  8.5096  283.626 3.1292 277.957 2.9403 5.668884       4.293882 
1 1 1 5  22 9  o 365.682 2.6549 1338.55  13.624  366.044 4.0120 365.319 3.4781 0.7259216      5.309734 
1 1 1 5  22 11 o 242.430 2.0054 588.607  6.8519  240.368 2.9751 244.492 2.6899 -4.123322      4.010853 
1 1 1 5  22 13 o 124.001 1.6565 153.736  2.9020  125.749 2.3865 122.252 2.2981 3.496819       3.313050 
1 1 1 5  22 15 o 141.684 1.6221 200.229  3.1533  143.205 2.5860 140.163 1.9588 3.042450       3.244169 
1 1 1 5  22 17 o 144.311 1.7914 208.193  3.5991  145.008 2.7740 143.613 2.2675 1.394531       3.582833 
1 1 1 5  22 19 o 58.581  2.8271 33.952   2.1550  60.131  4.7783 57.030  3.0229 3.101204       5.654223 
1 1 1 5  22 21 o 113.592 1.7088 128.143  2.7084  118.189 2.5931 108.995 2.2261 9.194626       3.417583 
1 1 1 5  22 23 o 40.179  3.3770 16.209   1.9070  40.325  5.0668 40.032  4.4659 0.2932396      6.754050 
1 1 1 5  22 25 o 34.333  3.4732 11.503   1.6192  37.366  5.4681 31.299  4.2840 6.066910       6.946399 
1 1 1 5  22 27 o 107.552 1.7244 115.509  2.5930  109.346 2.6277 105.757 2.2339 3.588593       3.448888 
1 1 1 5  22 29 o 65.445  2.2814 42.025   2.0123  69.490  3.6754 61.400  2.7038 8.090473       4.562766 
1 1 1 5  22 31 o 63.274  2.2247 40.110   1.9464  63.943  3.4949 62.605  2.7537 1.338314       4.449451 
1 1 1 5  22 33 o 48.340  2.8092 23.593   1.9134  47.337  4.1815 49.343  3.7526 -2.006561      5.618443 
1 1 1 5  22 35 o 62.609  2.2759 39.318   1.9865  61.184  2.9220 64.034  3.4899 -2.850815      4.551716 
1 1 1 5  22 37 o 31.436  4.8028 10.768   2.0707  32.928  6.2378 29.945  7.3046 2.982620       9.605579 
1 1 1 5  22 39 o 39.302  4.1583 17.240   1.9921  44.004  3.7726 34.600  7.4117 9.404720       8.316588 
1 1 1 5  22 41 o 28.034  4.7282 8.9214   1.8164  28.165  5.8614 27.902  7.4208 0.2627563      9.456413 
1 1 1 5  22 43 o 20.593  5.7270 3.7541   2.4640  17.342  7.3711 23.844  8.7670 -6.502455      11.45395 
1 1 1 5  22 45 o 15.415  4.9706 -0.4550  2.0288  12.140  5.5587 18.690  8.2418 -6.550157      9.941154 
1 1 1 5  22 47 o 19.657  4.6427 3.5047   1.9865  13.383  6.3145 25.930  6.8079 -12.54660      9.285451 
1 1 1 5  23 0  o 231.772 2.9212 537.621  13.536  231.772 2.9212 ?       ?      0.000000       0.000000 
1 1 1 5  23 2  o 245.641 2.0777 602.795  7.1874  249.464 3.0714 241.817 2.7989 7.646866       4.155384 
1 1 1 5  23 4  o 221.281 2.0302 489.990  6.3530  221.194 2.8866 221.368 2.8555 -0.1746368     4.060366 
1 1 1 5  23 6  o 350.784 2.7252 1232.83  13.492  353.801 3.6996 347.766 4.0025 6.034821       5.450450 
1 1 1 5  23 8  o 179.473 1.7390 322.561  4.3974  177.903 2.5841 181.042 2.3277 -3.139847      3.477918 
1 1 1 5  23 10 o 171.870 1.5770 295.324  3.8214  173.258 2.3217 170.481 2.1348 2.777435       3.154027 
1 1 1 5  23 12 o 314.939 2.3523 992.566  10.452  316.546 3.4492 313.332 3.1993 3.213745       4.704568 
1 1 1 5  23 14 o 238.083 1.9646 567.036  6.5899  239.159 2.9101 237.007 2.6401 2.151657       3.929236 
1 1 1 5  23 16 o 78.230  1.8821 60.854   2.0354  80.261  2.9435 76.199  2.3462 4.061691       3.764149 
1 1 1 5  23 18 o 180.196 2.0293 326.493  4.9297  177.930 3.3373 182.462 2.3096 -4.532211      4.058559 
1 1 1 5  23 20 o 177.476 2.0532 314.690  4.9931  178.928 3.2830 176.023 2.4666 2.905502       4.106386 
1 1 1 5  23 22 o 147.354 1.6716 217.525  3.4772  145.941 2.4500 148.768 2.2747 -2.826141      3.343225 
1 1 1 5  23 24 o 248.250 2.3273 614.559  7.9079  252.331 3.7197 244.168 2.7981 8.163528       4.654624 
1 1 1 5  23 26 o 50.117  2.5739 24.767   1.7520  52.756  4.1150 47.478  3.0931 5.278130       5.147898 
1 1 1 5  23 28 o 113.008 1.7653 127.708  2.7731  114.193 2.7398 111.823 2.2269 2.370216       3.530672 
1 1 1 5  23 30 o 144.033 1.7774 209.400  3.5346  140.154 2.8246 147.913 2.1584 -7.758896      3.554822 
1 1 1 5  23 32 o 16.986  4.6830 1.2481   1.6432  21.179  7.4772 12.793  5.6405 8.385894       9.366065 
1 1 1 5  23 34 o 70.012  2.1418 49.302   2.0761  70.274  3.3618 69.751  2.6547 0.5229034      4.283578 
1 1 1 5  23 36 o 53.208  3.3515 28.232   2.4053  49.346  4.0112 57.070  5.3702 -7.724102      6.702905 
1 1 1 5  23 38 o 34.876  4.9465 14.136   2.2776  41.551  4.7637 28.202  8.6705 13.34858       9.893008 
1 1 1 5  23 40 o 29.152  4.3332 9.2652   1.7673  23.271  6.5714 35.032  5.6501 -11.76147      8.666423 
1 1 1 5  23 42 o 22.608  5.3237 5.9290   1.9702  22.448  6.9622 22.768  8.0557 -0.3206577     10.64733 
1 1 1 5  23 44 o 16.084  4.9126 0.9558   2.0412  15.844  6.8406 16.323  7.0526 -0.4784508     9.825136 
1 1 1 5  23 46 o 13.282  4.3712 -2.5250  2.0761  14.217  6.3518 12.348  6.0071 1.869255       8.742415 
1 1 1 5  24 1  o 220.664 2.0355 486.876  6.3453  216.663 2.8291 224.665 2.9273 -8.002060      4.070983 
1 1 1 5  24 3  o 326.005 2.4521 1064.29  11.298  324.549 3.5412 327.461 3.3928 -2.912384      4.904211 
1 1 1 5  24 5  o 178.628 1.7948 318.783  4.5190  175.668 2.4353 181.588 2.6372 -5.920197      3.589599 
1 1 1 5  24 7  o 190.680 1.7645 363.838  4.7549  190.443 2.5481 190.917 2.4414 -0.4736633     3.528913 
1 1 1 5  24 9  o 71.249  2.0908 50.771   2.1051  69.996  2.9190 72.502  2.9943 -2.505424      4.181688 
1 1 1 5  24 11 o 162.376 1.7277 263.863  3.9423  162.212 2.5979 162.540 2.2784 -0.3279724     3.455469 
1 1 1 5  24 13 o 155.199 1.6305 240.875  3.5654  156.160 2.4124 154.238 2.1941 1.922653       3.260906 
1 1 1 5  24 15 o 113.965 1.6930 129.603  2.6682  115.298 2.6582 112.632 2.0975 2.666527       3.386066 
1 1 1 5  24 17 o 173.812 1.8107 300.382  4.3547  178.563 2.8249 169.061 2.2661 9.501831       3.621462 
1 1 1 5  24 19 o 127.326 1.9197 161.692  3.2106  128.463 3.2307 126.188 2.0746 2.275475       3.839451 
1 1 1 5  24 21 o 160.177 1.8633 257.217  4.2103  157.918 2.7494 162.437 2.5157 -4.518799      3.726673 
1 1 1 5  24 23 o 82.899  2.1284 68.968   2.4885  81.162  3.1468 84.636  2.8668 -3.474770      4.256859 
1 1 1 5  24 25 o 78.502  2.1476 61.807   2.3193  78.471  3.4175 78.533  2.6017 -0.6147003E-01 4.295122 
1 1 1 5  24 27 o 109.072 1.8702 118.369  2.7119  111.088 3.1038 107.055 2.0875 4.032867       3.740462 
1 1 1 5  24 29 o 111.624 1.7445 124.854  2.6291  111.827 2.8549 111.421 2.0057 0.4056702      3.489007 
1 1 1 5  24 31 o 57.848  2.1968 33.629   1.7673  57.979  3.4139 57.716  2.7657 0.2632408      4.393623 
1 1 1 5  24 33 f 39.556  3.2791 15.996   1.8192  41.988  4.2579 37.123  4.9879 4.865376       6.558128 
1 1 1 5  24 35 o 32.374  4.3415 11.229   1.9134  32.710  6.2752 32.039  6.0014 0.6710014      8.682980 
1 1 1 5  24 37 o 15.957  4.9710 -0.8188  2.1033  12.776  5.9113 19.139  7.9938 -6.362633      9.942037 
1 1 1 5  24 39 o 32.735  5.1461 12.298   2.3196  29.662  7.3475 35.809  7.2073 -6.146276      10.29227 
1 1 1 5  24 41 o 50.171  3.2286 26.869   2.2626  47.309  4.9937 53.033  4.0935 -5.724686      6.457106 
1 1 1 5  24 43 o 37.661  3.4425 15.438   1.8147  39.098  4.4094 36.225  5.2879 2.873005       6.885061 
1 1 1 5  24 45 o 21.757  5.3204 5.1420   2.4732  27.566  7.6240 15.949  7.4231 11.61775       10.64085 
1 1 1 5  25 0  o 46.844  4.1510 22.475   3.8310  46.844  4.1510 ?       ?      0.000000       0.000000 
1 1 1 5  25 2  o 55.187  2.3347 30.285   1.7923  56.915  3.5899 53.459  2.9859 3.455948       4.669397 
1 1 1 5  25 4  o 132.185 1.5887 174.773  2.9660  132.762 2.3085 131.607 2.1832 1.154877       3.177359 
1 1 1 5  25 6  o 177.909 1.8658 316.651  4.6876  178.820 2.7137 176.999 2.5613 1.821320       3.731512 
1 1 1 5  25 8  f 124.699 1.7077 155.587  2.9792  124.768 2.6099 124.629 2.2030 0.1392212      3.415401 
1 1 1 5  25 10 o 146.801 1.6925 215.450  3.5013  148.274 2.4976 145.328 2.2846 2.945847       3.384919 
1 1 1 5  25 12 o 227.782 2.3868 518.665  7.4847  226.218 2.9072 229.345 3.7863 -3.127274      4.773650 
1 1 1 5  25 14 o 60.547  3.2436 36.876   2.2072  60.271  5.9326 60.823  2.6244 -0.5517349     6.487154 
1 1 1 5  25 16 o 36.097  4.3848 13.373   2.1540  35.333  6.9335 36.862  5.3697 -1.528851      8.769656 
1 1 1 5  25 18 o 165.262 1.8667 272.408  4.2658  167.954 2.9273 162.571 2.3173 5.382919       3.733455 
1 1 1 5  25 20 o 147.047 2.0884 216.645  4.3418  145.115 2.9920 148.980 2.9144 -3.864532      4.176798 
1 1 1 5  25 22 o 30.911  4.2295 9.9059   1.7513  29.756  6.9798 32.066  4.7790 -2.310162      8.459066 
1 1 1 5  25 24 o 108.204 1.9608 117.806  2.9275  106.665 3.1128 109.743 2.3855 -3.077606      3.921685 
1 1 1 5  25 26 o 131.857 1.8625 174.169  3.3900  132.413 2.9415 131.301 2.2856 1.112030       3.725050 
1 1 1 5  25 28 o 35.520  4.7724 14.250   1.9831  30.271  8.7734 40.769  3.7588 -10.49761      9.544710 
1 1 1 5  25 30 o 107.280 1.7904 115.442  2.6072  107.565 2.9086 106.995 2.0887 0.5698013      3.580863 
1 1 1 5  25 32 o 28.823  4.4315 8.8926   1.7414  28.379  6.8236 29.266  5.6561 -0.8877907     8.863007 
1 1 1 5  25 34 o 42.511  3.2089 18.580   1.9155  45.440  4.2155 39.583  4.8393 5.857651       6.417854 
1 1 1 5  25 36 o 21.043  5.9667 3.1986   2.5297  24.335  9.4765 17.750  7.2527 6.585436       11.93344 
1 1 1 5  25 38 o 12.322  4.1307 -4.1764  1.9469  13.407  6.2095 11.238  5.4490 2.168192       8.261311 
1 1 1 5  25 40 o 21.020  5.7675 4.0913   2.4312  17.253  7.2365 24.787  8.9826 -7.534235      11.53493 
1 1 1 5  25 42 o 17.103  5.2580 1.2997   2.1727  14.815  6.3899 19.391  8.3519 -4.576581      10.51595 
1 1 1 5  25 44 o 17.446  5.4517 0.2322   2.7656  18.349  7.3471 16.543  8.0562 1.806087       10.90331 
1 1 1 5  26 1  o 143.834 1.8634 206.878  3.7141  144.374 2.9189 143.294 2.3171 1.080353       3.726757 
1 1 1 5  26 3  o 80.889  2.1773 65.504   2.4885  81.045  3.1514 80.734  3.0053 0.3107071      4.354661 
1 1 1 5  26 5  o 107.208 1.7526 114.657  2.6186  108.926 2.6964 105.490 2.2395 3.435669       3.505169 
1 1 1 5  26 7  o 240.728 2.3126 581.539  7.7527  238.176 3.5923 243.280 2.9133 -5.104141      4.625111 
1 1 1 5  26 9  o 170.057 1.9516 289.391  4.6911  165.761 2.7734 174.352 2.7466 -8.590668      3.903291 
1 1 1 5  26 11 o 66.935  3.6135 42.795   2.5262  70.585  6.6939 63.285  2.7241 7.300606       7.226996 
1 1 1 5  26 13 o 137.986 1.8447 190.450  3.5198  138.565 2.9030 137.407 2.2769 1.157959       3.689449 
1 1 1 5  26 15 o 110.266 1.8222 122.015  2.7572  109.406 2.9181 111.126 2.1834 -1.720413      3.644480 
1 1 1 5  26 17 o 96.584  1.8580 92.700   2.4538  99.008  2.9666 94.160  2.2377 4.847687       3.715906 
1 1 1 5  26 19 o 200.984 2.4681 403.283  6.8854  204.901 3.8329 197.067 3.1104 7.834030       4.936159 
1 1 1 5  26 21 o 221.131 2.3321 490.869  7.2588  220.053 3.4819 222.209 3.1033 -2.156219      4.664154 
1 1 1 5  26 23 o 39.025  4.8160 16.732   2.0117  35.410  8.9951 42.639  3.4442 -7.228771      9.631936 
1 1 1 5  26 25 o 73.521  2.6592 55.475   2.4294  70.843  4.6867 76.198  2.5139 -5.355316      5.318357 
1 1 1 5  26 27 o 20.691  5.6329 2.8946   1.9989  24.847  9.3171 16.536  6.3332 8.310575       11.26583 
1 1 1 5  26 29 o 61.313  4.0773 36.579   2.4100  63.956  7.6873 58.671  2.7207 5.285233       8.154547 
1 1 1 5  26 31 o 86.459  2.0269 75.755   2.4545  82.225  3.1061 90.693  2.6049 -8.467674      4.053850 
1 1 1 5  26 33 o 64.478  2.4858 42.118   2.2626  61.746  3.5159 67.210  3.5150 -5.464352      4.971615 
1 1 1 5  26 35 o 30.110  4.8850 10.130   2.0253  27.792  6.7255 32.428  7.0867 -4.636007      9.770070 
1 1 1 5  26 37 o 19.031  4.9485 2.8010   1.9469  14.884  6.6117 23.179  7.3644 -8.294056      9.896911 
1 1 1 5  26 39 o 18.570  5.7159 1.2868   2.5681  17.322  7.0409 19.818  9.0062 -2.495710      11.43184 
1 1 1 5  26 41 o 25.804  4.9962 8.2300   2.1156  32.155  6.1775 19.453  7.8540 12.70220       9.992334 
1 1 1 5  26 43 o 22.616  5.8129 6.8958   2.3994  22.725  7.8491 22.507  8.5762 0.2177734      11.62575 
1 1 1 5  27 0  o 331.495 3.5450 1100.27  23.497  331.495 3.5450 ?       ?      0.000000       0.000000 
1 1 1 5  27 2  o 330.134 2.4963 1091.57  11.642  331.808 3.6177 328.460 3.4408 3.348206       4.992676 
1 1 1 5  27 4  o 200.147 2.0567 400.291  5.7655  197.666 2.6811 202.629 3.1196 -4.963104      4.113404 
1 1 1 5  27 6  o 167.508 1.7000 280.607  4.0064  168.775 2.5347 166.241 2.2661 2.533295       3.400001 
1 1 1 5  27 8  o 46.820  3.5222 22.126   2.2543  46.040  5.6861 47.599  4.1584 -1.559292      7.044423 
1 1 1 5  27 10 o 90.366  1.8736 81.761   2.3940  89.061  2.6526 91.672  2.6467 -2.610931      3.747243 
1 1 1 5  27 12 o 103.500 1.7289 107.398  2.5120  102.504 2.6162 104.495 2.2608 -1.990776      3.457729 
1 1 1 5  27 14 o 136.339 1.7537 185.841  3.2837  137.041 2.7955 135.637 2.1183 1.403458       3.507478 
1 1 1 5  27 16 o 40.385  3.7012 16.429   2.0993  39.975  5.5904 40.795  4.8520 -0.8199425     7.402314 
1 1 1 5  27 18 o 85.219  2.3079 72.320   2.7331  87.960  3.5569 82.479  2.9417 5.480606       4.615797 
1 1 1 5  27 20 o 85.351  2.1719 73.412   2.5383  84.004  3.4964 86.698  2.5776 -2.694008      4.343844 
1 1 1 5  27 22 o 69.132  2.7828 47.140   2.3126  71.118  4.9380 67.145  2.5675 3.972481       5.565579 
1 1 1 5  27 24 o 62.832  2.5674 40.555   2.1469  59.218  4.3129 66.447  2.7867 -7.228970      5.134895 
1 1 1 5  27 26 o 41.921  3.7894 17.546   2.1454  43.778  6.1258 40.065  4.4623 3.712681       7.578707 
1 1 1 5  27 28 o 46.963  3.1235 21.981   1.9155  48.634  5.2515 45.292  3.3834 3.341751       6.247083 
1 1 1 5  27 30 o 92.476  2.4285 85.744   2.8910  93.843  4.1504 91.110  2.5229 2.732948       4.857065 
1 1 1 5  27 32 o 58.985  2.7197 35.434   2.2626  58.977  3.6810 58.993  4.0047 -0.1597977E-01 5.439398 
1 1 1 5  27 34 o 29.168  5.2484 9.7691   2.1709  29.067  7.4376 29.270  7.4070 -0.2022400     10.49676 
1 1 1 5  27 36 o 31.267  5.2584 11.429   2.2986  33.115  7.1448 29.419  7.7173 3.695837       10.51688 
1 1 1 5  27 38 o 22.886  5.1099 6.0267   1.9608  19.556  7.6531 26.216  6.7732 -6.659962      10.21987 
1 1 1 5  27 40 o 15.826  4.9546 0.1632   2.0840  15.260  6.3432 16.392  7.6129 -1.132341      9.909247 
1 1 1 5  27 42 o 17.182  5.0898 2.4440   2.0511  15.698  6.6921 18.666  7.6707 -2.967529      10.17957 
1 1 1 5  28 1  o 380.235 2.7726 1450.17  14.908  382.931 3.9184 377.539 3.9237 5.392151       5.545184 
1 1 1 5  28 3  o 181.920 2.0717 330.467  5.2065  184.178 3.2588 179.662 2.5588 4.515442       4.143331 
1 1 1 5  28 5  o 154.607 2.0110 238.361  4.2896  157.235 3.1674 151.978 2.4788 5.256866       4.022056 
1 1 1 5  28 7  o 69.938  2.3889 49.037   2.3625  69.299  3.4091 70.577  3.3473 -1.278145      4.777719 
1 1 1 5  28 9  o 105.613 2.0153 112.459  2.9275  102.962 3.2247 108.264 2.4180 -5.301979      4.030596 
1 1 1 5  28 11 o 118.551 2.0336 141.425  3.1716  117.245 3.4309 119.856 2.1842 -2.610252      4.067157 
1 1 1 5  28 13 o 115.363 1.8582 132.711  2.9140  116.882 3.0045 113.843 2.1874 3.038857       3.716433 
1 1 1 5  28 15 o 97.433  1.9963 94.644   2.7084  99.866  3.0689 95.000  2.5540 4.865440       3.992671 
1 1 1 5  28 17 o 55.192  2.8158 30.904   2.1634  52.224  4.4014 58.159  3.5132 -5.934708      5.631593 
1 1 1 5  28 19 o 59.040  2.6874 35.249   2.0507  58.265  4.6027 59.815  2.7754 -1.550205      5.374699 
1 1 1 5  28 21 o 63.079  2.8513 39.862   2.3576  63.784  4.8050 62.375  3.0710 1.408863       5.702562 
1 1 1 5  28 23 o 60.404  2.8450 36.603   2.3994  61.731  4.3442 59.077  3.6747 2.654079       5.689933 
1 1 1 5  28 25 o 103.631 2.1214 107.731  3.0569  104.857 3.2882 102.405 2.6811 2.452507       4.242706 
1 1 1 5  28 27 o 124.215 1.8955 155.436  3.2186  123.346 3.0541 125.085 2.2460 -1.738243      3.791095 
1 1 1 5  28 29 o 50.890  3.4898 26.444   2.4312  51.448  5.5848 50.333  4.1863 1.115540       6.979604 
1 1 1 5  28 31 o 35.242  4.7876 13.438   2.3301  39.032  6.0527 31.452  7.4197 7.580250       9.575287 
1 1 1 5  28 33 o 25.245  5.3638 7.1846   2.0511  27.546  7.9204 22.945  7.2354 4.601597       10.72767 
1 1 1 5  28 35 o 21.892  5.6218 4.8454   2.2123  25.095  8.6239 18.690  7.2144 6.404327       11.24366 
1 1 1 5  28 37 o 34.690  4.4737 13.939   2.0511  30.358  7.5854 39.022  4.7452 -8.663883      8.947382 
1 1 1 5  28 39 o 24.899  5.7032 7.8503   2.3854  27.563  7.1295 22.235  8.9037 5.327744       11.40637 
1 1 1 5  28 41 o 23.744  5.9327 7.6391   2.4099  20.756  7.5696 26.733  9.1373 -5.976965      11.86546 
1 1 1 5  29 0  o 321.881 3.8297 1038.08  24.646  321.881 3.8297 ?       ?      0.000000       0.000000 
1 1 1 5  29 2  o 252.837 2.2679 640.598  8.1085  253.173 3.2282 252.500 3.1862 0.6734924      4.535740 
1 1 1 5  29 4  f 86.331  2.3554 74.739   2.8719  87.223  3.2210 85.439  3.4377 1.783585       4.710849 
1 1 1 5  29 6  o 149.777 2.1268 224.875  4.5012  152.486 2.9311 147.068 3.0825 5.417923       4.253604 
1 1 1 5  29 8  o 187.171 2.1404 351.272  5.6289  188.149 2.8167 186.192 3.2235 1.957413       4.280753 
1 1 1 5  29 10 o 171.089 2.1243 293.376  5.1398  171.889 3.0088 170.290 2.9996 1.599869       4.248631 
1 1 1 5  29 12 o 194.153 2.1751 377.991  5.9658  194.134 2.9930 194.171 3.1568 -0.3707886E-01 4.350111 
1 1 1 5  29 14 o 113.965 2.0052 130.375  3.2165  112.885 2.9978 115.045 2.6640 -2.160500      4.010474 
1 1 1 5  29 16 o 36.011  4.5212 13.631   2.1987  28.633  7.3280 43.390  5.2976 -14.75695      9.042363 
1 1 1 5  29 18 o 31.674  5.6301 10.659   2.5023  32.771  8.3519 30.577  7.5523 2.194153       11.26014 
1 1 1 5  29 20 o 77.892  2.4130 61.446   2.5789  75.711  3.8794 80.073  2.8707 -4.362076      4.826020 
1 1 1 5  29 22 o 60.832  3.5071 37.460   2.9670  60.907  5.4513 60.756  4.4139 0.1504593      7.014229 
1 1 1 5  29 24 o 111.642 2.0331 125.815  3.1810  108.999 3.1047 114.285 2.6259 -5.285652      4.066243 
1 1 1 5  29 26 o 35.576  5.2888 13.436   2.6309  41.555  6.9143 29.597  8.0049 11.95849       10.57767 
1 1 1 5  29 28 o 76.885  2.7525 60.072   2.8247  76.881  4.5678 76.890  3.0725 -0.8247375E-02 5.505014 
1 1 1 5  29 30 o 39.739  4.3750 16.232   2.1537  42.215  7.5309 37.263  4.4552 4.952785       8.749984 
1 1 1 5  29 32 o 39.350  3.7879 16.342   2.0993  41.967  5.3250 36.733  5.3885 5.234379       7.575760 
1 1 1 5  29 34 o 42.720  4.3839 19.784   2.6186  44.460  6.6062 40.981  5.7648 3.479065       8.767866 
1 1 1 5  29 36 o 41.432  4.0709 18.976   2.3556  39.516  6.3016 43.348  5.1554 -3.831841      8.141792 
1 1 1 5  29 38 o 34.230  4.7863 13.970   2.2329  34.711  6.8664 33.749  6.6699 0.9621925      9.572648 
1 1 1 5  29 40 o 24.385  5.8099 8.3207   2.3658  25.067  7.5408 23.702  8.8407 1.364662       11.61983 
1 1 1 5  30 1  o 226.958 2.2975 516.310  7.3713  229.392 3.2845 224.523 3.2135 4.868622       4.595058 
1 1 1 5  30 3  o 195.728 2.0351 383.674  5.5833  196.526 3.0865 194.929 2.6532 1.596436       4.070144 
1 1 1 5  30 5  o 143.313 1.8286 205.870  3.7022  141.682 2.6589 144.944 2.5110 -3.261490      3.657135 
1 1 1 5  30 7  o 68.663  2.6151 47.547   2.5120  66.693  4.0210 70.634  3.3447 -3.940765      5.230212 
1 1 1 5  30 9  o 92.724  1.9497 86.179   2.5476  92.919  2.8861 92.529  2.6222 0.3894653      3.899428 
1 1 1 5  30 11 o 149.964 1.9017 225.799  4.0135  147.986 2.8476 151.941 2.5214 -3.954483      3.803486 
1 1 1 5  30 13 o 88.252  2.1469 77.455   2.6437  92.447  3.2462 84.057  2.8105 8.389290       4.293804 
1 1 1 5  30 15 o 135.534 1.9569 184.538  3.7131  134.533 2.9900 136.536 2.5253 -2.002701      3.913746 
1 1 1 5  30 17 o 97.867  1.9802 96.524   2.6832  96.068  3.1238 99.665  2.4345 -3.597420      3.960393 
1 1 1 5  30 19 o 55.004  3.1713 30.972   2.3225  52.885  5.3123 57.123  3.4651 -4.237385      6.342512 
1 1 1 5  30 21 o 21.187  5.5125 3.6770   2.0507  24.332  8.6918 18.042  6.7827 6.289961       11.02508 
1 1 1 5  30 23 o 28.633  5.3518 8.6994   2.3266  34.989  7.1814 22.278  7.9369 12.71033       10.70359 
1 1 1 5  30 25 o 24.892  5.5859 6.3078   2.1844  23.142  9.2131 26.642  6.3187 -3.499752      11.17171 
1 1 1 5  30 27 o 35.974  5.3836 14.058   2.4463  35.261  9.4165 36.687  5.2212 -1.426441      10.76717 
1 1 1 5  30 29 o 46.438  3.5774 22.664   2.1367  45.659  6.1530 47.216  3.6512 -1.556961      7.154798 
1 1 1 5  30 31 o 31.132  5.3957 11.029   2.2520  33.172  8.5942 29.093  6.5262 4.078852       10.79131 
1 1 1 5  30 33 f 54.490  3.1932 31.346   2.4545  51.506  4.5868 57.474  4.4438 -5.968060      6.386358 
1 1 1 5  30 35 o 43.943  3.7066 21.007   2.2968  41.435  5.3935 46.451  5.0859 -5.016415      7.413251 
1 1 1 5  30 37 o 29.293  5.6178 10.979   2.3429  28.742  7.1334 29.844  8.6807 -1.102505      11.23565 
1 1 1 5  30 39 o 15.844  5.0541 0.3814   2.3003  13.487  6.2325 18.202  7.9582 -4.714737      10.10826 
1 1 1 5  31 0  o 243.026 3.0751 591.894  14.941  243.026 3.0751 ?       ?      0.000000       0.000000 
1 1 1 5  31 2  o 262.216 2.3593 690.321  8.7470  258.108 3.3644 266.323 3.3085 -8.215179      4.718601 
1 1 1 5  31 4  o 243.832 2.3421 596.391  8.0669  247.686 3.3770 239.978 3.2460 7.708054       4.684116 
1 1 1 5  31 6  f 244.531 2.3083 599.924  7.9685  246.855 3.3625 242.207 3.1634 4.648514       4.616691 
1 1 1 5  31 8  o 28.343  4.8398 8.5095   2.0897  21.514  8.0022 35.173  5.4460 -13.65931      9.679530 
1 1 1 5  31 10 o 97.167  2.1908 94.553   2.9670  98.406  3.3740 95.928  2.7956 2.478706       4.381666 
1 1 1 5  31 12 o 74.873  2.4231 56.924   2.4894  72.013  3.9012 77.733  2.8749 -5.719185      4.846131 
1 1 1 5  31 14 o 54.662  3.2288 30.177   2.4885  57.803  4.4185 51.522  4.7093 6.280792       6.457624 
1 1 1 5  31 16 o 31.469  5.3003 10.590   2.3091  30.537  8.1921 32.401  6.7277 -1.863832      10.60061 
1 1 1 5  31 18 o 50.260  3.2032 25.645   2.2555  49.641  4.8878 50.879  4.1414 -1.238163      6.406338 
1 1 1 5  31 20 o 59.102  2.9180 35.297   2.2986  59.282  4.8468 58.922  3.2509 0.3602257      5.836093 
1 1 1 5  31 22 o 24.305  5.7597 5.5763   2.3225  29.240  8.8516 19.370  7.3718 9.869558       11.51932 
1 1 1 5  31 24 o 64.437  2.6901 41.482   2.2067  66.330  4.6205 62.544  2.7564 3.786331       5.380263 
1 1 1 5  31 26 o 21.436  5.8294 3.8228   2.4640  22.792  8.6797 20.080  7.7839 2.711384       11.65874 
1 1 1 5  31 28 o 19.249  5.4926 2.4245   1.9857  23.834  9.1431 14.664  6.0891 9.170577       10.98515 
1 1 1 5  31 30 o 18.801  5.7567 1.2605   2.3978  22.951  9.5614 14.652  6.4139 8.298740       11.51343 
1 1 1 5  31 32 o 23.265  5.6556 6.2681   2.2555  20.909  7.6809 25.621  8.3033 -4.712135      11.31117 
1 1 1 5  31 34 o 18.162  5.3185 2.0812   2.3193  16.803  7.5705 19.521  7.4721 -2.718040      10.63692 
1 1 1 5  31 36 o 16.572  5.0761 1.5718   2.0188  18.420  8.0059 14.724  6.2428 3.696422       10.15216 
1 1 1 5  31 38 o 12.889  4.3175 -2.8094  2.1071  12.146  5.8519 13.632  6.3496 -1.486209      8.634954 
1 1 1 5  32 1  o 59.083  3.1053 35.261   2.5855  55.793  4.5777 62.373  4.1971 -6.579964      6.210529 
1 1 1 5  32 3  o 140.018 2.0888 197.422  4.1122  135.916 3.1475 144.120 2.7468 -8.204697      4.177551 
1 1 1 5  32 5  o 180.252 2.1796 326.315  5.5521  179.969 3.0157 180.535 3.1477 -0.5657501     4.359154 
1 1 1 5  32 7  o 96.702  2.3117 94.001   3.1603  97.367  3.2133 96.036  3.3243 1.330421       4.623427 
1 1 1 5  32 9  o 61.676  3.1115 38.334   2.7103  64.038  4.3871 59.315  4.4135 4.722996       6.223018 
1 1 1 5  32 11 o 62.910  2.6967 39.926   2.3003  62.438  4.3973 63.382  3.1229 -0.9445915     5.393410 
1 1 1 5  32 13 o 75.744  2.3851 57.657   2.5476  76.564  3.5026 74.924  3.2384 1.640839       4.770236 
1 1 1 5  32 15 o 79.090  2.3196 63.095   2.5761  78.287  3.5070 79.893  3.0370 -1.605621      4.639227 
1 1 1 5  32 17 o 51.053  3.9270 27.418   2.3547  48.487  7.1111 53.620  3.3342 -5.133392      7.853937 
1 1 1 5  32 19 o 25.503  5.0353 6.9784   2.0157  21.013  8.1178 29.992  5.9598 -8.978609      10.07069 
1 1 1 5  32 21 o 70.068  2.5801 49.963   2.4732  69.111  4.1575 71.024  3.0566 -1.912949      5.160152 
1 1 1 5  32 23 f 26.265  6.0544 7.3452   2.4973  27.984  9.3338 24.545  7.7139 3.438999       12.10887 
1 1 1 5  32 25 o 27.693  5.7625 7.6936   2.1096  34.986  9.4498 20.399  6.5976 14.58690       11.52510 
1 1 1 5  32 27 o 22.991  6.1465 4.9578   2.3978  27.498  10.095 18.483  7.0142 9.015354       12.29294 
1 1 1 5  32 29 o 19.861  5.6535 2.5742   2.1844  25.321  9.4282 14.401  6.2417 10.91949       11.30705 
1 1 1 5  32 31 o 33.375  5.1323 12.580   2.1899  36.483  8.3949 30.267  5.9066 6.215637       10.26455 
1 1 1 5  32 33 o 29.065  6.3088 11.325   2.8238  29.376  9.3135 28.754  8.5125 0.6214924      12.61757 
1 1 1 5  32 35 o 16.948  5.3426 0.8565   2.6163  15.692  7.1814 18.203  7.9119 -2.511049      10.68511 
1 1 1 5  32 37 o 14.934  4.8100 -0.1835  2.2555  14.595  6.8039 15.273  6.8010 -0.6786928     9.620097 
1 1 1 5  33 0  o 63.163  4.2858 40.609   5.3634  63.163  4.2858 ?       ?      0.000000       0.000000 
1 1 1 5  33 2  o 44.390  3.8015 19.617   2.3429  48.115  5.7063 40.666  5.0244 7.449310       7.603053 
1 1 1 5  33 4  o 97.380  2.4895 95.764   3.3250  95.865  3.9963 98.895  2.9699 -3.029213      4.979020 
1 1 1 5  33 6  o 110.067 2.2805 121.835  3.5365  109.317 3.3877 110.817 3.0537 -1.500069      4.560905 
1 1 1 5  33 8  o 75.146  2.5513 56.267   2.6682  78.943  3.8823 71.348  3.3112 7.594856       5.102567 
1 1 1 5  33 10 o 65.797  3.0098 43.801   2.7331  65.701  4.7620 65.893  3.6822 -0.1923294     6.019539 
1 1 1 5  33 12 f 64.962  3.0988 44.441   2.4802  60.287  5.5073 69.636  2.8424 -9.348812      6.197588 
1 1 1 5  33 14 o 84.579  2.3345 71.389   2.6949  87.291  3.7305 81.868  2.8077 5.422554       4.669020 
1 1 1 5  33 16 o 24.689  5.8184 5.7616   2.2535  23.591  9.8178 25.786  6.2472 -2.195673      11.63685 
1 1 1 5  33 18 o 35.968  5.5677 13.052   2.4248  41.034  9.3810 30.902  5.9996 10.13232       11.13544 
1 1 1 5  33 20 o 20.652  6.0790 2.1092   2.6494  23.468  9.7492 17.835  7.2644 5.632711       12.15806 
1 1 1 5  33 22 o 19.283  5.3718 1.5659   2.3609  17.054  7.9241 21.512  7.2550 -4.457584      10.74364 
1 1 1 5  33 24 f 19.139  5.4693 2.4689   2.1283  19.966  8.6547 18.312  6.6894 1.654242       10.93861 
1 1 1 5  33 26 o 17.274  5.4687 -0.1544  2.4115  19.259  8.7603 15.289  6.5485 3.970451       10.93737 
1 1 1 5  33 28 o 29.733  5.4097 11.210   2.3280  23.254  9.8000 36.212  4.5844 -12.95805      10.81932 
1 1 1 5  33 30 o 32.846  5.3169 12.763   2.3440  35.936  8.1771 29.756  6.7979 6.179615       10.63378 
1 1 1 5  33 32 o 14.513  4.7618 -2.3331  2.3607  15.516  7.0665 13.510  6.3846 2.006413       9.523553 
1 1 1 5  33 34 o 16.968  5.1624 1.9556   2.2183  18.287  7.7221 15.649  6.8535 2.637636       10.32482 
1 1 1 5  34 1  o 146.139 1.8538 214.601  3.8310  145.069 2.6408 147.210 2.6024 -2.140884      3.707653 
1 1 1 5  34 3  o 137.526 1.8567 189.881  3.5937  138.668 2.7627 136.384 2.4813 2.283813       3.713419 
1 1 1 5  34 5  o 140.797 1.9409 199.366  3.8606  140.415 2.8193 141.179 2.6684 -0.7643585     3.881839 
1 1 1 5  34 7  o 92.896  2.0919 86.538   2.7218  94.936  3.1610 90.855  2.7408 4.080978       4.183808 
1 1 1 5  34 9  o 32.492  5.3203 11.862   2.4053  26.552  9.3111 38.432  5.1503 -11.87967      10.64059 
1 1 1 5  34 11 o 139.628 2.1509 196.557  4.2458  138.430 3.0903 140.825 2.9925 -2.394699      4.301746 
1 1 1 5  34 13 o 160.966 1.9856 261.020  4.4632  161.072 3.0524 160.861 2.5403 0.2111511      3.971175 
1 1 1 5  34 15 o 70.911  2.5507 51.203   2.4732  69.827  4.1148 71.996  3.0153 -2.168518      5.101393 
1 1 1 5  34 17 o 34.780  5.0044 12.886   2.3225  39.185  7.4388 30.376  6.6963 8.808390       10.00882 
1 1 1 5  34 19 o 37.006  5.6094 16.344   2.6172  30.846  10.171 43.166  4.7334 -12.31981      11.21876 
1 1 1 5  34 21 o 20.627  5.9696 2.8455   2.4398  24.777  9.7859 16.477  6.8394 8.299723       11.93910 
1 1 1 5  34 23 o 24.289  6.1687 6.1072   2.3155  25.569  10.427 23.008  6.5953 2.561329       12.33741 
1 1 1 5  34 25 o 26.665  5.6322 7.8802   2.0840  31.119  9.0832 22.211  6.6618 8.907629       11.26432 
1 1 1 5  34 27 o 17.278  5.4513 0.3405   2.2986  20.914  9.0288 13.643  6.1112 7.270593       10.90254 
1 1 1 5  34 29 o 14.397  4.7399 -4.4280  2.4946  13.601  6.7612 15.192  6.6448 -1.591299      9.479822 
1 1 1 5  34 31 o 27.274  6.3745 10.190   2.6248  28.528  10.447 26.019  7.3080 2.508522       12.74896 
1 1 1 5  34 33 f 14.669  4.8514 -1.5995  2.4836  15.030  7.0304 14.308  6.6871 0.7223902      9.702788 
1 1 1 5  35 0  o 74.080  3.5513 55.550   5.2357  74.080  3.5513 ?       ?      0.000000       0.000000 
1 1 1 5  35 2  o 90.622  2.3915 82.942   3.0648  91.009  3.3676 90.234  3.3965 0.7750473      4.782984 
1 1 1 5  35 4  f 55.336  3.5763 31.972   2.6832  50.997  5.8846 59.674  4.0660 -8.676819      7.152649 
1 1 1 5  35 6  o 20.572  5.5062 2.7590   2.3440  18.282  8.0628 22.863  7.5010 -4.581135      11.01245 
1 1 1 5  35 8  o 55.141  3.2069 31.061   2.4754  54.707  4.9020 55.575  4.1361 -0.8679466     6.413780 
1 1 1 5  35 10 o 95.702  2.3588 92.680   3.1912  96.479  3.3752 94.925  3.2960 1.554588       4.717558 
1 1 1 5  35 12 o 96.393  2.2437 93.270   2.9358  98.637  3.6250 94.149  2.6449 4.488342       4.487367 
1 1 1 5  35 14 f 24.431  5.8629 6.0944   2.2902  26.350  9.2161 22.512  7.2496 3.837929       11.72573 
1 1 1 5  35 16 f 58.679  3.7843 37.441   2.8247  53.076  6.6165 64.282  3.6752 -11.20539      7.568675 
1 1 1 5  35 18 o 32.344  5.6315 12.791   2.6494  25.140  10.008 39.547  5.1666 -14.40672      11.26309 
1 1 1 5  35 20 o 50.445  3.8031 26.531   2.5297  52.464  6.3286 48.425  4.2193 4.039070       7.606145 
1 1 1 5  35 22 o 31.781  5.7564 11.487   2.3547  33.767  9.6976 29.795  6.2050 3.972403       11.51283 
1 1 1 5  35 24 o 20.272  6.0183 2.7664   2.8551  20.479  9.1071 20.065  7.8703 0.4142056      12.03661 
1 1 1 5  35 26 f 48.818  4.0591 25.342   2.3978  50.796  7.1649 46.840  3.8168 3.955734       8.118118 
1 1 1 5  35 28 o 36.056  5.1773 16.220   2.4312  31.392  9.0576 40.720  5.0177 -9.328220      10.35461 
1 1 1 5  35 30 o 21.190  5.9958 5.5678   2.6051  22.994  9.2468 19.386  7.6352 3.607529       11.99168 
1 1 1 5  35 32 o 15.064  4.9440 -1.8715  2.6157  14.414  7.0629 15.713  6.9201 -1.299561      9.887994 
1 1 1 5  36 1  o 116.473 2.1124 136.990  3.4772  114.999 2.9427 117.947 3.0315 -2.948723      4.224898 
1 1 1 5  36 3  o 97.605  2.4049 96.461   3.3153  99.483  3.4658 95.726  3.3351 3.757065       4.809838 
1 1 1 5  36 5  o 51.346  3.7450 27.268   2.7043  51.181  5.6140 51.511  4.9582 -0.3298836     7.490047 
1 1 1 5  36 7  o 34.304  6.2037 13.274   2.9573  34.535  9.7453 34.073  7.6794 0.4618187      12.40740 
1 1 1 5  36 9  o 34.889  6.1565 13.870   3.0299  34.203  9.0180 35.575  8.3837 -1.371952      12.31301 
1 1 1 5  36 11 o 45.127  4.8333 22.004   2.7505  44.512  8.3412 45.742  4.8855 -1.230621      9.666677 
1 1 1 5  36 13 o 75.902  2.6893 58.398   2.6832  77.978  4.5035 73.826  2.9406 4.152069       5.378570 
1 1 1 5  36 15 o 72.727  2.9036 55.871   2.8037  67.847  4.8937 77.607  3.1264 -9.759964      5.807110 
1 1 1 5  36 17 o 33.664  5.3468 12.800   2.3576  36.063  8.6061 31.266  6.3475 4.796604       10.69370 
1 1 1 5  36 19 o 60.936  2.8814 38.640   2.4247  60.141  4.5652 61.730  3.5168 -1.588287      5.762722 
1 1 1 5  36 21 o 31.201  5.8480 12.114   2.5480  29.150  9.8079 33.253  6.3718 -4.102600      11.69593 
1 1 1 5  36 23 o 42.943  4.4654 20.889   2.5193  41.770  7.4528 44.116  4.9210 -2.346004      8.930814 
1 1 1 5  36 25 o 27.982  5.8892 10.088   2.4294  26.958  9.6672 29.006  6.7286 -2.047689      11.77832 
1 1 1 5  36 27 o 23.923  6.1398 7.5449   2.9779  20.271  9.0216 27.575  8.3307 -7.304068      12.27966 
1 1 1 5  36 29 f 17.364  5.5702 1.4473   2.6392  19.155  8.8373 15.572  6.7832 3.582821       11.14048 
1 1 1 5  37 0  o 33.880  9.3813 14.430   5.4911  33.880  9.3813 ?       ?      0.000000       0.000000 
1 1 1 5  37 2  o 61.672  3.5285 39.965   2.9955  51.939  5.5320 71.404  4.3817 -19.46461      7.057024 
1 1 1 5  37 4  o 66.561  3.6404 46.486   3.4133  64.698  5.4279 68.423  4.8525 -3.724548      7.280725 
1 1 1 5  37 6  o 64.359  3.2367 43.163   2.9371  61.482  4.7772 67.236  4.3684 -5.754169      6.473358 
1 1 1 5  37 8  o 20.948  6.0502 2.3597   2.9149  17.075  7.6359 24.821  9.3867 -7.746326      12.10031 
1 1 1 5  37 10 o 23.388  5.4790 6.0553   2.1156  22.784  8.1561 23.992  7.3182 -1.207628      10.95805 
1 1 1 5  37 12 o 22.400  5.7671 5.2357   2.3225  22.892  8.7619 21.909  7.5010 0.9831142      11.53411 
1 1 1 5  37 14 o 18.231  5.4189 1.1002   2.4754  16.370  7.4485 20.093  7.8725 -3.722330      10.83772 
1 1 1 5  37 16 o 22.517  6.1104 5.1808   2.6921  22.925  9.1225 22.108  8.1320 0.8173523      12.22084 
1 1 1 5  37 18 o 47.702  3.7604 23.914   2.3762  50.526  6.1922 44.879  4.2682 5.647079       7.520747 
1 1 1 5  37 20 o 23.321  6.1837 6.0019   2.9149  20.473  8.7592 26.170  8.7310 -5.696465      12.36747 
1 1 1 5  37 22 o 21.326  5.9655 4.8797   2.6682  20.968  8.7572 21.683  8.1031 -0.7156982     11.93101 
1 1 1 5  37 24 o 19.165  5.9005 2.3470   3.0299  18.170  8.1822 20.160  8.5039 -1.989677      11.80104 
1 1 1 5  37 26 o 25.691  5.4709 8.9787   2.5834  19.433  8.7131 31.948  6.6185 -12.51460      10.94173 
1 1 1 5  37 28 o 18.501  5.9795 2.2454   3.3521  20.461  9.2421 16.541  7.5896 3.919542       11.95906 
1 1 1 5  38 1  o 37.911  5.2295 16.263   2.6832  41.628  7.4812 34.194  7.3092 7.433567       10.45910 
1 1 1 5  38 3  o 70.211  3.1222 51.103   2.8847  70.535  5.2504 69.887  3.3804 0.6473618      6.244471 
1 1 1 5  38 5  o 72.423  2.6658 54.250   2.6952  71.351  4.1164 73.494  3.3882 -2.143532      5.331540 
1 1 1 5  38 7  f 37.507  4.9570 15.951   2.5397  39.094  6.0430 35.920  7.8595 3.174011       9.914088 
1 1 1 5  38 9  o 49.088  3.9961 26.006   2.6502  47.583  6.5752 50.594  4.5433 -3.010689      7.992174 
1 1 1 5  38 11 o 41.128  6.2778 22.191   3.0602  33.075  11.704 49.180  4.5440 -16.10469      12.55552 
1 1 1 5  38 13 o 20.780  5.7792 4.1640   2.4053  21.518  8.8526 20.042  7.4315 1.475946       11.55838 
1 1 1 5  38 15 o 26.892  6.2230 8.8942   2.6859  25.698  10.008 28.085  7.3986 -2.387306      12.44596 
1 1 1 5  38 17 o 31.118  6.0019 12.404   2.6643  29.114  9.9000 33.121  6.7882 -4.006641      12.00377 
1 1 1 5  38 19 o 29.457  6.0534 11.365   2.6253  28.440  9.7149 30.474  7.2245 -2.034327      12.10676 
1 1 1 5  38 21 o 16.870  5.5641 -1.0519  2.8200  19.891  9.0695 13.849  6.4485 6.041092       11.12829 
1 1 1 5  38 23 o 16.679  5.3116 0.7024   2.3944  19.754  8.6098 13.603  6.2228 6.151467       10.62317 
1 1 1 5  38 25 o 19.074  6.0592 3.3227   2.8640  22.388  9.9411 15.760  6.9304 6.627713       12.11844 
1 1 1 5  39 0  o 70.914  3.8964 51.719   5.4911  70.914  3.8964 ?       ?      0.000000       0.000000 
1 1 1 5  39 2  o 34.947  5.9458 14.912   2.8880  34.881  7.8743 35.013  8.9110 -0.1319809     11.89161 
1 1 1 5  39 4  o 32.681  5.8060 13.222   2.6832  36.565  5.9371 28.798  9.9795 7.767820       11.61199 
1 1 1 5  39 6  o 23.043  5.7643 5.9430   2.4754  20.050  8.2702 26.036  8.0320 -5.986057      11.52859 
1 1 1 5  39 8  o 45.856  4.4042 23.412   2.8324  44.736  6.7081 46.976  5.7087 -2.239681      8.808391 
1 1 1 5  39 10 o 63.043  3.8864 43.458   3.1434  60.859  6.7146 65.227  3.9156 -4.368626      7.772871 
1 1 1 5  39 12 o 37.650  5.2186 17.263   2.6033  32.578  8.9435 42.721  5.3805 -10.14348      10.43727 
1 1 1 5  39 14 o 22.908  5.6761 5.3492   2.7016  18.248  8.4113 27.567  7.6239 -9.319103      11.35225 
1 1 1 5  39 16 o 38.757  5.9763 19.617   3.1331  33.999  10.241 43.515  6.1627 -9.516029      11.95269 
1 1 1 5  39 18 o 25.760  6.0718 9.0987   2.6072  24.521  9.2867 27.000  7.8247 -2.479496      12.14365 
1 1 1 5  39 20 o 21.721  6.3130 5.9493   2.9226  23.903  9.8745 19.539  7.8683 4.363775       12.62598 
1 1 1 5  39 22 o 20.974  5.6536 4.4125   2.8909  15.997  7.6864 25.951  8.2927 -9.954714      11.30710 
1 1 1 5  40 1  o 35.276  6.4042 16.444   3.2416  39.259  7.4265 31.294  10.436 7.965019       12.80831 
1 1 1 5  40 3  o 38.347  5.1930 17.474   2.7441  41.236  6.5033 35.458  8.0978 5.778439       10.38592 
1 1 1 5  40 5  o 50.860  4.2618 28.920   3.0635  50.797  5.9078 50.923  6.1439 -0.1262779     8.523518 
1 1 1 5  40 7  o 57.187  4.3226 36.993   3.3489  54.881  7.0970 59.494  4.9369 -4.613041      8.645236 
1 1 1 5  40 9  o 28.300  6.2123 10.586   2.7218  29.055  9.2163 27.544  8.3326 1.511372       12.42470 
1 1 1 5  40 11 o 42.436  5.0961 21.594   2.9660  46.720  6.5600 38.153  7.8004 8.566887       10.19211 
1 1 1 5  40 13 o 41.914  5.2433 21.769   2.4115  37.787  9.7411 46.041  3.8831 -8.254028      10.48654 
1 1 1 5  40 15 o 30.135  6.2744 12.903   2.7825  30.615  9.7947 29.655  7.8444 0.9608612      12.54872 
1 1 1 5  40 17 o 29.070  6.5580 12.004   2.7243  32.246  10.778 25.893  7.4747 6.352547       13.11604 
1 1 1 5  40 19 o 25.339  6.2952 9.9291   2.7875  24.291  9.8227 26.387  7.8759 -2.095520      12.59032 
1 1 1 5  41 0  o 17.700  10.350 5.4911   6.0019  17.700  10.350 ?       ?      0.000000       0.000000 
1 1 1 5  41 2  o 56.982  3.9174 36.332   3.1169  54.739  6.0655 59.225  4.9592 -4.486256      7.834831 
1 1 1 5  41 4  o 56.962  4.3548 36.377   3.3957  60.777  6.8287 53.148  5.4062 7.628456       8.709664 
1 1 1 5  41 6  o 19.977  6.0078 3.2302   3.0326  22.016  8.9222 17.937  8.0480 4.079498       12.01570 
1 1 1 5  41 8  o 20.838  5.5809 4.6988   2.5109  17.908  8.1640 23.769  7.6114 -5.860817      11.16177 
1 1 1 5  41 10 o 20.789  5.8720 5.3043   2.6039  20.831  8.5069 20.747  8.0966 0.8332443E-01  11.74400 
1 1 1 5  41 12 o 27.961  6.4948 11.365   2.7714  29.879  10.417 26.043  7.7605 3.836718       12.98960 
1 1 1 5  41 14 o 14.056  4.7797 -3.2085  2.3944  17.245  7.9486 10.867  5.3106 6.378224       9.559396 
1 1 1 5  42 1  o 24.724  6.3980 9.0668   2.9110  25.133  8.5206 24.315  9.5465 0.8183441      12.79596 
1 1 1 5  42 3  o 18.116  5.7360 1.8160   3.0164  18.196  8.2601 18.035  7.9610 0.1608353      11.47198 
1 1 1 5  42 5  o 37.134  5.8773 19.255   3.0326  41.670  7.4727 32.597  9.0736 9.072926       11.75459 
1 1 1 5  42 7  o 33.721  5.9881 16.212   2.8037  32.539  9.5723 34.903  7.1974 -2.363720      11.97628 
1 1 1 5  42 9  o 22.482  6.0099 7.0935   2.6437  26.419  9.2184 18.545  7.7132 7.874630       12.01970 
1 1 1 6  1  1  o 887.377 7.7182 7875.22  96.715  875.437 10.634 899.316 11.189 -23.87903      15.43649 
1 1 1 6  1  3  o 874.595 7.2892 7655.61  90.157  872.325 10.321 876.864 10.296 -4.538879      14.57835 
1 1 1 6  1  5  o 742.232 5.7072 5515.76  58.600  740.075 8.9899 744.390 7.0336 -4.315247      11.41448 
1 1 1 6  1  7  f 763.393 4.9078 5815.47  52.472  751.498 6.4063 775.288 7.4368 -23.79016      9.815667 
1 1 1 6  1  9  o 298.311 2.1302 889.662  8.8364  297.769 2.6804 298.852 3.3116 -1.083344      4.260415 
1 1 1 6  1  11 o 327.074 2.3070 1069.51  10.445  326.458 2.8556 327.690 3.6242 -1.232819      4.614007 
1 1 1 6  1  13 o 481.862 3.3243 2323.47  22.508  482.310 4.3819 481.414 5.0002 0.8959351      6.648558 
1 1 1 6  1  15 o 758.992 4.4818 5760.97  48.082  747.860 6.2752 770.125 6.4006 -22.26422      8.963612 
1 1 1 6  1  17 o 378.143 2.5728 1429.55  13.754  372.082 3.6208 384.204 3.6562 -12.12122      5.145663 
1 1 1 6  1  19 o 222.900 1.7273 498.276  5.3272  225.551 2.1231 220.248 2.7251 5.302902       3.454537 
1 1 1 6  1  21 o 299.193 2.1127 896.174  8.6680  300.224 2.5308 298.162 3.3835 2.061401       4.225328 
1 1 1 6  1  23 o 345.072 2.2690 1188.11  10.843  341.494 2.8233 348.650 3.5528 -7.156616      4.538033 
1 1 1 6  1  25 o 179.905 1.5596 323.268  3.8331  179.094 1.8539 180.717 2.5086 -1.623260      3.119262 
1 1 1 6  1  27 o 180.360 1.5634 325.699  3.9083  181.143 1.9387 179.576 2.4534 1.567474       3.126901 
1 1 1 6  1  29 o 384.106 3.0718 1470.76  15.903  379.436 3.5338 388.776 5.0256 -9.340485      6.143641 
1 1 1 6  1  31 o 74.718  1.6369 55.692   1.7027  73.654  2.0805 75.782  2.5277 -2.127678      3.273791 
1 1 1 6  1  33 o 138.969 1.4562 193.133  2.7979  138.747 1.7948 139.191 2.2936 -0.4442291     2.912363 
1 1 1 6  1  35 o 112.627 1.4775 127.202  2.2951  113.599 1.7986 111.654 2.3446 1.944328       2.955044 
1 1 1 6  1  37 o 74.605  1.6062 55.784   1.6914  76.104  2.1814 73.106  2.3582 2.998520       3.212382 
1 1 1 6  1  39 o 117.740 1.6022 138.523  2.6033  116.838 1.9674 118.643 2.5294 -1.804962      3.204449 
1 1 1 6  1  41 o 18.187  4.7276 2.2516   1.5727  19.005  5.6432 17.368  7.5865 1.636898       9.455150 
1 1 1 6  1  43 o 22.558  4.8010 5.0744   1.5727  23.926  4.9693 21.191  8.2162 2.735254       9.602060 
1 1 1 6  1  45 o 37.674  3.6577 14.186   1.6882  36.627  3.4865 38.721  6.4311 -2.093246      7.315402 
1 1 1 6  1  47 o 59.774  2.5414 35.931   1.8978  59.053  2.4869 60.496  4.4329 -1.443378      5.082802 
1 1 1 6  1  49 o 64.059  3.1300 41.941   2.2309  63.529  2.5127 64.590  5.7336 -1.061764      6.259970 
1 1 1 6  1  51 o 18.207  5.0267 1.8364   2.0288  20.123  6.6000 16.290  7.5837 3.832979       10.05348 
1 1 1 6  1  53 o 28.715  4.9127 9.6126   1.8475  27.202  5.5906 30.229  8.0799 -3.027006      9.825427 
1 1 1 6  1  55 o 25.956  5.3261 8.4592   1.9832  20.650  6.7361 31.263  8.2519 -10.61297      10.65220 
1 1 1 6  2  2  o 459.741 3.0940 2103.36  19.724  469.600 4.8133 449.883 3.8888 19.71759       6.187906 
1 1 1 6  2  4  o 810.541 6.9655 6574.14  79.836  804.537 9.8172 816.545 9.8840 -12.00751      13.93091 
1 1 1 6  2  6  o 446.362 2.9146 1989.18  17.825  443.669 3.4971 449.056 4.6638 -5.387299      5.829291 
1 1 1 6  2  8  o 402.269 2.6094 1618.12  14.842  397.207 3.6811 407.332 3.6994 -10.12460      5.218828 
1 1 1 6  2  10 o 574.073 3.5667 3297.03  28.954  574.994 5.0748 573.152 5.0131 1.842285       7.133341 
1 1 1 6  2  12 o 271.222 1.9226 735.509  7.3713  273.811 2.7517 268.634 2.6859 5.177063       3.845188 
1 1 1 6  2  14 o 497.656 3.1532 2476.73  22.168  500.492 4.5672 494.819 4.3486 5.672943       6.306302 
1 1 1 6  2  16 f 386.091 2.6537 1491.21  14.317  386.543 3.4028 385.639 4.0730 0.9040222      5.307401 
1 1 1 6  2  18 o 509.739 3.2462 2598.96  23.401  510.503 4.5902 508.975 4.5914 1.527832       6.492402 
1 1 1 6  2  20 o 265.138 1.9635 703.155  7.2092  265.298 2.4308 264.978 3.0844 0.3197937      3.927099 
1 1 1 6  2  22 o 431.499 2.7951 1859.34  16.591  428.832 3.3948 434.165 4.4414 -5.333252      5.590190 
1 1 1 6  2  24 o 227.465 1.7345 517.425  5.4077  227.346 2.0783 227.585 2.7775 -0.2398987     3.468989 
1 1 1 6  2  26 o 217.835 1.7462 472.674  5.1922  214.927 2.0796 220.742 2.8058 -5.814941      3.492400 
1 1 1 6  2  28 o 148.783 1.5231 221.165  3.1606  147.886 1.9429 149.680 2.3462 -1.794373      3.046210 
1 1 1 6  2  30 o 138.144 1.8236 191.973  3.3507  140.030 2.0063 136.258 3.0459 3.771698       3.647289 
1 1 1 6  2  32 o 40.145  2.3572 16.716   1.2642  44.761  2.5676 35.528  3.9538 9.233219       4.714387 
1 1 1 6  2  34 o 67.643  1.7908 46.134   1.6770  69.914  2.1919 65.372  2.8325 4.541229       3.581516 
1 1 1 6  2  36 o 92.652  1.5779 84.847   1.9454  89.810  1.7774 95.493  2.6077 -5.682716      3.155807 
1 1 1 6  2  38 o 116.397 1.5701 135.714  2.4966  116.689 1.8604 116.106 2.5297 0.5823059      3.140146 
1 1 1 6  2  40 o 16.116  4.0927 1.2711   1.3720  11.592  5.2722 20.640  6.2612 -9.048269      8.185302 
1 1 1 6  2  42 o 41.024  2.9822 16.833   1.6861  39.829  3.6872 42.220  4.6882 -2.391277      5.964474 
1 1 1 6  2  44 o 63.232  1.9283 40.141   1.7216  62.788  2.6440 63.676  2.8077 -0.8881226     3.856627 
1 1 1 6  2  46 o 117.356 2.0662 138.971  3.1127  117.845 2.1131 116.867 3.5513 0.9787064      4.132405 
1 1 1 6  2  48 o 39.967  4.4068 16.891   1.9857  40.382  3.6366 39.552  8.0284 0.8300323      8.813626 
1 1 1 6  2  50 o 20.985  5.3869 4.4185   1.8978  19.028  6.4611 22.942  8.6214 -3.913242      10.77375 
1 1 1 6  2  52 o 19.128  5.3896 3.1080   2.1044  18.650  6.8210 19.607  8.3465 -0.9567242     10.77920 
1 1 1 6  2  54 o 23.775  5.2866 7.0874   1.9155  23.895  6.3164 23.655  8.4791 0.2392178      10.57320 
1 1 1 6  3  3  o 497.627 3.3715 2478.27  23.545  499.744 4.4079 495.510 5.1028 4.233765       6.743012 
1 1 1 6  3  5  o 354.071 3.6089 1251.83  18.012  360.351 5.2980 347.791 4.9018 12.56000       7.217782 
1 1 1 6  3  7  o 251.525 2.0821 632.290  7.4017  257.579 2.9499 245.471 2.9393 12.10753       4.164261 
1 1 1 6  3  9  o 796.400 7.6622 6267.59  70.296  810.906 13.858 781.894 6.5411 29.01233       15.32432 
1 1 1 6  3  11 o 448.959 2.9164 2016.41  18.516  449.202 4.0937 448.716 4.1550 0.4858093      5.832893 
1 1 1 6  3  13 o 299.030 2.4163 893.957  10.202  301.365 3.5171 296.694 3.3142 4.670166       4.832543 
1 1 1 6  3  15 f 355.958 2.3212 1267.24  11.685  354.944 3.2920 356.971 3.2733 -2.026947      4.642338 
1 1 1 6  3  17 o 522.327 3.2330 2729.04  23.880  524.919 4.5371 519.735 4.6069 5.183777       6.466026 
1 1 1 6  3  19 o 237.342 1.8548 563.232  6.2239  241.619 2.6162 233.065 2.6300 8.554306       3.709633 
1 1 1 6  3  21 o 210.266 1.6546 441.998  4.8092  209.950 2.0376 210.583 2.6076 -0.6325226     3.309296 
1 1 1 6  3  23 o 104.473 1.3855 109.292  2.0412  106.123 1.8652 102.822 2.0492 3.301018       2.770954 
1 1 1 6  3  25 o 229.281 1.6921 524.477  5.3769  226.809 2.1114 231.754 2.6449 -4.945206      3.384280 
1 1 1 6  3  27 o 463.622 3.0332 2144.73  19.293  458.591 3.6618 468.653 4.8366 -10.06244      6.066423 
1 1 1 6  3  29 o 52.263  1.9847 27.134   1.4575  48.723  2.7520 55.804  2.8605 -7.080666      3.969385 
1 1 1 6  3  31 o 60.956  1.8980 37.623   1.5554  63.005  2.1282 58.906  3.1434 4.098839       3.796057 
1 1 1 6  3  33 o 201.313 1.8084 402.552  4.8575  197.568 2.0360 205.058 2.9892 -7.490128      3.616758 
1 1 1 6  3  35 o 142.674 1.4339 203.839  2.8378  143.176 1.7838 142.172 2.2455 1.003311       2.867835 
1 1 1 6  3  37 o 111.294 1.5707 123.848  2.4247  110.734 1.9605 111.854 2.4546 -1.120178      3.141430 
1 1 1 6  3  39 o 119.645 1.4739 143.460  2.4885  121.543 1.9963 117.747 2.1691 3.795876       2.947875 
1 1 1 6  3  41 o 78.075  1.7819 61.493   1.9344  80.625  2.2174 75.524  2.7899 5.101105       3.563800 
1 1 1 6  3  43 o 114.064 1.6352 130.777  2.5930  115.574 2.0441 112.553 2.5528 3.020706       3.270352 
1 1 1 6  3  45 o 53.446  2.2434 28.824   1.6914  54.827  3.0279 52.065  3.3112 2.762756       4.486884 
1 1 1 6  3  47 o 18.362  5.0768 2.3369   1.8964  16.663  6.7167 20.062  7.6144 -3.399740      10.15351 
1 1 1 6  3  49 o 40.515  3.3500 17.014   1.8815  39.259  4.2286 41.772  5.1971 -2.512482      6.700083 
1 1 1 6  3  51 o 44.437  3.4835 20.722   1.9136  43.970  3.3399 44.905  6.1142 -0.9352989     6.966955 
1 1 1 6  3  53 o 46.801  5.1292 23.513   2.4393  43.518  3.8148 50.083  9.5227 -6.565315      10.25840 
1 1 1 6  3  55 o 21.419  6.1056 5.4050   2.1150  17.315  6.2801 25.522  10.473 -8.207060      12.21123 
1 1 1 6  4  2  o 1005.99 8.6749 10128.25 123.344 995.076 12.089 1016.90 12.445 -21.82129      17.34986 
1 1 1 6  4  4  o 1235.74 20.063 15325.90 495.863 1235.74 20.063 ?       ?      ?              ?        
1 1 1 6  4  6  o 213.943 2.6887 460.429  7.5694  216.800 2.8862 211.086 4.5373 5.714264       5.377480 
1 1 1 6  4  8  o 777.479 6.1272 6058.91  65.683  773.857 9.7196 781.100 7.4633 -7.242615      12.25442 
1 1 1 6  4  10 o 411.433 2.7714 1692.85  16.117  401.302 3.9459 421.565 3.8925 -20.26321      5.542733 
1 1 1 6  4  12 o 448.920 2.9368 2015.88  18.639  451.043 4.2044 446.797 4.1014 4.246033       5.873557 
1 1 1 6  4  14 f 544.087 3.3778 2961.51  25.987  539.123 4.8203 549.051 4.7331 -9.928101      6.755527 
1 1 1 6  4  16 o 602.725 4.7572 3608.33  39.503  618.940 7.4895 586.509 5.8678 32.43115       9.514401 
1 1 1 6  4  18 o 783.149 4.5687 6135.75  50.597  778.265 6.4403 788.034 6.4820 -9.768188      9.137493 
1 1 1 6  4  20 o 172.747 1.4783 298.471  3.6005  172.525 2.1836 172.969 1.9934 -0.4446106     2.956594 
1 1 1 6  4  22 f 361.525 2.4969 1308.93  12.424  363.146 3.0242 359.905 3.9740 3.240936       4.993822 
1 1 1 6  4  24 f 214.300 1.6558 460.900  4.9402  218.028 2.0793 210.572 2.5774 7.455765       3.311549 
1 1 1 6  4  26 o 261.847 1.9352 685.371  7.0150  261.053 2.3970 262.641 3.0389 -1.587769      3.870420 
1 1 1 6  4  28 o 117.223 1.4473 137.611  2.3906  115.723 2.1518 118.722 1.9361 -2.998291      2.894649 
1 1 1 6  4  30 o 189.855 2.1843 360.189  5.4904  189.181 2.3963 190.529 3.6528 -1.348511      4.368690 
1 1 1 6  4  32 o 75.541  1.4591 57.601   1.5085  77.953  1.7201 73.128  2.3575 4.825752       2.918272 
1 1 1 6  4  34 o 198.011 1.7359 393.688  4.7731  201.073 2.1593 194.948 2.7185 6.125580       3.471706 
1 1 1 6  4  36 o 40.978  2.5241 17.055   1.4359  44.875  3.1303 37.080  3.9605 7.795311       5.048197 
1 1 1 6  4  38 o 41.061  2.7994 16.771   1.6125  38.431  3.8213 43.692  4.0919 -5.261143      5.598728 
1 1 1 6  4  40 o 48.496  2.3776 23.809   1.5554  49.711  2.6973 47.282  3.9162 2.428398       4.755230 
1 1 1 6  4  42 o 55.423  2.4353 31.070   1.8571  56.726  2.9265 54.120  3.8933 2.606152       4.870595 
1 1 1 6  4  44 o 46.766  2.5610 21.873   1.6625  45.045  3.2602 48.488  3.9505 -3.443302      5.122076 
1 1 1 6  4  46 o 42.300  2.9463 18.229   1.7507  43.018  3.8591 41.583  4.4530 1.435413       5.892516 
1 1 1 6  4  48 o 87.222  2.3279 77.660   2.7165  88.531  2.5964 85.912  3.8647 2.619011       4.655841 
1 1 1 6  4  50 o 43.273  3.2726 19.693   1.8590  43.862  3.4937 42.685  5.5347 1.177616       6.545154 
1 1 1 6  4  52 o 39.208  4.1716 17.629   2.0374  43.312  3.9804 35.104  7.3324 8.207478       8.343123 
1 1 1 6  4  54 o 27.949  5.6191 10.446   2.2986  29.320  6.6800 26.579  9.0374 2.740652       11.23823 
1 1 1 6  5  1  o 535.510 3.8497 2869.00  29.145  531.854 5.5344 539.166 5.3528 -7.311829      7.699498 
1 1 1 6  5  3  f 379.594 2.6009 1435.46  13.829  370.507 3.4122 388.681 3.9262 -18.17368      5.201712 
1 1 1 6  5  5  o 1005.03 8.3355 10117.80 118.474 1005.12 11.797 1004.94 11.780 0.1814575      16.67094 
1 1 1 6  5  7  o 586.834 3.9521 3453.83  32.551  597.551 5.1503 576.116 5.9959 21.43518       7.904193 
1 1 1 6  5  9  o 405.938 2.8425 1641.78  16.086  397.781 3.6437 414.095 4.3637 -16.31366      5.684908 
1 1 1 6  5  11 o 234.572 1.7517 550.342  5.8097  234.286 2.5073 234.858 2.4468 -0.5724335     3.503345 
1 1 1 6  5  13 o 314.581 2.1744 989.765  9.6732  312.450 3.0857 316.712 3.0644 -4.262085      4.348823 
1 1 1 6  5  15 o 984.643 6.1547 9721.63  85.471  1013.40 8.2916 955.888 9.0977 57.50922       12.30935 
1 1 1 6  5  17 o 649.907 3.9072 4222.25  35.885  661.090 5.5922 638.723 5.4581 22.36700       7.814332 
1 1 1 6  5  19 o 270.757 1.9385 732.546  7.3621  272.299 2.9311 269.215 2.5378 3.084900       3.877034 
1 1 1 6  5  21 o 251.166 1.7797 630.867  6.3206  247.875 2.5244 254.458 2.5093 -6.583527      3.559359 
1 1 1 6  5  23 o 161.841 1.4075 262.987  3.1606  164.762 1.7439 158.919 2.2098 5.843048       2.815017 
1 1 1 6  5  25 o 345.512 2.3834 1196.92  11.430  348.938 2.9644 342.086 3.7330 6.851929       4.766837 
1 1 1 6  5  27 o 177.426 1.5965 316.581  3.9083  181.283 1.9372 173.570 2.5383 7.712234       3.193036 
1 1 1 6  5  29 o 259.824 2.1482 674.606  7.7519  258.162 2.6959 261.486 3.3453 -3.324371      4.296369 
1 1 1 6  5  31 o 70.972  1.7824 51.066   1.6388  72.961  1.8378 68.983  3.0545 3.977783       3.564723 
1 1 1 6  5  33 o 47.750  2.4219 23.450   1.5116  50.770  2.5153 44.730  4.1396 6.039951       4.843885 
1 1 1 6  5  35 o 52.301  1.9221 27.264   1.3583  51.641  2.2256 52.962  3.1346 -1.320621      3.844289 
1 1 1 6  5  37 o 138.220 1.5275 189.880  2.7983  135.893 1.6915 140.547 2.5441 -4.653595      3.055073 
1 1 1 6  5  39 o 64.610  1.8169 41.822   1.6601  64.660  2.5675 64.561  2.5714 0.9883118E-01  3.633715 
1 1 1 6  5  41 o 24.765  4.3742 6.3850   1.5085  22.839  5.8461 26.692  6.5083 -3.852947      8.748426 
1 1 1 6  5  43 o 44.673  3.1737 19.739   1.7585  43.227  3.1019 46.119  5.5379 -2.891281      6.347476 
1 1 1 6  5  45 o 48.048  2.4436 23.209   1.5524  47.676  2.6785 48.420  4.0879 -0.7433624     4.887271 
1 1 1 6  5  47 o 63.417  2.2847 40.848   1.9500  64.058  2.5916 62.776  3.7633 1.282295       4.569357 
1 1 1 6  5  49 o 46.973  3.3290 23.150   2.0318  47.892  3.4664 46.054  5.6844 1.838505       6.657937 
1 1 1 6  5  51 o 22.993  5.5699 6.0439   2.2042  24.392  6.9760 21.594  8.6850 2.797537       11.13975 
1 1 1 6  5  53 o 28.987  4.5311 10.313   1.8571  35.212  4.7146 22.761  7.7392 12.45098       9.062136 
1 1 1 6  5  55 o 13.754  4.4401 -0.6050  1.8841  13.381  5.9414 14.127  6.5999 -0.7457361     8.880273 
1 1 1 6  6  0  o 772.509 7.5313 5971.29  116.336 772.509 7.5313 ?       ?      0.000000       0.000000 
1 1 1 6  6  2  o 227.934 1.8811 520.707  5.9041  226.054 2.9940 229.813 2.2783 -3.758469      3.762278 
1 1 1 6  6  4  o 747.496 4.8504 5586.86  50.904  743.499 6.3808 751.493 7.3070 -7.993713      9.700826 
1 1 1 6  6  6  o 522.870 3.2812 2734.56  24.259  526.342 4.6704 519.398 4.6099 6.943420       6.562350 
1 1 1 6  6  8  o 527.396 3.4608 2778.26  25.008  524.462 4.1515 530.331 5.5383 -5.869141      6.921520 
1 1 1 6  6  10 o 595.601 3.8347 3564.18  31.631  606.024 4.7201 585.178 6.0449 20.84637       7.669399 
1 1 1 6  6  12 o 146.630 1.2989 214.410  2.6437  144.802 1.6315 148.457 2.0214 -3.655792      2.597702 
1 1 1 6  6  14 o 378.401 2.5209 1436.47  13.331  385.206 3.2157 371.597 3.8833 13.60873       5.041885 
1 1 1 6  6  16 f 474.623 3.4664 2267.56  22.831  488.935 4.2834 460.311 5.4514 28.62375       6.932873 
1 1 1 6  6  18 o 249.637 1.8183 623.493  6.3212  250.138 2.2973 249.137 2.8192 1.001709       3.636679 
1 1 1 6  6  20 o 588.883 3.7983 3473.66  31.535  596.869 5.1027 580.897 5.6277 15.97186       7.596676 
1 1 1 6  6  22 o 276.969 1.9154 767.220  7.5012  277.971 2.7334 275.967 2.6839 2.004120       3.830799 
1 1 1 6  6  24 o 520.281 3.3197 2705.63  23.876  517.633 4.0952 522.929 5.2259 -5.295471      6.639397 
1 1 1 6  6  26 o 66.698  1.4822 44.983   1.3542  69.380  1.7486 64.016  2.3938 5.364265       2.964424 
1 1 1 6  6  28 o 238.212 2.0493 565.869  6.4495  236.351 2.2422 240.072 3.4309 -3.720184      4.098661 
1 1 1 6  6  30 o 105.698 1.4708 112.679  2.1540  109.719 1.8040 101.677 2.3235 8.042015       2.941618 
1 1 1 6  6  32 o 42.518  2.0139 17.908   1.1997  39.293  2.7625 45.743  2.9313 -6.449787      4.027870 
1 1 1 6  6  34 o 101.027 1.8187 101.847  2.1560  100.614 1.5865 101.440 3.2731 -0.8264389     3.637324 
1 1 1 6  6  36 o 176.622 1.8803 311.395  4.1737  175.660 1.8538 177.585 3.2719 -1.925873      3.760558 
1 1 1 6  6  38 o 98.527  1.8425 96.477   2.1991  97.375  1.7049 99.680  3.2668 -2.305794      3.684923 
1 1 1 6  6  40 o 72.576  2.1077 52.276   1.9503  71.142  2.1540 74.010  3.6234 -2.868958      4.215341 
1 1 1 6  6  42 o 48.522  2.8878 24.174   1.7618  50.320  2.7916 46.725  5.0561 3.594421       5.775547 
1 1 1 6  6  44 o 20.719  5.2409 3.7557   1.7962  18.132  6.3088 23.307  8.3706 -5.174612      10.48184 
1 1 1 6  6  46 o 53.076  2.5258 29.307   1.6761  55.880  2.3995 50.271  4.4454 5.608925       5.051680 
1 1 1 6  6  48 o 33.371  3.8070 11.772   1.7414  29.481  5.6165 37.260  5.1409 -7.779102      7.614023 
1 1 1 6  6  50 o 40.422  3.5446 16.850   1.8973  38.284  4.0027 42.559  5.8511 -4.275242      7.089217 
1 1 1 6  6  52 o 18.725  5.4898 2.6357   2.3735  18.458  7.4980 18.993  8.0209 -0.5355148     10.97969 
1 1 1 6  6  54 o 15.697  4.7959 1.1333   1.9155  15.537  6.3039 15.857  7.2294 -0.3198547     9.591818 
1 1 1 6  7  1  o 156.149 1.4359 243.630  3.1345  156.904 2.1975 155.393 1.8490 1.511246       2.871898 
1 1 1 6  7  3  o 241.044 1.7707 581.241  6.0337  238.130 2.5473 243.958 2.4602 -5.827881      3.541366 
1 1 1 6  7  5  o 472.817 3.0695 2234.32  20.506  482.116 4.3969 463.518 4.2841 18.59824       6.138932 
1 1 1 6  7  7  o 832.548 4.9159 6938.10  57.874  835.940 6.9966 829.156 6.9075 6.784546       9.831849 
1 1 1 6  7  9  o 460.718 2.9704 2122.90  19.321  462.810 4.3320 458.626 4.0653 4.184235       5.940773 
1 1 1 6  7  11 o 356.072 2.5845 1265.13  12.795  352.118 3.2640 360.025 4.0081 -7.907104      5.168998 
1 1 1 6  7  13 o 793.637 4.8621 6316.70  53.549  802.026 6.0425 785.248 7.6190 16.77765       9.724235 
1 1 1 6  7  15 o 615.499 3.7658 3795.19  32.325  620.284 4.7763 610.715 5.8235 9.569275       7.531642 
1 1 1 6  7  17 o 667.247 4.0139 4450.29  37.200  664.783 5.0329 669.710 6.2543 -4.926880      8.027850 
1 1 1 6  7  19 o 266.991 1.9657 710.181  7.2242  263.193 2.4017 270.788 3.1125 -7.594757      3.931401 
1 1 1 6  7  21 o 136.331 1.9750 186.147  3.7924  138.205 2.6334 134.456 2.9442 3.749008       3.950099 
1 1 1 6  7  23 o 200.914 1.5693 404.768  4.4190  204.428 2.0302 197.400 2.3936 7.027740       3.138623 
1 1 1 6  7  25 o 47.797  1.7720 22.962   1.1597  48.600  2.1021 46.993  2.8533 1.606758       3.544003 
1 1 1 6  7  27 o 113.799 1.5349 129.028  2.3188  112.712 1.6995 114.886 2.5566 -2.174339      3.069887 
1 1 1 6  7  29 o 93.499  2.1842 89.204   2.5659  96.863  2.1094 90.135  3.8253 6.728157       4.368350 
1 1 1 6  7  31 o 178.584 1.9910 314.895  4.2708  174.964 1.8247 182.205 3.5394 -7.240768      3.982030 
1 1 1 6  7  33 o 88.211  1.8318 78.464   2.0691  89.532  1.8542 86.891  3.1598 2.641479       3.663665 
1 1 1 6  7  35 o 25.617  4.4123 6.7832   1.4873  26.932  4.2674 24.302  7.7241 2.630013       8.824504 
1 1 1 6  7  37 o 13.051  4.1043 -1.0922  1.4455  10.897  4.9718 15.206  6.5318 -4.308993      8.208688 
1 1 1 6  7  39 o 90.491  2.0309 82.568   2.1991  91.338  1.8175 89.644  3.6326 1.693817       4.061883 
1 1 1 6  7  41 o 59.463  2.4595 34.830   1.9155  56.859  2.6951 62.067  4.1149 -5.208797      4.918970 
1 1 1 6  7  43 o 23.572  4.5205 5.8364   1.6861  28.577  5.3372 18.567  7.2975 10.00989       9.040986 
1 1 1 6  7  45 o 52.959  3.2882 28.180   2.0117  52.213  2.8126 53.704  5.9447 -1.490520      6.576458 
1 1 1 6  7  47 o 79.655  2.1973 65.307   2.2227  82.482  2.1675 76.828  3.8230 5.653534       4.394697 
1 1 1 6  7  49 o 47.239  3.1344 23.839   1.8784  50.151  3.0556 44.326  5.4738 5.824856       6.268858 
1 1 1 6  7  51 o 20.886  5.0204 4.8207   1.7787  18.682  6.8222 23.090  7.3673 -4.407995      10.04085 
1 1 1 6  7  53 o 24.584  4.8942 7.4727   1.8164  27.238  6.0211 21.930  7.7174 5.307487       9.788349 
1 1 1 6  7  55 o 18.446  5.2204 2.9040   2.3882  21.733  7.6043 15.158  7.1543 6.574619       10.44074 
1 1 1 6  8  0  o 189.357 2.1249 358.712  8.0452  189.357 2.1249 ?       ?      0.000000       0.000000 
1 1 1 6  8  2  o 266.190 1.9510 708.737  7.3406  265.530 2.8134 266.850 2.7038 -1.320587      3.902048 
1 1 1 6  8  4  o 398.446 2.6178 1587.63  14.740  396.254 3.6255 400.639 3.7771 -4.384979      5.235562 
1 1 1 6  8  6  o 376.951 2.4853 1421.12  13.245  374.946 3.4740 378.956 3.5551 -4.010742      4.970665 
1 1 1 6  8  8  o 449.005 2.9059 2016.40  18.447  444.493 4.0796 453.516 4.1392 -9.023468      5.811736 
1 1 1 6  8  10 o 562.273 3.7842 3165.63  29.995  556.948 5.6061 567.597 5.0847 -10.64978      7.568473 
1 1 1 6  8  12 o 931.194 5.7205 8654.82  73.248  922.289 6.9507 940.099 9.0875 -17.81091      11.44098 
1 1 1 6  8  14 o 480.711 3.1197 2307.03  20.620  477.465 3.7845 483.957 4.9607 -6.492096      6.239490 
1 1 1 6  8  16 o 371.715 3.3557 1382.79  17.414  372.737 4.2825 370.692 5.1674 2.045166       6.711338 
1 1 1 6  8  18 o 508.108 3.1885 2584.12  22.588  509.669 4.0465 506.546 4.9286 3.123352       6.376906 
1 1 1 6  8  20 o 255.425 2.0687 652.583  7.4700  250.301 2.9591 260.549 2.8917 -10.24826      4.137434 
1 1 1 6  8  22 o 599.141 3.7218 3583.40  30.818  592.781 4.5994 605.500 5.8525 -12.72003      7.443526 
1 1 1 6  8  24 o 297.847 2.1350 889.976  8.8839  302.690 2.7212 293.004 3.2905 9.686493       4.269942 
1 1 1 6  8  26 o 246.532 2.1645 608.770  6.6528  247.033 2.0936 246.031 3.7890 1.002991       4.328959 
1 1 1 6  8  28 o 289.329 2.6616 831.350  9.5523  285.471 2.5722 293.188 4.6605 -7.716553      5.323181 
1 1 1 6  8  30 o 226.144 2.2185 505.871  6.2366  221.620 2.1608 230.667 3.8753 -9.046219      4.437019 
1 1 1 6  8  32 o 211.837 2.1917 444.871  5.6046  208.686 2.0194 214.988 3.8906 -6.301041      4.383488 
1 1 1 6  8  34 o 113.923 1.6696 128.822  2.4294  112.128 1.7083 115.719 2.8692 -3.591049      3.339283 
1 1 1 6  8  36 o 233.740 2.1708 539.254  6.3218  227.811 2.1301 239.668 3.7830 -11.85739      4.341524 
1 1 1 6  8  38 o 127.601 1.8479 164.085  2.9422  128.988 1.7820 126.215 3.2377 2.773399       3.695712 
1 1 1 6  8  40 o 101.597 1.9181 102.195  2.3694  99.612  1.7948 103.581 3.3904 -3.969872      3.836107 
1 1 1 6  8  42 o 42.881  3.4192 18.373   2.0511  38.613  4.7954 47.149  4.8752 -8.536045      6.838359 
1 1 1 6  8  44 o 28.090  5.0431 8.4283   1.9702  27.421  6.3979 28.760  7.7972 -1.338518      10.08612 
1 1 1 6  8  46 o 63.745  2.7994 40.176   2.1991  60.903  2.7259 66.587  4.8904 -5.684227      5.598795 
1 1 1 6  8  48 o 33.941  5.1531 13.577   2.2407  38.655  4.6250 29.226  9.2101 9.429190       10.30616 
1 1 1 6  8  50 f 27.235  5.1924 8.8152   2.0013  29.346  5.6406 25.124  8.7193 4.222654       10.38473 
1 1 1 6  8  52 o 14.344  4.4192 -0.0935  1.7308  15.065  6.1511 13.622  6.3467 1.442684       8.838341 
1 1 1 6  8  54 o 16.669  4.8867 1.8916   2.0113  18.473  7.0131 14.865  6.8070 3.608158       9.773344 
1 1 1 6  9  1  o 638.376 4.2779 4081.45  38.415  634.566 6.4095 642.186 5.6673 -7.620178      8.555740 
1 1 1 6  9  3  o 882.435 5.3463 7793.91  66.679  892.747 7.6671 872.122 7.4531 20.62451       10.69263 
1 1 1 6  9  5  o 362.041 2.5080 1310.85  12.814  363.157 3.6747 360.926 3.4143 2.230591       5.016034 
1 1 1 6  9  7  o 169.965 1.4216 288.966  3.4157  168.631 2.0447 171.298 1.9755 -2.667526      2.843131 
1 1 1 6  9  9  o 719.840 4.3904 5184.23  44.692  725.336 6.2148 714.344 6.2032 10.99200       8.780884 
1 1 1 6  9  11 o 272.341 2.0966 742.626  8.0041  274.429 2.7222 270.252 3.1895 4.177155       4.193272 
1 1 1 6  9  13 o 405.199 2.7582 1639.75  15.756  411.538 4.0494 398.861 3.7459 12.67740       5.516325 
1 1 1 6  9  15 o 987.083 5.8260 9750.93  79.267  987.041 7.1028 987.125 9.2368 -0.8367920E-01 11.65195 
1 1 1 6  9  17 o 442.158 2.9758 1957.03  18.266  443.645 3.7132 440.672 4.6511 2.972717       5.951505 
1 1 1 6  9  19 f 689.853 4.2023 4765.23  40.164  691.560 5.2073 688.146 6.5971 3.414063       8.404631 
1 1 1 6  9  21 o 236.768 1.8020 559.838  5.9198  235.155 2.2537 238.380 2.8124 -3.224426      3.603997 
1 1 1 6  9  23 o 194.286 1.5412 377.257  4.1667  193.583 1.9460 194.988 2.3904 -1.405289      3.082404 
1 1 1 6  9  25 o 141.742 1.7497 202.042  3.4655  146.408 2.2242 137.077 2.7016 9.330627       3.499403 
1 1 1 6  9  27 o 41.464  2.6706 17.039   1.5324  39.776  3.3710 43.151  4.1431 -3.375080      5.341296 
1 1 1 6  9  29 o 116.368 1.6511 135.406  2.6072  116.159 1.9239 116.576 2.6838 -0.4177933     3.302135 
1 1 1 6  9  31 o 277.660 2.4383 776.010  8.5200  280.406 2.3909 274.914 4.2503 5.491638       4.876616 
1 1 1 6  9  33 o 248.600 2.2417 618.847  6.9249  248.657 2.1570 248.544 3.9305 0.1130524      4.483484 
1 1 1 6  9  35 o 137.380 1.5519 189.397  2.8918  138.448 1.7986 136.313 2.5294 2.134506       3.103708 
1 1 1 6  9  37 o 135.813 1.7282 185.403  3.0572  136.958 1.8182 134.667 2.9396 2.291031       3.456487 
1 1 1 6  9  39 o 63.326  2.0913 41.409   1.7308  67.745  2.1678 58.907  3.5770 8.838062       4.182575 
1 1 1 6  9  41 o 18.465  4.7882 2.2142   1.7272  20.261  6.1115 16.669  7.3728 3.591978       9.576469 
1 1 1 6  9  43 o 48.097  2.9478 23.272   1.9052  47.348  3.3713 48.846  4.8366 -1.497643      5.895594 
1 1 1 6  9  45 o 26.433  5.3203 7.4415   1.9832  25.738  6.2545 27.129  8.6083 -1.390980      10.64056 
1 1 1 6  9  47 o 23.637  5.3986 5.8015   1.8585  21.365  6.2075 25.910  8.8343 -4.545282      10.79714 
1 1 1 6  9  49 o 22.914  5.3037 5.6683   1.8475  19.931  6.4600 25.898  8.4134 -5.966682      10.60736 
1 1 1 6  9  51 o 20.772  5.5019 4.2717   2.2555  17.161  7.2189 24.383  8.3048 -7.222105      11.00379 
1 1 1 6  9  53 o 19.028  5.4294 3.4120   2.1655  14.951  6.4785 23.105  8.7146 -8.154798      10.85888 
1 1 1 6  10 0  o 658.675 5.8852 4341.45  77.514  658.675 5.8852 ?       ?      0.000000       0.000000 
1 1 1 6  10 2  o 617.370 4.0000 3811.01  34.875  626.313 5.7906 608.427 5.5200 17.88599       8.000083 
1 1 1 6  10 4  o 182.868 1.5448 334.291  3.9781  183.635 2.2948 182.101 2.0687 1.534180       3.089646 
1 1 1 6  10 6  o 157.656 1.3173 248.570  2.9371  157.596 1.8637 157.717 1.8623 -0.1215210     2.634665 
1 1 1 6  10 8  o 764.351 4.6316 5846.13  50.057  759.966 6.6290 768.735 6.4703 -8.768250      9.263275 
1 1 1 6  10 10 o 710.050 4.3498 5044.21  43.668  708.374 6.2375 711.726 6.0645 -3.352417      8.699681 
1 1 1 6  10 12 o 348.645 2.3763 1214.59  11.697  353.250 3.4524 344.041 3.2664 9.208221       4.752682 
1 1 1 6  10 14 o 312.317 2.9428 976.023  12.900  313.221 3.8528 311.413 4.4492 1.808136       5.885552 
1 1 1 6  10 16 o 415.131 3.4128 1732.69  19.819  401.310 5.2505 428.952 4.3614 -27.64200      6.825614 
1 1 1 6  10 18 o 401.628 3.0807 1619.94  16.271  405.230 3.3089 398.026 5.1975 7.203278       6.161419 
1 1 1 6  10 20 o 205.992 1.7890 424.396  5.1879  205.917 2.3876 206.067 2.6647 -0.1502838     3.577918 
1 1 1 6  10 22 o 101.347 1.2723 102.125  1.7923  98.640  1.6183 104.055 1.9636 -5.415024      2.544505 
1 1 1 6  10 24 o 89.981  1.5064 81.026   1.9155  92.004  2.0820 87.959  2.1777 4.044708       3.012849 
1 1 1 6  10 26 o 53.339  1.9150 28.554   1.4303  54.419  2.4640 52.260  2.9323 2.158405       3.830068 
1 1 1 6  10 28 o 52.069  2.1210 27.070   1.4659  51.772  2.3433 52.367  3.5360 -0.5950203     4.241935 
1 1 1 6  10 30 o 25.208  4.3207 6.4250   1.4659  22.671  5.4173 27.745  6.7326 -5.074764      8.641483 
1 1 1 6  10 32 o 203.911 1.9261 410.990  4.9418  199.365 1.9216 208.458 3.3387 -9.093872      3.852171 
1 1 1 6  10 34 o 199.332 1.8883 401.654  4.8685  203.332 1.9469 195.331 3.2361 8.000748       3.776652 
1 1 1 6  10 36 o 102.659 1.7101 106.617  2.3658  105.787 1.9314 99.531  2.8227 6.256439       3.420224 
1 1 1 6  10 38 o 81.316  1.7954 66.619   1.9256  82.372  1.9379 80.261  3.0231 2.111023       3.590853 
1 1 1 6  10 40 o 67.221  2.4567 44.805   1.9721  65.914  2.2280 68.528  4.3792 -2.613968      4.913394 
1 1 1 6  10 42 o 105.020 1.6554 110.218  2.3440  103.954 1.9041 106.085 2.7085 -2.130821      3.310771 
1 1 1 6  10 44 o 14.362  4.3732 -0.2947  1.6208  14.703  6.0117 14.020  6.3530 0.6826191      8.746436 
1 1 1 6  10 46 o 31.758  4.6037 10.399   1.8648  27.845  5.4690 35.671  7.4071 -7.826464      9.207334 
1 1 1 6  10 48 o 56.632  2.8594 33.056   2.1180  56.502  3.0512 56.763  4.8369 -0.2607880     5.718852 
1 1 1 6  10 50 o 21.487  5.1307 4.9305   2.0253  25.243  7.0613 17.731  7.4455 7.512203       10.26145 
1 1 1 6  10 52 o 13.168  4.2476 -1.2236  1.7507  12.652  5.7900 13.684  6.2165 -1.032387      8.495234 
1 1 1 6  10 54 o 19.025  5.0373 4.2405   1.9500  21.215  6.8676 16.835  7.3713 4.379946       10.07468 
1 1 1 6  11 1  o 403.390 2.8205 1627.68  16.090  404.229 3.9805 402.552 3.9971 1.677795       5.641009 
1 1 1 6  11 3  o 449.044 3.0324 2016.78  19.236  449.801 4.4005 448.287 4.1733 1.514435       6.064714 
1 1 1 6  11 5  o 376.301 2.6936 1416.10  14.331  374.334 3.7696 378.268 3.8486 -3.934326      5.387157 
1 1 1 6  11 7  o 375.674 2.5066 1411.88  13.312  379.558 3.4822 371.790 3.6065 7.768066       5.013247 
1 1 1 6  11 9  o 224.438 1.8305 503.534  5.8076  228.222 2.6019 220.655 2.5754 7.566681       3.660929 
1 1 1 6  11 11 o 511.280 3.1918 2612.70  23.062  501.180 4.4717 521.379 4.5557 -20.19922      6.383633 
1 1 1 6  11 13 o 338.215 2.3431 1144.16  11.205  339.669 3.2708 336.761 3.3560 2.908112       4.686224 
1 1 1 6  11 15 o 735.608 4.3640 5413.03  45.372  740.731 6.2753 730.485 6.0661 10.24640       8.727970 
1 1 1 6  11 17 f 158.979 2.1151 251.063  4.4083  161.382 3.5608 156.575 2.2836 4.806076       4.230204 
1 1 1 6  11 19 o 95.942  1.3416 91.958   1.8147  94.811  1.8183 97.073  1.9733 -2.261574      2.683291 
1 1 1 6  11 21 o 534.118 3.3615 2855.22  24.879  534.135 4.1719 534.102 5.2720 0.3326416E-01  6.723061 
1 1 1 6  11 23 o 241.067 1.9395 579.843  6.4718  238.483 2.4096 243.651 3.0399 -5.168381      3.879053 
1 1 1 6  11 25 f 145.752 1.4167 212.557  2.8768  145.975 1.7934 145.529 2.1937 0.4458923      2.833492 
1 1 1 6  11 27 o 160.112 1.8567 257.836  3.8909  161.967 1.9711 158.257 3.1470 3.709976       3.713320 
1 1 1 6  11 29 o 272.248 2.3761 734.839  8.3480  266.977 2.4873 277.519 4.0493 -10.54221      4.752234 
1 1 1 6  11 31 o 141.463 1.7206 201.464  3.1127  143.136 1.7397 139.790 2.9689 3.345917       3.441110 
1 1 1 6  11 33 o 92.624  1.6457 85.947   2.0123  92.815  1.7886 92.433  2.7631 0.3823929      3.291486 
1 1 1 6  11 35 o 104.399 1.6908 109.261  2.3882  104.816 1.9493 103.981 2.7633 0.8353119      3.381644 
1 1 1 6  11 37 o 125.910 1.6660 159.249  2.7016  126.692 1.7135 125.128 2.8576 1.564789       3.331966 
1 1 1 6  11 39 o 20.077  4.8285 3.7274   1.6432  20.857  6.2480 19.296  7.3635 1.561565       9.657089 
1 1 1 6  11 41 o 36.589  3.4028 13.480   1.6388  36.325  3.6912 36.852  5.7177 -0.5262527     6.805684 
1 1 1 6  11 43 o 24.227  4.5352 6.2318   1.5324  24.538  5.3525 23.917  7.3228 0.6207428      9.070465 
1 1 1 6  11 45 o 45.282  2.9102 20.723   1.7966  44.028  3.4805 46.535  4.6651 -2.507305      5.820426 
1 1 1 6  11 47 o 18.615  5.1257 2.5310   1.8297  14.665  6.0893 22.564  8.2468 -7.898740      10.25137 
1 1 1 6  11 49 o 26.436  5.2045 8.0930   1.9155  26.018  6.0069 26.854  8.5008 -0.8353615     10.40893 
1 1 1 6  11 51 o 35.011  4.7666 14.536   2.2303  37.870  5.2267 32.152  7.9727 5.718201       9.533265 
1 1 1 6  11 53 o 15.234  4.8144 0.1201   2.1347  13.702  6.3320 16.765  7.2538 -3.063263      9.628707 
1 1 1 6  12 0  o 129.043 2.0298 166.650  5.2357  129.043 2.0298 ?       ?      0.000000       0.000000 
1 1 1 6  12 2  o 525.465 3.7050 2758.14  27.129  521.776 4.7113 529.153 5.7195 -7.377075      7.410087 
1 1 1 6  12 4  o 913.036 5.4789 8341.12  70.737  920.088 7.7793 905.984 7.7172 14.10443       10.95774 
1 1 1 6  12 6  o 147.315 1.4264 217.171  2.9687  149.829 1.9603 144.801 2.0725 5.027878       2.852711 
1 1 1 6  12 8  o 285.996 2.2024 817.818  8.9015  287.625 3.1745 284.367 3.0537 3.257965       4.404813 
1 1 1 6  12 10 o 432.974 2.9044 1875.08  17.780  432.560 4.1626 433.388 4.0515 -0.8279724     5.808822 
1 1 1 6  12 12 o 170.400 1.4706 290.281  3.5411  171.599 2.1209 169.201 2.0378 2.397614       2.941227 
1 1 1 6  12 14 o 282.043 1.9695 795.129  7.8406  284.272 2.8750 279.815 2.6926 4.456696       3.939028 
1 1 1 6  12 16 o 423.445 2.7099 1794.32  16.212  419.997 3.9375 426.893 3.7243 -6.896362      5.419787 
1 1 1 6  12 18 o 206.489 1.6301 426.280  4.7464  207.399 2.4013 205.578 2.2052 1.821060       3.260250 
1 1 1 6  12 20 o 104.756 1.7675 109.505  2.6116  110.362 2.4878 99.150  2.5115 11.21269       3.535084 
1 1 1 6  12 22 o 235.997 1.8914 559.111  6.1922  239.793 2.3432 232.200 2.9698 7.592560       3.782885 
1 1 1 6  12 24 f 117.983 1.3443 138.827  2.2056  116.389 1.7006 119.576 2.0825 -3.186600      2.688677 
1 1 1 6  12 26 o 144.601 2.0154 211.337  3.6088  147.100 1.9099 142.102 3.5497 4.997894       4.030862 
1 1 1 6  12 28 o 93.481  1.7937 87.975   2.2776  95.266  2.0777 91.696  2.9246 3.569511       3.587486 
1 1 1 6  12 30 f 111.961 1.6156 122.863  2.2544  108.019 1.5960 115.903 2.8096 -7.884193      3.231219 
1 1 1 6  12 32 f 188.787 1.9588 357.032  4.7707  189.029 2.0267 188.546 3.3526 0.4830322      3.917578 
1 1 1 6  12 34 o 296.874 2.6754 880.054  9.8996  294.768 2.5993 298.979 4.6770 -4.211151      5.350785 
1 1 1 6  12 36 o 87.425  1.7686 76.579   2.1409  87.551  2.1879 87.298  2.7793 0.2524948      3.537167 
1 1 1 6  12 38 o 65.572  2.0619 43.612   1.7724  67.269  2.1831 63.876  3.4986 3.393456       4.123870 
1 1 1 6  12 40 o 67.334  2.1008 45.384   1.8297  66.971  2.1928 67.698  3.5841 -0.7261505     4.201657 
1 1 1 6  12 42 o 36.561  3.0768 13.220   1.5554  31.753  4.2227 41.368  4.4761 -9.614643      6.153584 
1 1 1 6  12 44 o 22.000  5.3963 4.4440   1.9921  17.890  6.7679 26.109  8.4070 -8.219284      10.79266 
1 1 1 6  12 46 o 32.230  4.9023 11.627   1.8869  34.123  4.1166 30.337  8.8984 3.785749       9.804515 
1 1 1 6  12 48 o 41.465  3.6969 18.301   1.8437  42.347  3.3171 40.584  6.6078 1.763023       7.393706 
1 1 1 6  12 50 o 26.931  4.9597 8.3541   1.9279  20.806  6.8695 33.056  7.1558 -12.24941      9.919478 
1 1 1 6  12 52 o 12.893  4.2391 -1.7207  1.8181  12.160  5.5640 13.626  6.3971 -1.466168      8.478267 
1 1 1 6  13 1  o 235.780 1.8858 555.391  6.2813  230.947 2.6265 240.613 2.7067 -9.666397      3.771580 
1 1 1 6  13 3  o 573.320 3.8036 3288.03  30.840  573.921 5.3846 572.719 5.3737 1.202026       7.607272 
1 1 1 6  13 5  o 725.852 4.5035 5271.16  46.228  723.239 6.4006 728.465 6.3371 -5.226074      9.007053 
1 1 1 6  13 7  o 1105.91 6.9430 12248.26 107.871 1108.99 9.1372 1102.82 10.456 6.174438       13.88605 
1 1 1 6  13 9  o 386.098 2.5845 1490.48  14.101  388.759 3.7283 383.438 3.5802 5.321564       5.168943 
1 1 1 6  13 11 f 473.237 3.2320 2234.77  21.481  481.496 4.8402 464.977 4.2844 16.51901       6.464012 
1 1 1 6  13 13 o 130.144 1.4935 168.818  2.7218  132.792 2.2599 127.496 1.9531 5.296631       2.986951 
1 1 1 6  13 15 o 55.466  2.1272 30.835   1.6503  54.774  3.2640 56.157  2.7288 -1.383198      4.254373 
1 1 1 6  13 17 o 188.634 1.5315 355.354  4.0774  192.458 2.2228 184.811 2.1075 7.647125       3.063076 
1 1 1 6  13 19 o 207.768 1.5759 431.773  4.6272  207.583 2.2762 207.953 2.1800 -0.3704071     3.151725 
1 1 1 6  13 21 o 258.192 2.1120 665.370  7.6239  254.803 2.7314 261.581 3.2220 -6.778778      4.223995 
1 1 1 6  13 23 o 164.710 2.1550 270.574  4.9665  167.821 3.2720 161.599 2.8053 6.222198       4.309989 
1 1 1 6  13 25 o 198.450 1.7580 392.007  4.8336  194.184 2.2031 202.716 2.7403 -8.531708      3.516052 
1 1 1 6  13 27 o 336.901 2.7607 1136.81  13.153  337.263 3.8810 336.538 3.9274 0.7253113      5.521467 
1 1 1 6  13 29 o 53.893  2.7674 28.792   1.9646  52.612  3.0340 55.174  4.6290 -2.562054      5.534704 
1 1 1 6  13 31 o 135.083 1.7393 184.021  2.9767  137.027 1.7241 133.139 3.0213 3.888275       3.478656 
1 1 1 6  13 33 o 100.506 1.6439 100.661  2.1044  99.646  1.6660 101.366 2.8345 -1.720406      3.287899 
1 1 1 6  13 35 o 93.522  1.6599 87.948   2.1409  95.106  2.0141 91.937  2.6391 3.169121       3.319853 
1 1 1 6  13 37 o 34.869  4.0062 13.041   1.6761  37.900  3.5378 31.837  7.1890 6.063393       8.012356 
1 1 1 6  13 39 o 66.380  1.8746 44.795   1.7027  69.673  2.1994 63.086  3.0364 6.587669       3.749266 
1 1 1 6  13 41 o 67.228  2.0412 45.632   1.8815  68.227  2.4332 66.228  3.2779 1.999321       4.082332 
1 1 1 6  13 43 o 43.033  2.9898 18.279   1.7251  39.715  3.5370 46.351  4.8214 -6.636215      5.979598 
1 1 1 6  13 45 o 38.684  4.6773 16.810   2.1213  42.582  3.8986 34.785  8.5034 7.797165       9.354531 
1 1 1 6  13 47 o 20.532  5.0091 4.4057   1.6761  19.616  6.1514 21.448  7.9072 -1.832525      10.01817 
1 1 1 6  13 49 f 55.759  2.7235 32.213   2.1004  54.585  3.3922 56.933  4.2617 -2.347080      5.446985 
1 1 1 6  13 51 o 35.693  4.2333 14.471   2.0354  35.107  5.0925 36.279  6.7638 -1.171890      8.466574 
1 1 1 6  13 53 o 25.579  5.3461 8.8055   2.0157  22.836  6.9381 28.322  8.1355 -5.485380      10.69219 
1 1 1 6  14 0  o 743.145 6.4794 5525.24  96.286  743.145 6.4794 ?       ?      0.000000       0.000000 
1 1 1 6  14 2  o 423.719 2.8823 1795.72  17.271  422.845 4.0771 424.593 4.0753 -1.747742      5.764592 
1 1 1 6  14 4  o 268.655 2.0503 721.829  7.7898  268.358 2.9027 268.952 2.8963 -0.5941772     4.100569 
1 1 1 6  14 6  o 553.380 3.5781 3061.67  27.963  558.007 5.1949 548.754 4.9218 9.252869       7.156244 
1 1 1 6  14 8  o 235.379 1.9655 553.193  6.5321  241.590 2.8279 229.168 2.7305 12.42180       3.930983 
1 1 1 6  14 10 o 386.416 2.6172 1493.27  14.300  390.091 3.7156 382.741 3.6868 7.350647       5.234304 
1 1 1 6  14 12 o 537.240 3.4792 2887.10  26.424  540.414 4.9860 534.066 4.8539 6.348389       6.958500 
1 1 1 6  14 14 o 384.478 2.7075 1476.48  14.667  390.414 3.9905 378.541 3.6603 11.87311       5.414943 
1 1 1 6  14 16 o 687.776 4.1460 4734.68  40.294  691.191 5.9861 684.362 5.7379 6.828552       8.291952 
1 1 1 6  14 18 o 332.586 2.2614 1106.73  10.623  331.805 3.2906 333.368 3.1028 -1.562317      4.522783 
1 1 1 6  14 20 o 266.764 1.9385 712.055  7.3096  265.015 2.7948 268.513 2.6871 -3.497162      3.877011 
1 1 1 6  14 22 o 152.368 1.5116 231.852  3.2451  154.796 2.2274 149.940 2.0440 4.855667       3.023146 
1 1 1 6  14 24 o 34.668  2.7686 12.132   1.3409  31.537  4.2518 37.799  3.5474 -6.262075      5.537260 
1 1 1 6  14 26 o 138.204 1.4840 190.578  2.8037  136.989 1.7712 139.419 2.3815 -2.429489      2.967914 
1 1 1 6  14 28 o 100.543 1.4202 101.220  1.9986  101.055 1.8323 100.031 2.1702 1.023544       2.840313 
1 1 1 6  14 30 o 68.405  1.6840 46.616   1.6125  66.544  2.2069 70.267  2.5443 -3.722649      3.368089 
1 1 1 6  14 32 o 151.200 1.7051 228.151  3.4114  150.076 1.8720 152.324 2.8504 -2.247589      3.410149 
1 1 1 6  14 34 o 105.521 1.9060 109.615  2.4545  102.667 1.8036 108.374 3.3583 -5.706619      3.811922 
1 1 1 6  14 36 o 125.511 1.6660 157.910  2.8038  125.708 1.8793 125.314 2.7514 0.3938522      3.332004 
1 1 1 6  14 38 o 24.013  4.8833 5.9810   1.7089  23.593  6.1590 24.433  7.5797 -0.8403473     9.766576 
1 1 1 6  14 40 o 40.957  3.2553 16.993   1.8830  41.589  4.4523 40.325  4.7502 1.264202       6.510599 
1 1 1 6  14 42 o 32.521  4.0633 11.361   1.7089  35.289  4.1615 29.753  6.9801 5.535728       8.126549 
1 1 1 6  14 44 o 32.655  3.5840 11.358   1.5637  27.076  5.8267 38.234  4.1750 -11.15797      7.168050 
1 1 1 6  14 46 o 33.868  4.4342 12.793   1.8475  36.006  4.0786 31.731  7.8749 4.275377       8.868476 
1 1 1 6  14 48 o 55.847  3.0952 33.550   2.2321  59.061  3.1352 52.633  5.3377 6.427433       6.190360 
1 1 1 6  14 50 o 45.479  3.7358 22.929   2.1851  47.398  3.7719 43.559  6.4496 3.838249       7.471620 
1 1 1 6  14 52 o 16.590  5.2197 1.4013   2.2230  14.472  6.3169 18.709  8.3113 -4.237669      10.43938 
1 1 1 6  15 1  o 524.288 3.4231 2749.09  25.372  527.470 4.9025 521.106 4.7786 6.363220       6.846176 
1 1 1 6  15 3  o 893.142 5.4596 7983.46  68.958  898.594 7.6954 887.689 7.7467 10.90533       10.91927 
1 1 1 6  15 5  o 255.146 2.1247 651.098  7.6535  255.058 3.1042 255.235 2.9019 -0.1774445     4.249345 
1 1 1 6  15 7  o 433.915 2.8832 1881.06  17.635  439.419 4.2429 428.411 3.9049 11.00845       5.766322 
1 1 1 6  15 9  o 551.396 3.5286 3039.56  27.391  555.052 5.2456 547.741 4.7211 7.310486       7.057281 
1 1 1 6  15 11 f 440.730 2.9658 1941.61  18.456  446.054 4.3087 435.405 4.0768 10.64890       5.931659 
1 1 1 6  15 13 o 709.675 4.3748 5041.71  43.869  711.377 6.3278 707.974 6.0426 3.403564       8.749500 
1 1 1 6  15 15 o 483.036 3.1554 2335.29  21.549  478.111 4.5273 487.962 4.3966 -9.850769      6.310801 
1 1 1 6  15 17 o 355.659 2.4888 1263.44  12.371  359.008 3.8060 352.311 3.2078 6.697510       4.977561 
1 1 1 6  15 19 o 302.716 2.1645 916.560  9.2367  303.627 3.1964 301.806 2.9195 1.820770       4.329089 
1 1 1 6  15 21 o 130.300 1.6468 169.850  3.0299  130.200 2.4030 130.399 2.2524 -0.1989899     3.293570 
1 1 1 6  15 23 o 281.654 2.0043 793.980  7.9813  277.766 2.8734 285.542 2.7951 -7.775757      4.008640 
1 1 1 6  15 25 o 223.005 2.8254 495.844  7.6601  221.480 2.6234 224.531 5.0050 -3.050461      5.650848 
1 1 1 6  15 27 o 129.589 1.6246 168.253  2.9605  131.022 2.1442 128.156 2.4413 2.866135       3.249266 
1 1 1 6  15 29 o 109.126 1.8312 119.848  2.5150  110.234 1.7956 108.017 3.1920 2.216728       3.662389 
1 1 1 6  15 31 o 176.107 1.8548 310.443  4.3571  175.972 2.0682 176.241 3.0795 -0.2691803     3.709532 
1 1 1 6  15 33 o 118.561 1.5927 140.166  2.4917  117.510 1.7388 119.612 2.6691 -2.101578      3.185475 
1 1 1 6  15 35 o 87.809  1.6828 77.047   2.0354  86.960  2.0559 88.659  2.6647 -1.699669      3.365590 
1 1 1 6  15 37 o 65.085  2.4510 42.602   2.0987  65.207  2.6438 64.964  4.1280 0.2431259      4.902099 
1 1 1 6  15 39 o 87.899  1.7947 77.514   2.1469  87.944  2.1055 87.854  2.9071 0.8921051E-01  3.589491 
1 1 1 6  15 41 f 70.950  2.4937 49.763   2.0841  68.975  2.2217 72.926  4.4653 -3.951279      4.987480 
1 1 1 6  15 43 o 39.882  3.3912 16.385   1.8398  40.366  3.9545 39.398  5.5103 0.9678040      6.782415 
1 1 1 6  15 45 f 21.276  5.0007 4.4342   1.8978  24.190  6.0745 18.362  7.9453 5.827835       10.00136 
1 1 1 6  15 47 o 33.445  4.4282 12.661   1.9052  35.920  4.4440 30.970  7.6607 4.949524       8.856403 
1 1 1 6  15 49 o 21.636  4.8309 5.1080   1.8830  16.133  6.8394 27.139  6.8245 -11.00601      9.661802 
1 1 1 6  15 51 o 14.381  4.6059 -1.3409  2.1409  15.865  6.7862 12.897  6.2293 2.968262       9.211809 
1 1 1 6  16 0  o 642.974 5.8005 4136.36  74.577  642.974 5.8005 ?       ?      0.000000       0.000000 
1 1 1 6  16 2  o 402.642 2.9328 1621.91  16.695  404.839 4.0849 400.444 4.2095 4.394958       5.865656 
1 1 1 6  16 4  o 581.706 3.7760 3385.51  31.062  580.589 5.3118 582.823 5.3681 -2.234802      7.551962 
1 1 1 6  16 6  o 329.727 2.4310 1087.62  11.333  327.577 3.4890 331.878 3.3861 -4.300232      4.861981 
1 1 1 6  16 8  o 707.713 4.4277 5011.58  44.286  712.051 6.3756 703.374 6.1456 8.676270       8.855355 
1 1 1 6  16 10 o 745.975 4.5679 5571.96  48.157  743.792 6.6014 748.157 6.3154 -4.364502      9.135844 
1 1 1 6  16 12 o 307.210 2.2272 944.119  9.6682  307.021 3.2235 307.400 3.0741 -0.3788147     4.454348 
1 1 1 6  16 14 o 471.330 3.0849 2223.31  20.559  468.415 4.4165 474.245 4.3084 -5.829193      6.169876 
1 1 1 6  16 16 o 178.011 1.6164 316.909  4.0241  178.151 2.4730 177.871 2.0820 0.2797241      3.232741 
1 1 1 6  16 18 o 389.001 2.6425 1515.16  14.520  384.892 3.8487 393.110 3.6221 -8.218597      5.285045 
1 1 1 6  16 20 o 162.811 1.6117 265.078  3.6857  163.218 2.4254 162.403 2.1231 0.8154449      3.223365 
1 1 1 6  16 22 f 411.957 2.7564 1699.34  16.058  409.610 3.9126 414.305 3.8837 -4.694122      5.512857 
1 1 1 6  16 24 o 53.986  2.3131 29.107   1.7274  54.511  3.6312 53.461  2.8664 1.049545       4.626177 
1 1 1 6  16 26 o 196.560 2.0615 386.448  5.6745  197.437 3.1369 195.682 2.6756 1.754654       4.123038 
1 1 1 6  16 28 o 59.194  2.0223 35.074   1.6914  61.135  2.8199 57.254  2.8996 3.880585       4.044685 
1 1 1 6  16 30 o 252.831 2.3782 643.423  7.8682  255.362 2.5254 250.299 4.0305 5.062988       4.756338 
1 1 1 6  16 32 o 178.154 1.8819 320.026  4.3702  180.878 1.9768 175.431 3.2029 5.446686       3.763810 
1 1 1 6  16 34 o 94.995  2.0261 90.578   2.5109  95.284  2.1443 94.706  3.4384 0.5778122      4.052248 
1 1 1 6  16 36 o 211.369 1.9935 444.746  5.5198  207.829 2.1506 214.908 3.3573 -7.079025      3.987026 
1 1 1 6  16 38 o 75.615  1.9251 57.836   1.9500  77.306  2.1475 73.924  3.1958 3.381302       3.850278 
1 1 1 6  16 40 o 26.992  5.2178 7.6758   1.9332  26.600  5.9158 27.384  8.5967 -0.7837334     10.43554 
1 1 1 6  16 42 o 55.030  2.3707 30.931   1.8057  57.352  2.8946 52.708  3.7553 4.643841       4.741452 
1 1 1 6  16 44 o 50.751  3.1650 26.587   2.1454  50.310  3.5536 51.192  5.2385 -0.8819771     6.330072 
1 1 1 6  16 46 o 50.783  2.9298 26.968   2.0511  52.376  3.5353 49.189  4.6730 3.186733       5.859666 
1 1 1 6  16 48 o 22.814  5.3080 6.1722   2.0067  24.169  7.3075 21.459  7.7006 2.710653       10.61592 
1 1 1 6  16 50 o 18.494  5.5440 2.8615   2.0483  14.467  6.0533 22.520  9.2899 -8.052979      11.08801 
1 1 1 6  17 1  f 515.506 3.5693 2659.03  26.016  516.445 4.9825 514.568 5.1123 1.876465       7.138692 
1 1 1 6  17 3  o 345.649 2.4767 1195.58  12.098  341.685 3.5879 349.613 3.4152 -7.927246      4.953447 
1 1 1 6  17 5  o 231.715 1.9286 536.355  6.3109  227.004 2.6721 236.425 2.7817 -9.420563      3.857189 
1 1 1 6  17 7  o 379.034 2.7339 1437.35  14.654  375.733 3.8915 382.335 3.8410 -6.602783      5.467862 
1 1 1 6  17 9  o 325.760 2.4393 1061.51  11.236  324.027 3.4287 327.493 3.4704 -3.466400      4.878514 
1 1 1 6  17 11 o 418.716 2.9384 1754.33  17.399  417.868 4.1867 419.564 4.1242 -1.695435      5.876852 
1 1 1 6  17 13 o 475.124 3.0785 2257.99  20.675  467.970 4.3115 482.278 4.3955 -14.30774      6.157076 
1 1 1 6  17 15 o 172.400 1.5336 296.669  3.7131  174.971 2.2990 169.829 2.0302 5.141937       3.067127 
1 1 1 6  17 17 o 110.756 1.5400 122.290  2.3429  112.078 2.4497 109.435 1.8671 2.643059       3.080095 
1 1 1 6  17 19 o 82.221  1.5389 67.271   1.7673  84.548  2.3411 79.895  1.9980 4.653259       3.077766 
1 1 1 6  17 21 o 196.250 1.7799 386.008  4.8866  194.257 2.7281 198.243 2.2868 -3.986710      3.559785 
1 1 1 6  17 23 o 45.390  2.2007 20.653   1.3931  45.034  3.4028 45.745  2.7916 -0.7113991     4.401341 
1 1 1 6  17 25 o 151.962 1.6682 231.089  3.5574  151.892 2.5222 152.032 2.1839 -0.1401367     3.336306 
1 1 1 6  17 27 o 82.215  1.8360 66.770   2.1004  87.486  2.7734 76.945  2.4065 10.54096       3.671905 
1 1 1 6  17 29 o 66.086  1.8889 43.790   1.7414  66.529  2.3993 65.642  2.9181 0.8865891      3.777856 
1 1 1 6  17 31 o 92.459  1.9676 85.362   2.4053  91.832  2.1554 93.085  3.2925 -1.252686      3.935271 
1 1 1 6  17 33 o 40.230  3.6844 16.636   1.9256  42.039  3.7971 38.421  6.3152 3.618347       7.368801 
1 1 1 6  17 35 o 35.693  2.9323 12.848   1.4658  32.036  4.3848 39.349  3.8944 -7.313004      5.864506 
1 1 1 6  17 37 o 44.966  2.8270 20.361   1.7673  44.930  3.5528 45.002  4.3984 -0.7186508E-01 5.654030 
1 1 1 6  17 39 o 91.247  2.1496 83.564   2.5781  90.716  2.3227 91.778  3.6177 -1.062218      4.299128 
1 1 1 6  17 41 o 60.811  2.3414 37.325   1.9986  59.922  3.0901 61.700  3.5185 -1.778801      4.682799 
1 1 1 6  17 43 o 19.852  5.4946 3.1086   2.0870  17.835  6.7618 21.868  8.6625 -4.033110      10.98914 
1 1 1 6  17 45 o 34.856  3.9522 13.356   1.8318  37.292  4.4517 32.420  6.5316 4.871735       7.904337 
1 1 1 6  17 47 o 23.817  4.9867 6.5766   1.9155  28.380  6.8233 19.254  7.2740 9.126293       9.973416 
1 1 1 6  17 49 o 14.708  4.6051 -0.3872  1.9500  15.374  6.4346 14.043  6.5898 1.331253       9.210277 
1 1 1 6  17 51 o 13.603  4.4792 -1.4287  1.9933  11.425  5.4527 15.780  7.1078 -4.355172      8.958386 
1 1 1 6  18 0  o 846.289 7.4102 7169.77  125.402 846.289 7.4102 ?       ?      0.000000       0.000000 
1 1 1 6  18 2  o 503.779 3.4116 2540.67  24.294  497.161 4.9189 510.398 4.7288 -13.23679      6.823233 
1 1 1 6  18 4  o 182.803 1.7916 334.014  4.6184  181.425 2.4284 184.181 2.6347 -2.755707      3.583119 
1 1 1 6  18 6  o 436.273 3.1012 1903.95  19.090  438.039 4.5478 434.506 4.2175 3.532990       6.202401 
1 1 1 6  18 8  o 187.328 1.6755 350.998  4.4355  187.482 2.3159 187.173 2.4220 0.3083649      3.351033 
1 1 1 6  18 10 f 250.362 1.9934 626.424  7.0380  252.972 2.9279 247.752 2.7061 5.220413       3.986858 
1 1 1 6  18 12 o 248.587 1.9189 618.806  6.7324  244.527 2.8201 252.647 2.6031 -8.120575      3.837821 
1 1 1 6  18 14 o 294.875 2.1975 869.833  9.1571  295.770 3.1734 293.980 3.0407 1.789886       4.395055 
1 1 1 6  18 16 o 75.964  1.8579 57.105   1.9052  78.269  3.0184 73.659  2.1671 4.610138       3.715771 
1 1 1 6  18 18 o 102.431 1.5923 104.280  2.2543  105.075 2.4914 99.788  1.9836 5.287262       3.184614 
1 1 1 6  18 20 f 147.673 1.6050 217.274  3.3275  151.990 2.3945 143.355 2.1379 8.634903       3.210073 
1 1 1 6  18 22 f 184.273 1.8914 339.707  4.7925  184.463 3.0114 184.083 2.2893 0.3799286      3.782778 
1 1 1 6  18 24 o 109.943 1.7690 120.646  2.7218  111.649 2.6879 108.238 2.3006 3.410995       3.538022 
1 1 1 6  18 26 o 209.460 2.0261 438.782  5.9911  206.254 2.7861 212.665 2.9423 -6.410950      4.052161 
1 1 1 6  18 28 o 175.405 1.8034 308.276  4.4686  178.066 2.4742 172.744 2.6243 5.321213       3.606761 
1 1 1 6  18 30 f 96.269  1.6194 92.766   2.1987  96.364  2.3853 96.174  2.1909 0.1901779      3.238810 
1 1 1 6  18 32 o 118.956 1.7470 142.754  2.7825  121.220 1.9489 116.691 2.9000 4.529053       3.494040 
1 1 1 6  18 34 o 48.030  2.5185 23.372   1.6866  50.436  3.1649 45.624  3.9186 4.812805       5.037083 
1 1 1 6  18 36 o 54.106  2.6389 29.779   1.9464  56.155  3.0700 52.057  4.2930 4.098118       5.277743 
1 1 1 6  18 38 o 41.983  4.1096 19.863   2.0374  49.552  3.4791 34.414  7.4465 15.13848       8.219134 
1 1 1 6  18 40 o 70.248  2.1486 49.861   2.0587  70.616  2.5317 69.879  3.4722 0.7370758      4.297159 
1 1 1 6  18 42 o 77.906  2.1672 61.020   2.2779  76.298  2.5106 79.515  3.5332 -3.216133      4.334338 
1 1 1 6  18 44 o 14.520  4.5769 -0.6104  1.8181  13.010  5.7963 16.030  7.0849 -3.020161      9.153802 
1 1 1 6  18 46 o 40.146  3.7160 17.379   2.1051  38.095  5.3635 42.197  5.1447 -4.102371      7.431970 
1 1 1 6  18 48 o 32.394  4.9912 12.710   2.1180  34.727  4.9644 30.061  8.6604 4.665213       9.982328 
1 1 1 6  18 50 o 39.763  4.1416 18.603   2.0507  40.987  4.0503 38.538  7.2254 2.448986       8.283239 
1 1 1 6  19 1  o 270.832 2.0097 733.719  7.6875  270.916 2.7575 270.747 2.9243 0.1695251      4.019368 
1 1 1 6  19 3  f 146.948 1.6283 215.913  3.3829  145.276 2.2855 148.620 2.3200 -3.344681      3.256615 
1 1 1 6  19 5  o 173.932 1.6355 302.568  4.0216  174.281 2.3447 173.584 2.2806 0.6963806      3.270910 
1 1 1 6  19 7  o 360.364 2.6687 1299.15  13.595  362.336 3.8240 358.392 3.7235 3.943268       5.337330 
1 1 1 6  19 9  o 574.299 4.1842 3300.45  33.590  577.239 6.4045 571.359 5.3864 5.879456       8.368495 
1 1 1 6  19 11 o 466.375 3.1570 2176.96  20.796  467.565 4.5884 465.185 4.3374 2.380219       6.313966 
1 1 1 6  19 13 f 136.781 1.5696 187.082  3.0245  137.222 2.3265 136.339 2.1074 0.8827515      3.139123 
1 1 1 6  19 15 f 276.272 2.0692 764.122  8.0709  274.026 3.0291 278.519 2.8198 -4.492920      4.138442 
1 1 1 6  19 17 o 314.501 2.3934 990.347  10.610  313.493 3.5439 315.509 3.2177 -2.016632      4.786775 
1 1 1 6  19 19 o 328.309 2.3405 1079.92  10.849  324.070 3.4283 332.548 3.1873 -8.477386      4.680985 
1 1 1 6  19 21 o 132.163 1.4561 174.943  2.7043  130.976 2.1937 133.350 1.9153 -2.373962      2.912184 
1 1 1 6  19 23 o 176.102 1.8792 308.377  4.4687  179.319 3.0622 172.886 2.1790 6.432693       3.758355 
1 1 1 6  19 25 o 59.500  2.3452 34.117   1.7585  63.548  4.0190 55.452  2.4181 8.096405       4.690368 
1 1 1 6  19 27 o 203.358 1.8557 413.927  5.3160  204.285 2.7505 202.432 2.4918 1.853180       3.711373 
1 1 1 6  19 29 o 222.668 1.9288 496.761  6.0550  221.607 2.8524 223.729 2.5971 -2.121323      3.857605 
1 1 1 6  19 31 o 61.459  2.5106 38.158   2.0813  62.638  2.8542 60.279  4.1310 2.359127       5.021144 
1 1 1 6  19 33 o 32.675  3.6871 11.268   1.5733  35.804  3.9233 29.546  6.2439 6.258511       7.374215 
1 1 1 6  19 35 o 51.096  2.8732 26.398   1.8973  51.557  2.9722 50.634  4.9179 0.9230309      5.746344 
1 1 1 6  19 37 o 104.762 1.8882 109.418  2.6949  102.142 2.2504 107.381 3.0325 -5.239388      3.776322 
1 1 1 6  19 39 o 59.674  2.5701 35.865   2.0585  58.909  2.9265 60.440  4.2257 -1.530964      5.140156 
1 1 1 6  19 41 o 15.786  4.7858 -0.2345  1.9218  12.959  5.9179 18.613  7.5230 -5.653769      9.571694 
1 1 1 6  19 43 o 31.467  4.6551 11.035   1.9256  32.704  4.8809 30.230  7.9282 2.473866       9.310141 
1 1 1 6  19 45 o 20.734  5.3516 4.6611   2.0432  20.470  7.5583 20.999  7.5783 -0.5295963     10.70318 
1 1 1 6  19 47 o 32.703  4.8269 12.180   2.0188  29.369  5.6363 36.037  7.8375 -6.668772      9.653703 
1 1 1 6  19 49 o 15.928  4.8872 1.3508   2.0412  16.074  6.8878 15.781  6.9352 0.2927513      9.774397 
1 1 1 6  20 0  o 56.453  3.1882 32.181   3.5756  56.453  3.1882 ?       ?      0.000000       0.000000 
1 1 1 6  20 2  o 189.921 1.8189 360.847  4.8844  191.048 2.5400 188.794 2.6041 2.253204       3.637754 
1 1 1 6  20 4  o 210.045 1.8486 441.334  5.4911  210.623 2.6071 209.468 2.6215 1.155136       3.697168 
1 1 1 6  20 6  o 177.878 1.7260 316.507  4.3418  178.686 2.4299 177.071 2.4520 1.615311       3.452059 
1 1 1 6  20 8  o 517.439 3.3204 2680.28  24.286  518.847 4.7748 516.032 4.6153 2.814453       6.640746 
1 1 1 6  20 10 o 539.287 3.4534 2912.22  26.336  537.227 4.8610 541.346 4.9066 -4.119385      6.906855 
1 1 1 6  20 12 o 465.126 3.1050 2165.19  20.332  467.177 4.6195 463.075 4.1503 4.102325       6.210087 
1 1 1 6  20 14 o 264.222 2.1558 699.159  8.0370  261.570 3.1734 266.875 2.9189 -5.304504      4.311620 
1 1 1 6  20 16 o 165.347 1.6028 273.235  3.7022  166.305 2.4572 164.389 2.0586 1.916077       3.205551 
1 1 1 6  20 18 o 228.777 1.8471 523.930  5.9617  227.808 2.7187 229.746 2.5013 -1.937729      3.694295 
1 1 1 6  20 20 o 115.541 1.4686 132.850  2.3599  118.381 2.2653 112.701 1.8696 5.679405       2.937206 
1 1 1 6  20 22 o 279.868 2.4777 784.469  9.7885  280.160 3.6237 279.576 3.3801 0.5835876      4.955422 
1 1 1 6  20 24 o 147.989 1.8827 219.421  3.9058  147.243 2.8620 148.735 2.4470 -1.491501      3.765470 
1 1 1 6  20 26 o 72.114  1.8814 51.898   1.8964  73.521  2.8660 70.708  2.4381 2.812088       3.762734 
1 1 1 6  20 28 o 162.149 1.6769 263.617  3.8140  160.463 2.5466 163.835 2.1825 -3.371902      3.353877 
1 1 1 6  20 30 o 99.522  1.7085 99.212   2.3735  99.569  2.6292 99.474  2.1824 0.9517670E-01  3.416947 
1 1 1 6  20 32 o 52.610  2.9866 29.018   1.9646  56.751  2.8128 48.468  5.2694 8.282425       5.973163 
1 1 1 6  20 34 o 52.607  3.1141 29.062   1.9670  56.180  2.7277 49.035  5.5992 7.145008       6.228279 
1 1 1 6  20 36 o 52.604  2.5501 28.070   1.8787  54.571  3.2761 50.638  3.9089 3.933437       5.100234 
1 1 1 6  20 38 o 39.748  4.3102 16.893   2.1180  41.948  4.1098 37.548  7.5776 4.399574       8.620378 
1 1 1 6  20 40 o 41.922  3.0709 17.986   1.8147  41.519  4.1522 42.326  4.5257 -0.8063278     6.141862 
1 1 1 6  20 42 o 42.773  3.3669 19.361   1.9279  44.570  3.7248 40.975  5.6097 3.594166       6.733723 
1 1 1 6  20 44 o 18.911  4.6243 2.5625   1.8815  24.107  6.6668 13.715  6.4101 10.39229       9.248552 
1 1 1 6  20 46 o 13.643  4.4444 -1.9115  1.9714  13.483  6.0192 13.804  6.5406 -0.3214827     8.888773 
1 1 1 6  20 48 o 29.499  4.6979 10.714   1.8964  27.781  6.3425 31.217  6.9321 -3.436237      9.395800 
1 1 1 6  21 1  o 453.659 3.2447 2059.93  20.803  456.011 4.6767 451.307 4.4990 4.703796       6.489401 
1 1 1 6  21 3  o 455.468 3.1433 2073.47  20.168  462.357 4.6401 448.580 4.2417 13.77710       6.286692 
1 1 1 6  21 5  o 126.140 1.7180 159.125  3.0635  127.177 2.4601 125.104 2.3988 2.073563       3.436018 
1 1 1 6  21 7  o 236.702 1.9091 560.317  6.3691  237.654 2.8210 235.749 2.5730 1.904404       3.818177 
1 1 1 6  21 9  o 110.066 1.5821 121.147  2.4479  110.353 2.3723 109.778 2.0939 0.5751343      3.164161 
1 1 1 6  21 11 f 209.102 1.9663 437.575  5.8041  208.579 2.8775 209.625 2.6804 -1.046494      3.932543 
1 1 1 6  21 13 o 174.519 1.6759 303.341  4.0468  177.727 2.6226 171.310 2.0872 6.416763       3.351801 
1 1 1 6  21 15 o 255.098 2.0461 651.592  7.3680  253.452 2.9979 256.744 2.7854 -3.292282      4.092139 
1 1 1 6  21 17 o 136.232 1.6336 184.874  3.0648  138.448 2.5827 134.016 2.0010 4.431808       3.267153 
1 1 1 6  21 19 o 28.090  4.7824 8.1815   1.8701  30.468  6.8700 25.712  6.6550 4.756107       9.564811 
1 1 1 6  21 21 o 115.830 1.6891 134.001  2.6921  116.672 2.6816 114.988 2.0545 1.684105       3.378177 
1 1 1 6  21 23 f 142.039 1.6688 201.938  3.3518  142.824 2.3694 141.254 2.3505 1.570648       3.337526 
1 1 1 6  21 25 o 106.812 1.6075 112.740  2.3658  111.964 2.5092 101.660 2.0098 10.30421       3.214904 
1 1 1 6  21 27 o 101.161 1.7056 102.152  2.3843  102.375 2.6819 99.947  2.1082 2.428436       3.411284 
1 1 1 6  21 29 o 85.583  1.8133 71.507   2.0188  90.199  3.0439 80.967  1.9715 9.231903       3.626601 
1 1 1 6  21 31 o 17.864  4.9249 1.8996   1.6761  21.178  7.8877 14.549  5.8993 6.628489       9.849716 
1 1 1 6  21 33 f 60.948  2.4553 37.358   2.0897  61.031  3.1386 60.865  3.7766 0.1655884      4.910511 
1 1 1 6  21 35 o 59.171  2.3752 35.136   1.9464  58.099  2.9673 60.242  3.7096 -2.143314      4.750383 
1 1 1 6  21 37 o 48.118  3.7199 23.887   2.2583  48.952  3.6522 47.285  6.4816 1.666889       7.439753 
1 1 1 6  21 39 o 16.341  4.7773 1.0877   1.7308  14.376  6.0360 18.307  7.4065 -3.930982      9.554592 
1 1 1 6  21 41 o 16.734  5.0447 0.5688   2.0587  14.024  6.2541 19.443  7.9172 -5.418786      10.08938 
1 1 1 6  21 43 o 23.481  5.3705 5.7058   2.1469  16.806  6.8920 30.156  8.2383 -13.34971      10.74101 
1 1 1 6  21 45 o 17.336  5.0964 1.7073   2.0157  13.995  6.1992 20.677  8.0909 -6.682217      10.19282 
1 1 1 6  21 47 o 18.959  5.1211 3.6862   2.0813  21.481  7.1288 16.436  7.3540 5.044416       10.24214 
1 1 1 6  22 0  o 53.465  3.6164 28.988   3.8310  53.465  3.6164 ?       ?      0.000000       0.000000 
1 1 1 6  22 2  o 112.898 1.6597 127.501  2.6494  113.209 2.3688 112.588 2.3252 0.6210709      3.319315 
1 1 1 6  22 4  o 177.880 1.7137 316.610  4.3097  179.389 2.3848 176.372 2.4617 3.016327       3.427427 
1 1 1 6  22 6  o 266.134 2.0635 708.487  7.7356  267.013 3.0609 265.256 2.7682 1.757050       4.126953 
1 1 1 6  22 8  o 186.324 1.7844 347.346  4.6754  186.318 2.6730 186.330 2.3644 -0.1170349E-01 3.568708 
1 1 1 6  22 10 o 383.896 2.6714 1475.41  14.471  384.667 3.9173 383.125 3.6331 1.541229       5.342763 
1 1 1 6  22 12 o 160.857 1.7138 259.301  3.8036  159.872 2.7158 161.841 2.0910 -1.968567      3.427515 
1 1 1 6  22 14 o 200.567 1.8275 401.943  5.1333  202.386 2.7763 198.748 2.3773 3.637634       3.655085 
1 1 1 6  22 16 o 176.113 1.8001 310.546  4.4467  175.434 2.7297 176.793 2.3475 -1.358643      3.600289 
1 1 1 6  22 18 o 226.379 2.0741 512.782  6.6349  228.826 2.9857 223.932 2.8798 4.893250       4.148222 
1 1 1 6  22 20 o 231.619 2.1693 533.324  6.8577  236.943 3.4762 226.295 2.5958 10.64761       4.338502 
1 1 1 6  22 22 o 269.555 2.7935 727.124  10.166  267.910 3.2174 271.199 4.5675 -3.289398      5.586929 
1 1 1 6  22 24 o 196.411 2.0065 385.621  5.4955  198.505 3.0879 194.316 2.5630 4.188721       4.012992 
1 1 1 6  22 26 o 142.219 1.6901 202.534  3.3540  142.201 2.6043 142.236 2.1547 -0.3581238E-01 3.380126 
1 1 1 6  22 28 o 63.138  2.1082 39.174   1.8181  67.299  3.3207 58.977  2.5983 8.322266       4.216418 
1 1 1 6  22 30 o 42.295  4.2861 18.887   1.8772  40.473  8.0153 44.116  3.0394 -3.643082      8.572198 
1 1 1 6  22 32 o 71.831  1.8340 51.996   1.8495  68.801  2.7841 74.861  2.3882 -6.059593      3.668066 
1 1 1 6  22 34 o 60.914  2.7561 37.991   2.2117  62.923  2.9427 58.904  4.6611 4.018990       5.512292 
1 1 1 6  22 36 o 92.963  2.1240 87.096   2.6505  92.933  2.4047 92.992  3.5018 -0.5905151E-01 4.247935 
1 1 1 6  22 38 o 23.784  5.0198 6.1364   1.8192  23.147  7.2228 24.421  6.9733 -1.274366      10.03967 
1 1 1 6  22 40 o 18.803  5.1992 2.7536   2.0352  19.884  7.3216 17.721  7.3838 2.162891       10.39844 
1 1 1 6  22 42 o 22.723  5.0103 5.8569   1.8181  24.632  6.2170 20.814  7.8587 3.817898       10.02050 
1 1 1 6  22 44 o 22.171  5.6612 5.6292   2.2520  22.653  7.2450 21.690  8.7010 0.9634075      11.32243 
1 1 1 6  22 46 o 16.914  4.8168 2.3647   1.8495  14.826  6.5553 19.002  7.0594 -4.175586      9.633582 
1 1 1 6  23 1  o 197.945 1.8253 392.039  5.1048  197.975 2.6446 197.916 2.5164 0.5897522E-01  3.650535 
1 1 1 6  23 3  o 55.848  2.3039 31.211   1.8192  56.476  3.2786 55.221  3.2376 1.255829       4.607764 
1 1 1 6  23 5  o 134.305 1.9223 180.130  3.5056  135.122 3.1188 133.488 2.2481 1.634567       3.844571 
1 1 1 6  23 7  o 133.949 1.6576 179.821  3.1169  132.276 2.5101 135.622 2.1657 -3.345520      3.315205 
1 1 1 6  23 9  o 137.969 1.6539 190.374  3.2165  138.636 2.4410 137.301 2.2322 1.334351       3.307725 
1 1 1 6  23 11 o 125.482 1.6953 157.779  2.9955  123.647 2.5303 127.317 2.2568 -3.669838      3.390514 
1 1 1 6  23 13 o 113.135 1.6008 128.250  2.5476  111.664 2.4016 114.605 2.1171 -2.940742      3.201533 
1 1 1 6  23 15 o 200.296 1.9414 400.788  5.4548  202.831 2.9276 197.760 2.5507 5.070496       3.882875 
1 1 1 6  23 17 o 60.962  2.1669 37.508   1.7520  59.743  3.6338 62.180  2.3618 -2.437553      4.333849 
1 1 1 6  23 19 o 87.625  2.1364 74.870   2.4294  92.399  3.5934 82.850  2.3120 9.548546       4.272895 
1 1 1 6  23 21 o 86.137  2.0219 74.181   2.3440  86.556  3.3195 85.718  2.3092 0.8381119      4.043712 
1 1 1 6  23 23 o 86.716  2.1471 75.049   2.4720  87.493  3.5759 85.938  2.3775 1.554253       4.294169 
1 1 1 6  23 25 o 132.950 1.8108 176.992  3.3407  133.141 2.8295 132.759 2.2605 0.3818817      3.621537 
1 1 1 6  23 27 o 86.741  2.0251 75.169   2.3882  87.729  3.2752 85.752  2.3827 1.977058       4.050175 
1 1 1 6  23 29 o 30.501  4.7844 9.7661   1.9500  30.958  7.6625 30.044  5.7313 0.9146366      9.568765 
1 1 1 6  23 31 o 59.570  2.3923 35.515   1.9865  60.875  3.6711 58.265  3.0684 2.609787       4.784557 
1 1 1 6  23 33 o 21.325  4.9956 4.5299   1.7553  21.692  7.1288 20.958  7.0004 0.7343578      9.991253 
1 1 1 6  23 35 f 26.201  5.0333 7.4805   1.8816  28.877  5.2821 23.526  8.5693 5.351011       10.06651 
1 1 1 6  23 37 o 61.603  2.8048 39.226   2.3735  65.238  3.3277 57.968  4.5160 7.270073       5.609622 
1 1 1 6  23 39 o 31.314  4.8655 11.110   2.1709  37.405  5.8038 25.223  7.8107 12.18221       9.730915 
1 1 1 6  23 41 o 43.698  3.1453 19.812   1.9218  40.946  4.2103 46.449  4.6738 -5.502331      6.290535 
1 1 1 6  23 43 o 50.801  3.3798 28.467   2.2348  55.445  3.4548 46.157  5.8099 9.287853       6.759514 
1 1 1 6  23 45 o 24.212  5.9924 7.8664   2.4519  23.455  7.6210 24.970  9.2496 -1.514915      11.98476 
1 1 1 6  23 47 o 27.080  5.0580 9.4651   2.0813  18.680  7.0355 35.480  7.2688 -16.80069      10.11603 
1 1 1 6  24 0  o 85.456  2.8462 73.300   4.8526  85.456  2.8462 ?       ?      0.000000       0.000000 
1 1 1 6  24 2  o 168.647 1.9154 284.470  4.5544  169.701 2.8219 167.593 2.5907 2.107620       3.830777 
1 1 1 6  24 4  o 113.599 1.6301 128.791  2.6039  115.871 2.4246 111.327 2.1795 4.543633       3.260183 
1 1 1 6  24 6  o 82.058  1.8426 67.272   2.1347  84.157  2.6555 79.960  2.5553 4.196739       3.685264 
1 1 1 6  24 8  o 183.429 1.8239 336.985  4.7215  181.024 2.6807 185.835 2.4738 -4.810349      3.647705 
1 1 1 6  24 10 f 221.021 1.9418 488.766  6.0550  221.750 2.8506 220.292 2.6376 1.458344       3.883649 
1 1 1 6  24 12 o 263.552 2.0751 695.490  7.7127  262.813 3.0612 264.290 2.8025 -1.476532      4.150254 
1 1 1 6  24 14 o 112.619 1.6750 126.664  2.6033  113.515 2.6437 111.723 2.0574 1.792053       3.349926 
1 1 1 6  24 16 o 75.675  2.0318 57.330   2.1634  75.754  3.0343 75.596  2.7028 0.1577301      4.063546 
1 1 1 6  24 18 o 146.634 2.0117 214.711  3.8909  147.609 3.3740 145.660 2.1918 1.949219       4.023403 
1 1 1 6  24 20 o 108.009 1.8816 116.523  2.7606  108.868 3.0498 107.149 2.2048 1.718925       3.763287 
1 1 1 6  24 22 o 260.891 2.3966 679.991  8.6929  264.858 3.7125 256.925 3.0319 7.933075       4.793284 
1 1 1 6  24 24 o 107.291 1.8142 115.997  2.6682  105.034 2.9179 109.548 2.1566 -4.514076      3.628380 
1 1 1 6  24 26 o 102.281 1.9438 104.880  2.8036  102.548 2.8641 102.013 2.6288 0.5358887      3.887659 
1 1 1 6  24 28 o 32.658  5.2911 11.357   2.3225  32.033  8.5913 33.283  6.1786 -1.249676      10.58228 
1 1 1 6  24 30 o 77.192  1.9868 60.094   2.1004  75.872  3.1979 78.513  2.3584 -2.640823      3.973521 
1 1 1 6  24 32 o 43.370  3.4271 18.880   2.0761  47.106  5.0152 39.634  4.6719 7.471699       6.854156 
1 1 1 6  24 34 o 59.338  2.5456 35.369   2.1156  62.380  3.7872 56.297  3.4025 6.083054       5.091210 
1 1 1 6  24 36 o 40.686  3.6064 17.106   2.0746  40.236  5.0781 41.135  5.1223 -0.8995247     7.212809 
1 1 1 6  24 38 o 19.605  5.1653 3.5589   1.9427  20.705  7.2396 18.505  7.3694 2.199574       10.33053 
1 1 1 6  24 40 o 30.888  5.5322 11.956   2.3610  37.429  4.4354 24.347  10.137 13.08232       11.06445 
1 1 1 6  24 42 o 34.803  4.7888 14.164   2.1180  36.885  4.6738 32.720  8.3597 4.165836       9.577499 
1 1 1 6  24 44 o 16.119  5.3104 -1.9402  2.9660  16.775  7.7533 15.464  7.2587 1.311331       10.62082 
1 1 1 6  24 46 o 14.706  4.5918 0.7402   1.8701  14.703  6.3664 14.710  6.6187 -0.6775856E-02 9.183613 
1 1 1 6  25 1  o 53.567  2.4875 28.739   1.8830  53.209  3.6000 53.926  3.4337 -0.7175026     4.974974 
1 1 1 6  25 3  o 134.379 1.7305 180.633  3.2855  133.573 2.3901 135.184 2.5033 -1.610596      3.461081 
1 1 1 6  25 5  o 52.164  2.6468 27.140   1.9218  53.196  4.0810 51.133  3.3715 2.062515       5.293546 
1 1 1 6  25 7  o 176.770 1.8019 312.856  4.4994  175.214 2.6238 178.326 2.4706 -3.112167      3.603892 
1 1 1 6  25 9  o 100.585 1.7793 101.404  2.5120  99.500  2.6952 101.669 2.3237 -2.168587      3.558584 
1 1 1 6  25 11 o 106.345 1.6169 112.397  2.3843  109.457 2.5084 103.233 2.0411 6.224464       3.233859 
1 1 1 6  25 13 o 58.249  2.5565 33.897   2.0993  60.160  3.7147 56.337  3.5134 3.822811       5.113014 
1 1 1 6  25 15 f 78.369  2.3831 61.341   2.3609  78.815  4.1317 77.924  2.3763 0.8911667      4.766275 
1 1 1 6  25 17 o 65.812  3.3582 43.199   3.0961  68.836  5.0089 62.787  4.4745 6.048851       6.716410 
1 1 1 6  25 19 o 133.052 1.9851 177.305  3.7350  133.410 2.8238 132.693 2.7909 0.7161865      3.970226 
1 1 1 6  25 21 o 79.907  2.0178 64.004   2.1454  79.797  3.3607 80.018  2.2343 -0.2206116     4.035609 
1 1 1 6  25 23 o 78.678  1.9788 61.972   2.1033  78.968  3.2343 78.388  2.2807 0.5797424      3.957537 
1 1 1 6  25 25 o 68.597  2.3998 46.675   2.1851  70.625  3.9780 66.570  2.6856 4.054985       4.799664 
1 1 1 6  25 27 o 29.790  5.3375 9.5439   2.2117  27.598  8.8217 31.981  6.0109 -4.383503      10.67491 
1 1 1 6  25 29 o 13.796  4.4862 -3.0648  1.9921  13.823  6.5856 13.770  6.0936 0.5281830E-01  8.972310 
1 1 1 6  25 31 o 66.578  2.4254 45.188   2.1892  64.245  3.9754 68.911  2.7797 -4.666519      4.850850 
1 1 1 6  25 33 o 24.361  5.1999 6.0373   2.0707  29.575  7.3607 19.147  7.3469 10.42833       10.39987 
1 1 1 6  25 35 o 32.053  4.1668 11.076   1.8147  28.928  6.7404 35.178  4.9007 -6.249680      8.333638 
1 1 1 6  25 37 f 36.076  4.4921 13.828   2.1907  31.330  6.1288 40.823  6.5691 -9.493298      8.984201 
1 1 1 6  25 39 o 40.405  4.9458 18.558   2.7396  42.055  6.2248 38.754  7.6874 3.301502       9.891621 
1 1 1 6  25 41 o 17.704  5.1511 2.2868   2.0707  17.202  7.1016 18.205  7.4635 -1.002586      10.30223 
1 1 1 6  25 43 o 15.062  4.7931 -0.8076  2.2123  15.929  6.7989 14.195  6.7578 1.734110       9.586116 
1 1 1 6  25 45 o 14.979  4.7578 0.2230   2.1271  15.577  6.7843 14.381  6.6725 1.196347       9.515670 
1 1 1 6  26 0  o 186.475 3.1179 348.240  11.621  186.475 3.1179 ?       ?      0.000000       0.000000 
1 1 1 6  26 2  o 129.673 2.1652 168.071  3.9217  128.482 2.7830 130.865 3.3178 -2.382095      4.330444 
1 1 1 6  26 4  o 157.867 1.9021 249.425  4.2439  158.410 2.7409 157.325 2.6380 1.085175       3.804167 
1 1 1 6  26 6  o 60.376  2.5512 36.575   2.1634  59.629  3.8548 61.122  3.3428 -1.493092      5.102383 
1 1 1 6  26 8  o 15.505  4.5010 0.6135   1.5975  14.999  6.5468 16.011  6.1785 -1.012329      9.001906 
1 1 1 6  26 10 o 187.479 2.0115 351.883  5.3267  186.941 2.7666 188.016 2.9206 -1.075195      4.022901 
1 1 1 6  26 12 o 216.602 1.9754 470.082  6.0053  215.887 2.9872 217.317 2.5855 -1.429977      3.950714 
1 1 1 6  26 14 o 115.334 1.7693 133.249  2.8506  115.044 2.7195 115.624 2.2641 -0.5799637     3.538673 
1 1 1 6  26 16 o 59.824  2.5649 35.219   2.0013  62.185  4.3125 57.464  2.7779 4.721073       5.129728 
1 1 1 6  26 18 o 39.494  3.8521 15.703   2.1347  43.202  5.1729 35.787  5.7093 7.414310       7.704246 
1 1 1 6  26 20 o 59.846  2.4872 35.721   2.0897  62.494  3.6781 57.198  3.3489 5.296524       4.974342 
1 1 1 6  26 22 o 145.242 2.0459 211.847  4.1527  144.194 3.1439 146.290 2.6188 -2.095322      4.091751 
1 1 1 6  26 24 o 205.891 2.0769 426.201  6.0323  200.033 3.0643 211.748 2.8043 -11.71558      4.153821 
1 1 1 6  26 26 o 51.348  2.9196 27.219   1.8973  48.836  5.0990 53.859  2.8452 -5.022434      5.839118 
1 1 1 6  26 28 o 50.090  2.8587 25.248   1.9702  50.719  4.5320 49.460  3.4856 1.259647       5.717391 
1 1 1 6  26 30 o 157.693 1.9413 251.226  4.1191  155.595 3.2008 159.791 2.1977 -4.196136      3.882699 
1 1 1 6  26 32 o 76.718  2.2517 59.774   2.3225  75.579  3.7172 77.857  2.5423 -2.277870      4.503430 
1 1 1 6  26 34 o 18.563  5.1436 1.1512   2.2024  14.073  6.5123 23.054  7.9636 -8.981167      10.28729 
1 1 1 6  26 36 o 33.240  4.5111 12.187   2.0113  34.468  6.9125 32.011  5.7981 2.456848       9.022225 
1 1 1 6  26 38 o 21.100  5.3705 4.3259   2.2117  23.857  7.1790 18.343  7.9895 5.513992       10.74103 
1 1 1 6  26 40 o 16.205  4.8720 0.6444   2.0511  17.798  7.0382 14.612  6.7386 3.186139       9.743958 
1 1 1 6  26 42 o 21.005  5.4338 5.4176   2.1051  20.555  7.5624 21.456  7.8047 -0.9011517     10.86757 
1 1 1 6  26 44 o 31.190  5.0303 12.751   2.1690  30.445  7.0534 31.934  7.1738 -1.489361      10.06050 
1 1 1 6  27 1  o 316.948 2.5356 1006.12  11.356  319.972 3.6518 313.924 3.5187 6.048187       5.071180 
1 1 1 6  27 3  o 274.307 2.3210 753.756  9.0011  274.289 3.3288 274.326 3.2353 -0.3677368E-01 4.642003 
1 1 1 6  27 5  o 97.474  1.8914 95.322   2.5540  96.609  2.9741 98.339  2.3374 -1.729713      3.782730 
1 1 1 6  27 7  o 170.475 1.9604 290.684  4.7111  168.260 2.6563 172.690 2.8840 -4.430054      3.920885 
1 1 1 6  27 9  o 236.769 2.1094 562.023  7.0519  233.672 3.0877 239.867 2.8749 -6.194611      4.218860 
1 1 1 6  27 11 o 99.244  1.9281 98.688   2.5386  99.116  3.2210 99.371  2.1204 -0.2547379     3.856277 
1 1 1 6  27 13 o 66.131  2.6720 43.962   2.3882  65.665  4.3757 66.598  3.0680 -0.9333572     5.344074 
1 1 1 6  27 15 o 158.406 2.0602 251.039  4.3571  158.897 3.4156 157.916 2.3047 0.9803009      4.120432 
1 1 1 6  27 17 o 161.207 2.0584 260.364  4.6911  163.417 2.9304 158.996 2.8914 4.421295       4.116734 
1 1 1 6  27 19 o 113.240 2.0339 128.600  3.2551  113.121 2.9351 113.359 2.8163 -0.2380447     4.067720 
1 1 1 6  27 21 o 64.420  2.3912 41.394   2.0318  65.399  4.0029 63.440  2.6168 1.958397       4.782376 
1 1 1 6  27 23 o 92.666  1.9413 85.736   2.4538  94.128  3.1203 91.203  2.3103 2.925484       3.882522 
1 1 1 6  27 25 o 66.373  2.5605 43.471   2.0992  68.417  4.4796 64.330  2.4814 4.087097       5.120960 
1 1 1 6  27 27 o 27.540  4.9168 8.2358   2.0318  22.047  8.4523 33.032  5.0257 -10.98561      9.833551 
1 1 1 6  27 29 o 30.845  5.3227 10.426   2.2321  29.125  8.8586 32.565  5.9034 -3.439669      10.64540 
1 1 1 6  27 31 o 28.892  4.9813 9.2177   1.9503  25.849  8.7310 31.936  4.7984 -6.086439      9.962691 
1 1 1 6  27 33 o 20.797  5.2767 4.2244   1.9711  19.397  7.1887 22.196  7.7264 -2.799349      10.55338 
1 1 1 6  27 35 o 27.081  5.1983 8.4502   2.0253  27.640  7.7657 26.521  6.9124 1.119717       10.39653 
1 1 1 6  27 37 o 31.854  4.8183 11.845   2.1051  30.035  7.2909 33.673  6.3012 -3.637165      9.636558 
1 1 1 6  27 39 o 26.012  4.6911 8.2346   1.8784  31.743  4.8275 20.280  8.0450 11.46331       9.382238 
1 1 1 6  27 41 o 19.529  5.3995 4.2179   2.1540  17.657  7.1643 21.401  8.0803 -3.744238      10.79894 
1 1 1 6  27 43 o 22.432  5.3167 6.8132   2.1634  26.513  7.4178 18.350  7.6187 8.163481       10.63342 
1 1 1 6  28 0  o 284.646 4.0170 812.050  22.858  284.646 4.0170 ?       ?      0.000000       0.000000 
1 1 1 6  28 2  o 194.882 2.2371 380.741  6.1601  197.001 3.0791 192.762 3.2461 4.238922       4.474161 
1 1 1 6  28 4  o 95.522  2.1950 91.240   2.8691  96.162  3.5191 94.883  2.6245 1.279312       4.390015 
1 1 1 6  28 6  f 109.648 1.8863 120.637  2.8768  108.642 2.9386 110.655 2.3658 -2.012726      3.772554 
1 1 1 6  28 8  o 125.391 1.7870 157.200  3.1345  126.496 2.7257 124.286 2.3118 2.209679       3.574089 
1 1 1 6  28 10 o 191.819 2.0133 368.549  5.4545  191.777 2.9299 191.862 2.7622 -0.8477783E-01 4.026650 
1 1 1 6  28 12 o 141.234 1.8416 199.952  3.6645  139.891 2.7386 142.577 2.4631 -2.685791      3.683287 
1 1 1 6  28 14 o 74.984  2.5964 55.482   2.5480  77.687  4.3560 72.281  2.8268 5.405403       5.192849 
1 1 1 6  28 16 o 15.025  4.9658 -4.1902  2.4247  16.729  7.7708 13.321  6.1849 3.408484       9.931663 
1 1 1 6  28 18 o 16.155  4.8886 0.0865   1.8784  17.566  7.5785 14.745  6.1773 2.820716       9.777198 
1 1 1 6  28 20 o 67.143  2.5068 45.403   2.3349  66.627  3.9291 67.658  3.1143 -1.030487      5.013659 
1 1 1 6  28 22 o 72.524  2.3003 53.089   2.2951  71.249  3.6743 73.799  2.7686 -2.550461      4.600598 
1 1 1 6  28 24 o 100.098 2.3604 100.973  3.2895  99.242  3.6673 100.954 2.9726 -1.711914      4.720719 
1 1 1 6  28 26 o 70.146  2.5316 49.506   2.3384  70.552  4.2536 69.741  2.7466 0.8107376      5.063287 
1 1 1 6  28 28 o 46.341  3.5462 20.869   2.1377  51.324  5.8471 41.357  4.0141 9.966167       7.092376 
1 1 1 6  28 30 o 43.328  3.7044 19.348   2.0691  43.281  6.3436 43.375  3.8273 -0.9382248E-01 7.408738 
1 1 1 6  28 32 o 15.727  4.9150 -0.2176  1.8346  17.171  7.9575 14.283  5.7712 2.888207       9.829955 
1 1 1 6  28 34 o 42.530  3.0822 18.900   1.8517  43.731  4.2342 41.329  4.4803 2.402065       6.164491 
1 1 1 6  28 36 f 34.627  4.7983 13.887   2.2626  35.526  6.8960 33.728  6.6739 1.798046       9.596642 
1 1 1 6  28 38 o 24.334  5.9059 7.3735   2.4247  23.290  7.8556 25.377  8.8210 -2.087488      11.81189 
1 1 1 6  28 40 o 33.428  4.5530 13.467   2.1051  36.949  5.8754 29.906  6.9570 7.043652       9.106032 
1 1 1 6  28 42 f 22.800  5.6621 7.3842   2.2520  23.605  7.1942 21.995  8.7454 1.609278       11.32430 
1 1 1 6  29 1  o 87.064  2.6456 75.901   3.2514  91.051  3.7167 83.077  3.7660 7.974609       5.291158 
1 1 1 6  29 3  o 81.828  3.1046 67.767   3.5089  84.746  3.7672 78.911  4.9358 5.835281       6.209170 
1 1 1 6  29 5  o 94.883  2.1172 90.120   2.8381  96.459  3.0449 93.308  2.9425 3.150932       4.234368 
1 1 1 6  29 7  o 75.075  2.3243 56.595   2.4479  74.170  3.5295 75.980  3.0253 -1.809601      4.648666 
1 1 1 6  29 9  o 82.451  2.2562 67.744   2.5618  84.278  3.5608 80.623  2.7719 3.655426       4.512474 
1 1 1 6  29 11 o 87.918  2.1974 77.382   2.6682  88.468  3.4643 87.368  2.7040 1.099586       4.394702 
1 1 1 6  29 13 o 55.851  2.9543 31.163   2.2951  57.640  4.5418 54.063  3.7793 3.576298       5.908545 
1 1 1 6  29 15 o 72.068  2.4229 52.183   2.4379  71.907  3.7294 72.230  3.0940 -0.3226471     4.845755 
1 1 1 6  29 17 o 107.003 2.3684 114.842  3.5471  105.915 3.0745 108.091 3.6033 -2.176346      4.736742 
1 1 1 6  29 19 o 135.318 2.2922 184.270  4.2658  134.524 3.6547 136.112 2.7677 -1.588821      4.584458 
1 1 1 6  29 21 o 82.561  2.2882 68.245   2.4917  83.208  3.8368 81.914  2.4944 1.294846       4.576313 
1 1 1 6  29 23 o 21.083  5.5342 3.2765   2.1844  20.204  8.7048 21.961  6.8362 -1.756876      11.06833 
1 1 1 6  29 25 o 63.699  2.8583 41.372   2.4538  62.363  4.7097 65.034  3.2399 -2.670635      5.716502 
1 1 1 6  29 27 o 44.547  4.4778 21.387   2.2695  42.154  8.1679 46.941  3.6726 -4.786381      8.955573 
1 1 1 6  29 29 o 26.594  5.7938 7.7533   2.4081  25.210  8.9072 27.978  7.4116 -2.768322      11.58754 
1 1 1 6  29 31 f 19.282  5.7071 1.9730   2.2843  23.104  9.3703 15.460  6.5179 7.643291       11.41425 
1 1 1 6  29 33 o 37.571  3.6651 15.002   1.9469  37.355  5.1278 37.787  5.2381 -0.4323349     7.330279 
1 1 1 6  29 35 o 58.350  2.5273 35.395   2.0707  56.666  3.8311 60.034  3.2971 -3.368183      5.054503 
1 1 1 6  29 37 o 37.154  4.0926 15.440   2.0897  40.952  5.6129 33.355  5.9575 7.597519       8.185142 
1 1 1 6  29 39 o 18.310  5.2153 3.4872   2.0629  18.889  7.6336 17.732  7.1080 1.157198       10.43054 
1 1 1 6  29 41 o 21.004  5.6665 5.9594   2.3837  18.071  7.5081 23.937  8.4892 -5.866217      11.33306 
1 1 1 6  30 0  o 278.074 3.3535 774.761  18.644  278.074 3.3535 ?       ?      0.000000       0.000000 
1 1 1 6  30 2  o 209.186 2.1475 438.617  6.3517  210.750 3.0600 207.622 3.0138 3.127991       4.294944 
1 1 1 6  30 4  o 142.458 1.9487 202.957  3.9141  139.182 2.6608 145.735 2.8478 -6.553543      3.897423 
1 1 1 6  30 6  o 129.739 2.0491 168.806  3.6891  129.530 3.2041 129.948 2.5550 -0.4178162     4.098103 
1 1 1 6  30 8  o 77.702  2.4588 60.956   2.6756  74.524  3.7698 80.881  3.1578 -6.357224      4.917628 
1 1 1 6  30 10 o 82.007  2.4256 67.600   2.8080  80.753  3.5581 83.261  3.2976 -2.507378      4.851164 
1 1 1 6  30 12 o 19.788  5.6572 1.9387   2.2754  21.553  8.9148 18.024  6.9672 3.529108       11.31442 
1 1 1 6  30 14 o 64.983  2.7484 42.463   2.5185  68.798  3.8051 61.167  3.9667 7.631531       5.496707 
1 1 1 6  30 16 o 40.959  4.6896 17.689   2.5824  36.334  7.6240 45.584  5.4628 -9.249432      9.379146 
1 1 1 6  30 18 o 35.680  5.0715 12.935   2.3264  37.317  8.5612 34.043  5.4392 3.274570       10.14294 
1 1 1 6  30 20 o 46.453  3.4508 21.608   2.2123  48.820  5.3623 44.087  4.3449 4.733696       6.901583 
1 1 1 6  30 22 o 29.030  5.3258 9.1397   2.1892  27.521  8.4616 30.539  6.4698 -3.018045      10.65168 
1 1 1 6  30 24 o 34.769  4.7376 12.470   2.1367  36.627  7.8956 32.911  5.2383 3.716557       9.475250 
1 1 1 6  30 26 o 22.070  5.4067 4.6483   1.8585  24.310  8.7836 19.830  6.3071 4.479799       10.81347 
1 1 1 6  30 28 o 48.895  3.4870 24.512   2.2227  49.833  5.8939 47.957  3.7280 1.876553       6.973909 
1 1 1 6  30 30 o 22.466  5.6084 5.2130   2.1727  22.043  8.8160 22.890  6.9348 -0.8471680     11.21672 
1 1 1 6  30 32 o 25.038  5.8472 7.1160   2.2902  26.465  9.2200 23.611  7.1938 2.853716       11.69440 
1 1 1 6  30 34 o 21.619  5.3973 4.9803   2.1709  18.082  7.4467 25.157  7.8148 -7.075293      10.79465 
1 1 1 6  30 36 o 17.632  5.3193 0.6778   2.4836  13.886  6.5343 21.378  8.3955 -7.491175      10.63870 
1 1 1 6  30 38 f 21.930  5.6383 6.0893   2.4196  18.526  7.8774 25.334  8.0691 -6.807983      11.27668 
1 1 1 6  31 1  o 107.709 2.3057 116.454  3.5106  107.479 3.2080 107.938 3.3127 -0.4590302     4.611385 
1 1 1 6  31 3  o 114.883 2.2521 132.168  3.5846  115.971 3.5237 113.796 2.8055 2.174286       4.504106 
1 1 1 6  31 5  f 100.782 2.3063 101.489  3.2632  97.364  3.0822 104.199 3.4315 -6.835083      4.612528 
1 1 1 6  31 7  o 36.301  4.8386 13.792   2.3837  37.539  7.0631 35.063  6.6154 2.475224       9.677299 
1 1 1 6  31 9  o 129.941 2.0359 169.204  3.7131  131.183 3.0664 128.698 2.6791 2.484787       4.071879 
1 1 1 6  31 11 o 91.145  2.6878 83.221   3.0964  91.827  4.6588 90.464  2.6821 1.363083       5.375651 
1 1 1 6  31 13 o 62.031  3.0724 38.730   2.6437  62.585  4.7951 61.478  3.8428 1.106815       6.144886 
1 1 1 6  31 15 o 41.203  4.1582 17.109   2.3994  43.379  6.1820 39.026  5.5627 4.352837       8.316306 
1 1 1 6  31 17 f 79.295  2.4404 63.720   2.5109  78.125  4.1682 80.465  2.5393 -2.340034      4.880723 
1 1 1 6  31 19 o 22.476  5.2942 4.8919   1.9646  21.445  8.3196 23.508  6.5498 -2.063404      10.58846 
1 1 1 6  31 21 o 43.908  4.1650 19.907   2.3264  43.375  7.2131 44.442  4.1665 -1.066856      8.330010 
1 1 1 6  31 23 o 20.350  5.6552 2.8250   2.1899  23.832  9.0749 16.867  6.7507 6.965765       11.31046 
1 1 1 6  31 25 o 33.450  4.8814 12.183   2.1454  31.924  8.3177 34.976  5.1116 -3.051453      9.762790 
1 1 1 6  31 27 o 34.589  5.1494 13.122   2.3650  39.241  7.7610 29.936  6.7698 9.304169       10.29873 
1 1 1 6  31 29 o 16.771  5.3617 -0.4236  2.2675  19.618  8.7940 13.925  6.1366 5.693480       10.72346 
1 1 1 6  31 31 o 20.861  6.1540 3.2653   2.5170  22.898  10.162 18.823  6.9442 4.074850       12.30791 
1 1 1 6  31 33 o 27.530  5.5891 9.4038   2.2915  26.869  8.2446 28.191  7.5483 -1.322016      11.17815 
1 1 1 6  31 35 o 26.853  5.1972 9.0471   2.0629  24.337  7.9703 29.369  6.6723 -5.032280      10.39443 
1 1 1 6  31 37 o 15.597  5.0462 -0.2554  2.4099  16.668  7.6587 14.526  6.5727 2.142650       10.09235 
1 1 1 6  32 0  o 168.781 2.6496 285.539  8.9391  168.781 2.6496 ?       ?      0.000000       0.000000 
1 1 1 6  32 2  o 125.029 1.9681 156.875  3.4796  125.254 2.8037 124.803 2.7627 0.4514160      3.936157 
1 1 1 6  32 4  o 112.822 2.1260 127.761  3.3648  113.182 3.2156 112.461 2.7820 0.7204361      4.252012 
1 1 1 6  32 6  o 64.495  2.7030 41.828   2.4379  64.950  4.1289 64.040  3.4896 0.9096680      5.406026 
1 1 1 6  32 8  o 58.820  2.7552 35.039   2.2447  57.260  4.3489 60.379  3.3840 -3.119385      5.510363 
1 1 1 6  32 10 o 113.174 2.2073 128.652  3.4700  113.148 3.4423 113.201 2.7638 -0.5300903E-01 4.414534 
1 1 1 6  32 12 o 77.768  2.7584 60.784   3.0164  76.129  3.6903 79.406  4.1009 -3.277237      5.516887 
1 1 1 6  32 14 o 30.229  4.7973 10.098   2.1156  22.621  8.1503 37.837  5.0625 -15.21605      9.594614 
1 1 1 6  32 16 o 75.181  3.4672 58.189   3.0648  73.474  6.2569 76.888  2.9896 -3.413460      6.934452 
1 1 1 6  32 18 o 62.352  2.9857 38.662   2.4917  65.527  4.8721 59.177  3.4527 6.349518       5.971487 
1 1 1 6  32 20 o 60.548  3.0374 37.586   2.4053  59.421  5.1578 61.675  3.2093 -2.254105      6.074775 
1 1 1 6  32 22 o 67.168  3.0260 45.669   2.6338  68.279  5.1433 66.058  3.1897 2.221291       6.052077 
1 1 1 6  32 24 o 29.425  5.5360 9.8856   2.4789  23.955  9.6154 34.895  5.4894 -10.93936      11.07202 
1 1 1 6  32 26 o 31.009  6.1838 10.470   2.3155  33.289  10.945 28.730  5.7593 4.559370       12.36768 
1 1 1 6  32 28 f 22.226  5.7825 5.0825   2.2714  24.087  9.0284 20.365  7.2277 3.721649       11.56506 
1 1 1 6  32 30 o 33.212  5.3437 13.044   2.4081  34.889  8.1850 31.536  6.8723 3.352648       10.68747 
1 1 1 6  32 32 o 37.916  5.6452 18.002   2.4507  33.922  10.453 41.910  4.2659 -7.988029      11.29031 
1 1 1 6  32 34 o 26.100  4.9719 8.5560   2.0432  32.430  6.5296 19.769  7.4996 12.66115       9.943872 
1 1 1 6  32 36 o 21.717  5.7977 6.4784   2.4312  21.388  8.6506 22.046  7.7214 -0.6584663     11.59537 
1 1 1 6  33 1  o 155.234 1.9631 241.456  4.2983  152.322 2.6828 158.146 2.8666 -5.823914      3.926134 
1 1 1 6  33 3  o 180.319 2.0432 326.665  5.1989  178.509 3.0046 182.129 2.7696 -3.620071      4.086317 
1 1 1 6  33 5  o 156.683 2.1768 246.661  4.8154  156.598 3.1803 156.769 2.9732 -0.1711273     4.353684 
1 1 1 6  33 7  o 74.648  2.6042 56.188   2.7456  72.424  3.7910 76.872  3.5716 -4.447845      5.208451 
1 1 1 6  33 9  o 92.966  2.3147 87.080   3.0164  92.541  3.5189 93.391  3.0082 -0.8500824     4.629450 
1 1 1 6  33 11 o 110.387 2.2698 122.689  3.5411  107.748 3.2000 113.025 3.2201 -5.276176      4.539679 
1 1 1 6  33 13 o 111.932 2.1647 126.104  3.3918  112.208 3.3004 111.655 2.8021 0.5531235      4.329473 
1 1 1 6  33 15 o 60.146  3.3680 37.109   2.7383  58.900  5.5287 61.392  3.8482 -2.492023      6.736069 
1 1 1 6  33 17 o 49.031  3.8646 24.808   2.6033  48.577  6.1778 49.486  4.6450 -0.9093475     7.729238 
1 1 1 6  33 19 o 58.754  3.1873 34.126   2.3936  62.523  5.4125 54.984  3.3676 7.539570       6.374646 
1 1 1 6  33 21 o 29.211  5.8805 9.6862   2.6450  25.171  9.6215 33.252  6.7636 -8.081923      11.76093 
1 1 1 6  33 23 o 22.640  5.4277 5.4602   1.9832  23.284  8.5607 21.995  6.6749 1.288889       10.85542 
1 1 1 6  33 25 f 24.880  5.2575 6.4058   2.4758  17.822  8.0201 31.937  6.8001 -14.11530      10.51493 
1 1 1 6  33 27 o 17.949  5.5523 0.6811   2.6072  18.915  8.3684 16.984  7.2995 1.930487       11.10466 
1 1 1 6  33 29 o 21.138  5.9500 4.2567   2.3837  23.442  9.5891 18.835  7.0470 4.607365       11.90007 
1 1 1 6  33 31 o 23.525  6.2349 6.3996   2.3900  27.069  10.329 19.980  6.9855 7.088848       12.46974 
1 1 1 6  33 33 o 21.842  5.3385 6.1864   2.0108  22.489  7.6210 21.196  7.4778 1.292309       10.67695 
1 1 1 6  33 35 o 17.067  5.0961 2.1576   2.0813  20.760  8.1770 13.374  6.0841 7.386092       10.19214 
1 1 1 6  34 0  o 32.635  8.1504 12.642   4.5972  32.635  8.1504 ?       ?      0.000000       0.000000 
1 1 1 6  34 2  o 37.142  4.3152 14.171   2.2662  37.472  6.1343 36.813  6.0707 0.6589432      8.630325 
1 1 1 6  34 4  o 77.283  2.5753 60.395   2.8080  75.655  3.7979 78.911  3.4793 -3.256538      5.150664 
1 1 1 6  34 6  o 140.452 2.3091 198.629  4.5151  141.019 3.5770 139.885 2.9213 1.133392       4.618279 
1 1 1 6  34 8  o 51.338  3.3485 26.844   2.4246  50.320  4.9487 52.356  4.5123 -2.036175      6.697047 
1 1 1 6  34 10 f 67.337  2.8200 46.006   2.6802  66.272  4.1428 68.402  3.8272 -2.129745      5.640073 
1 1 1 6  34 12 o 77.531  2.6192 60.655   2.7606  78.352  4.2376 76.711  3.0797 1.640259       5.238481 
1 1 1 6  34 14 o 26.598  6.2991 6.6757   2.8410  23.999  10.431 29.196  7.0645 -5.196661      12.59816 
1 1 1 6  34 16 o 63.291  3.3694 39.022   2.6953  69.187  5.7218 57.395  3.5599 11.79177       6.738810 
1 1 1 6  34 18 o 43.696  4.7438 20.325   2.6919  44.141  7.9571 43.251  5.1670 0.8899803      9.487532 
1 1 1 6  34 20 o 49.637  3.8347 25.315   2.5297  52.880  6.2788 46.394  4.4040 6.485802       7.669341 
1 1 1 6  34 22 o 33.735  5.5747 12.811   2.3936  35.398  9.3999 32.072  5.9957 3.325291       11.14932 
1 1 1 6  34 24 o 18.866  5.5471 2.1104   2.3440  20.982  8.5916 16.750  7.0191 4.232183       11.09428 
1 1 1 6  34 26 f 30.088  5.8574 10.928   2.3397  29.465  10.164 30.711  5.8245 -1.246109      11.71480 
1 1 1 6  34 28 o 25.997  6.3283 8.5560   2.7372  25.729  10.011 26.265  7.7446 -0.5357361     12.65665 
1 1 1 6  34 30 o 21.994  6.3908 5.1777   2.9255  25.044  10.195 18.945  7.7088 6.098785       12.78168 
1 1 1 6  34 32 o 16.559  5.3332 0.4648   2.5317  18.101  8.3406 15.018  6.6488 3.082907       10.66638 
1 1 1 6  35 1  o 102.772 2.2188 106.573  3.2241  102.421 3.1794 103.123 3.0959 -0.7016068     4.437667 
1 1 1 6  35 3  o 122.343 2.1887 150.987  3.7282  122.312 3.3932 122.374 2.7653 -0.6185150E-01 4.377308 
1 1 1 6  35 5  o 99.300  2.7711 98.953   3.5413  101.188 4.7326 97.412  2.8840 3.775475       5.542105 
1 1 1 6  35 7  o 47.916  4.0266 23.437   2.6291  49.508  6.4485 46.325  4.8241 3.183067       8.053280 
1 1 1 6  35 9  o 84.242  2.6321 72.161   3.1274  82.056  3.8907 86.428  3.5461 -4.372177      5.264222 
1 1 1 6  35 11 o 92.393  2.3531 86.285   3.0316  93.475  3.6203 91.311  3.0068 2.164337       4.706112 
1 1 1 6  35 13 o 31.348  6.2049 11.056   2.7692  30.391  10.171 32.306  7.1097 -1.914907      12.40980 
1 1 1 6  35 15 o 47.343  4.0406 23.773   2.5182  45.751  6.8385 48.935  4.3059 -3.183727      8.081176 
1 1 1 6  35 17 o 77.135  2.9706 62.225   3.0880  74.138  4.9090 80.132  3.3466 -5.993706      5.941265 
1 1 1 6  35 19 o 51.527  3.7109 28.227   2.4121  50.311  6.4725 52.744  3.6317 -2.432899      7.421790 
1 1 1 6  35 21 o 54.660  3.7958 32.517   2.6450  51.204  6.6090 58.116  3.7355 -6.912556      7.591655 
1 1 1 6  35 23 o 29.906  6.4958 11.070   2.7655  31.558  10.693 28.254  7.3782 3.304081       12.99165 
1 1 1 6  35 25 o 20.023  5.7106 2.0814   2.7383  17.871  8.5086 22.174  7.6190 -4.302597      11.42121 
1 1 1 6  35 27 o 14.672  4.7343 -1.3799  2.1213  14.898  7.1118 14.446  6.2511 0.4522152      9.468586 
1 1 1 6  35 29 o 17.102  5.2934 1.2209   2.4294  16.895  7.9076 17.309  7.0392 -0.4140968     10.58680 
1 1 1 6  35 31 o 22.701  6.0756 7.3067   2.6651  21.808  9.4674 23.593  7.6171 -1.785000      12.15115 
1 1 1 6  36 0  o 39.750  8.8353 18.517   6.1296  39.750  8.8353 ?       ?      0.000000       0.000000 
1 1 1 6  36 2  o 71.932  2.8688 53.288   2.8506  68.524  4.5658 75.340  3.4747 -6.816261      5.737637 
1 1 1 6  36 4  o 83.438  2.9497 71.053   3.4725  82.526  4.0233 84.351  4.3147 -1.824860      5.899422 
1 1 1 6  36 6  o 30.946  8.1548 9.5316   4.1682  26.598  9.3126 35.294  13.389 -8.695572      16.30951 
1 1 1 6  36 8  o 43.310  5.1953 20.880   2.9996  35.946  8.6238 50.674  5.7961 -14.72827      10.39061 
1 1 1 6  36 10 o 34.734  6.0718 13.899   2.9605  35.073  8.9019 34.394  8.2599 0.6784897      12.14368 
1 1 1 6  36 12 o 26.041  6.2277 7.5014   2.8381  29.423  8.7191 22.658  8.8945 6.764605       12.45535 
1 1 1 6  36 14 o 19.907  5.7810 1.9304   2.7396  17.456  7.8519 22.358  8.4868 -4.902060      11.56193 
1 1 1 6  36 16 o 17.493  5.4026 0.3071   2.5120  18.112  7.8925 16.873  7.3796 1.239258       10.80514 
1 1 1 6  36 18 o 18.427  5.6825 0.6356   2.6832  19.138  8.6405 17.716  7.3828 1.421875       11.36500 
1 1 1 6  36 20 o 42.768  5.3985 21.362   3.1465  44.318  8.3736 41.217  6.8161 3.100475       10.79704 
1 1 1 6  36 22 o 27.710  6.1854 9.6356   2.6643  26.905  9.8311 28.516  7.5089 -1.611320      12.37071 
1 1 1 6  36 24 o 26.535  5.8724 8.8899   2.3576  26.992  9.3258 26.077  7.1393 0.9149361      11.74477 
1 1 1 6  36 26 o 23.187  5.8901 6.5979   2.4689  21.798  9.3831 24.576  7.1226 -2.778389      11.78024 
1 1 1 6  36 28 o 20.217  5.6920 4.3447   2.5798  18.586  8.5644 21.848  7.4997 -3.262482      11.38399 
1 1 1 6  37 1  o 36.776  4.7796 14.701   2.3843  37.873  7.5165 35.678  5.9058 2.195110       9.559111 
1 1 1 6  37 3  o 32.278  6.3334 12.414   2.9955  33.248  8.5850 31.309  9.3136 1.938847       12.66674 
1 1 1 6  37 5  o 26.044  6.3007 7.3215   2.8378  30.670  9.4666 21.417  8.3173 9.253574       12.60140 
1 1 1 6  37 7  o 35.150  5.3443 14.101   2.5761  38.038  7.4846 32.263  7.6307 5.774944       10.68862 
1 1 1 6  37 9  o 40.116  4.8855 18.489   2.4758  35.323  8.5708 44.909  4.6919 -9.586105      9.770994 
1 1 1 6  37 11 o 38.498  5.3758 16.630   2.7119  39.271  8.9724 37.724  5.9239 1.546585       10.75163 
1 1 1 6  37 13 o 22.637  5.9695 5.2925   2.4437  24.027  9.3056 21.247  7.4796 2.780317       11.93898 
1 1 1 6  37 15 o 24.651  6.1087 6.9297   2.5848  25.105  9.2595 24.197  7.9703 0.9075623      12.21737 
1 1 1 6  37 17 o 22.299  5.9689 4.9905   2.7383  19.886  8.6809 24.713  8.1948 -4.827242      11.93788 
1 1 1 6  37 19 o 22.736  5.6925 5.8046   2.2754  21.772  8.9486 23.700  7.0385 -1.927570      11.38496 
1 1 1 6  37 21 o 41.639  5.4336 22.114   2.6689  34.672  9.9652 48.606  4.3350 -13.93346      10.86729 
1 1 1 6  37 23 o 33.208  5.3744 15.153   2.4545  24.461  9.8010 41.956  4.4134 -17.49483      10.74882 
1 1 1 6  37 25 o 24.064  6.2649 8.0872   2.6919  25.957  9.6986 22.171  7.9330 3.786123       12.52982 
1 1 1 6  37 27 o 30.765  5.8059 14.131   2.7347  24.959  10.082 36.570  5.7617 -11.61087      11.61179 
1 1 1 6  38 0  o 18.161  10.468 5.2357   6.0019  18.161  10.468 ?       ?      0.000000       0.000000 
1 1 1 6  38 2  o 32.094  6.5802 12.731   3.1525  32.914  9.5371 31.273  9.0688 1.641195       13.16050 
1 1 1 6  38 4  o 17.749  5.6922 -1.2770  2.9996  18.968  8.5981 16.529  7.4617 2.438725       11.38433 
1 1 1 6  38 6  o 28.616  6.2185 9.8330   2.7655  25.933  10.336 31.299  6.9167 -5.366127      12.43696 
1 1 1 6  38 8  o 62.114  3.0161 40.110   2.6402  63.499  4.4243 60.729  4.1004 2.769844       6.032271 
1 1 1 6  38 10 o 33.980  6.0690 14.125   2.9149  32.341  9.3457 35.619  7.7452 -3.277786      12.13799 
1 1 1 6  38 12 o 29.718  5.9441 11.079   2.6309  27.786  9.0374 31.649  7.7236 -3.863365      11.88820 
1 1 1 6  38 14 o 30.578  5.8520 11.634   2.5586  28.405  9.6211 32.752  6.6649 -4.347158      11.70409 
1 1 1 6  38 16 o 28.298  6.1469 10.291   2.7692  25.323  9.9093 31.273  7.2763 -5.950409      12.29379 
1 1 1 6  38 18 o 22.660  6.1098 5.5221   2.9358  19.906  8.8619 25.413  8.4134 -5.506365      12.21956 
1 1 1 6  38 20 o 23.269  6.0909 6.6052   2.5100  23.789  9.6932 22.749  7.3782 1.039434       12.18183 
1 1 1 6  38 22 o 20.578  5.9648 4.5905   2.8229  19.651  8.9307 21.506  7.9093 -1.855755      11.92958 
1 1 1 6  38 24 o 31.750  6.4142 14.669   2.8847  35.175  10.034 28.326  7.9931 6.849211       12.82834 
1 1 1 6  39 1  o 71.965  3.0386 53.838   3.0411  76.028  4.6190 67.902  3.9494 8.126892       6.077280 
1 1 1 6  39 3  f 42.732  4.9484 20.397   2.9140  46.326  7.5806 39.138  6.3626 7.188072       9.896874 
1 1 1 6  39 5  o 28.544  5.9661 9.8992   2.4973  31.894  9.1375 25.195  7.6735 6.699640       11.93217 
1 1 1 6  39 7  o 17.645  5.4356 0.2292   2.6402  15.949  7.3912 19.340  7.9720 -3.391162      10.87120 
1 1 1 6  39 9  o 22.611  5.8503 5.6786   2.4053  22.362  8.9799 22.860  7.5010 -0.4975262     11.70058 
1 1 1 6  39 11 o 41.133  4.2141 18.589   2.3440  41.935  6.8517 40.330  4.9079 1.604870       8.428104 
1 1 1 6  39 13 o 26.400  5.8794 8.8752   2.6072  22.713  9.0927 30.087  7.4561 -7.374054      11.75884 
1 1 1 6  39 15 o 23.781  6.4521 7.0249   2.9779  24.287  9.8220 23.276  8.3695 1.011620       12.90428 
1 1 1 6  39 17 f 26.586  6.2158 9.6542   2.7583  24.728  9.6514 28.445  7.8354 -3.716787      12.43154 
1 1 1 6  39 19 o 35.734  6.0624 17.264   2.8847  36.502  9.8973 34.965  7.0038 1.536842       12.12471 
1 1 1 6  39 21 f 16.327  5.4229 -0.9532  2.9900  17.857  8.3992 14.798  6.8619 3.059746       10.84584 
1 1 1 6  40 0  o 75.288  4.0100 58.615   6.0019  75.288  4.0100 ?       ?      0.000000       0.000000 
1 1 1 6  40 2  f 78.975  3.0862 66.078   3.4373  80.967  4.4950 76.982  4.2300 3.985176       6.172372 
1 1 1 6  40 4  o 59.918  3.7017 39.825   2.9140  55.716  6.3030 64.120  3.8836 -8.404308      7.403410 
1 1 1 6  40 6  o 32.674  6.3257 14.153   3.0299  30.674  9.3521 34.674  8.5203 -3.999269      12.65134 
1 1 1 6  40 8  o 18.166  5.7452 0.6670   2.9140  19.929  8.8352 16.404  7.3464 3.524389       11.49046 
1 1 1 6  40 10 o 18.537  5.6447 1.9111   2.6921  18.204  8.1908 18.871  7.7694 -0.6661396     11.28945 
1 1 1 6  40 12 o 29.815  5.9439 10.893   2.5659  38.141  9.1447 21.488  7.5957 16.65289       11.88782 
1 1 1 6  40 14 o 24.481  6.6111 8.5762   3.0269  25.801  10.318 23.161  8.2682 2.639874       13.22217 
1 1 1 6  40 16 o 37.845  5.8518 19.537   2.9039  33.923  10.246 41.768  5.6562 -7.845402      11.70367 
1 1 1 6  40 18 o 33.811  6.0604 17.020   2.8894  28.726  10.673 38.896  5.7454 -10.17020      12.12083 
1 1 1 6  41 1  o 51.816  3.4940 29.188   2.5141  53.116  5.4095 50.516  4.4239 2.599483       6.988036 
1 1 1 6  41 3  o 21.357  6.1235 4.9633   2.8222  23.676  9.3428 19.037  7.9185 4.639402       12.24707 
1 1 1 6  41 5  o 19.280  5.8580 2.0473   2.9955  22.786  9.1049 15.774  7.3734 7.011218       11.71604 
1 1 1 6  41 7  o 17.924  5.5811 1.8098   2.7155  18.227  8.2335 17.621  7.5368 0.6063366      11.16218 
1 1 1 6  41 9  o 23.024  6.3732 7.3058   3.0245  24.937  9.3996 21.111  8.6091 3.826174       12.74637 
1 1 1 6  41 11 f 28.402  6.3676 12.156   3.0316  24.480  9.5601 32.324  8.4135 -7.844494      12.73511 
1 1 1 6  41 13 o 26.310  6.2241 10.035   2.5317  28.484  9.9690 24.136  7.4549 4.348137       12.44814 
1 1 1 6  41 15 o 21.641  6.2565 6.7411   3.0880  20.684  9.1021 22.598  8.5863 -1.914068      12.51292 
1 1 1 6  42 0  o 13.229  8.6648 1.5324   5.4911  13.229  8.6648 ?       ?      0.000000       0.000000 
1 1 1 6  42 2  f 18.173  5.6175 2.2856   2.8080  19.757  8.2724 16.589  7.6023 3.168070       11.23509 
1 1 1 6  42 4  o 14.212  4.8591 -4.8595  2.9275  14.643  7.1229 13.782  6.6112 0.8613634      9.718231 
1 1 1 6  42 6  o 19.911  5.9351 4.2197   2.9246  23.212  9.1584 16.609  7.5515 6.603470       11.87021 
1 1 1 6  42 8  o 17.010  5.5663 0.1019   3.1448  18.594  8.4337 15.427  7.2670 3.166802       11.13267 
1 1 1 7  1  0  o 665.594 5.7664 4431.73  76.748  665.594 5.7664 ?       ?      0.000000       0.000000 
1 1 1 7  1  2  o 1181.18 9.6171 13972.36 160.644 1186.60 13.603 1175.76 13.598 10.84302       19.23421 
1 1 1 7  1  4  o 384.138 2.7712 1472.26  14.835  379.531 3.5329 388.745 4.2704 -9.214142      5.542410 
1 1 1 7  1  6  o 217.093 1.6769 471.627  5.1302  215.592 2.4878 218.593 2.2491 -3.001144      3.353753 
1 1 1 7  1  8  o 425.081 2.9152 1806.14  16.930  424.113 3.4627 426.048 4.6908 -1.934753      5.830429 
1 1 1 7  1  10 o 280.682 2.0214 786.659  7.7739  279.108 2.4249 282.256 3.2349 -3.148529      4.042849 
1 1 1 7  1  12 o 125.698 1.7408 157.237  3.0806  132.884 2.4986 118.512 2.4245 14.37270       3.481512 
1 1 1 7  1  14 o 256.895 1.8834 659.610  6.7064  256.214 2.3425 257.575 2.9499 -1.360779      3.766887 
1 1 1 7  1  16 o 573.216 3.5902 3284.32  28.426  571.555 4.4127 574.877 5.6645 -3.321777      7.180388 
1 1 1 7  1  18 o 583.330 3.7268 3399.97  30.196  580.335 4.6760 586.324 5.8043 -5.989014      7.453546 
1 1 1 7  1  20 o 454.182 2.9190 2061.45  18.304  452.539 3.5838 455.826 4.6085 -3.287292      5.837970 
1 1 1 7  1  22 o 375.863 2.5167 1412.51  13.171  375.059 3.1835 376.668 3.8988 -1.609070      5.033444 
1 1 1 7  1  24 o 442.695 2.8588 1958.53  17.509  440.554 3.5363 444.836 4.4927 -4.281830      5.717538 
1 1 1 7  1  26 o 267.442 1.9811 715.206  7.3233  267.000 2.4392 267.884 3.1224 -0.8837585     3.962231 
1 1 1 7  1  28 o 247.694 2.0958 613.026  7.3289  252.740 3.0316 242.647 2.8946 10.09317       4.191538 
1 1 1 7  1  30 o 217.086 2.0442 473.487  5.9814  219.568 2.3264 214.605 3.3620 4.963470       4.088458 
1 1 1 7  1  32 o 203.967 1.7302 414.402  4.8197  200.997 2.0648 206.937 2.7769 -5.940063      3.460492 
1 1 1 7  1  34 o 65.060  1.6798 42.633   1.5297  68.251  2.1517 61.868  2.5801 6.383205       3.359581 
1 1 1 7  1  36 o 144.415 1.6923 208.791  3.0439  144.458 1.6354 144.372 2.9632 0.8634949E-01  3.384508 
1 1 1 7  1  38 o 43.165  2.8887 19.332   1.5717  46.006  2.7758 40.325  5.0669 5.680756       5.777372 
1 1 1 7  1  40 o 40.314  3.2513 15.857   1.7438  37.217  3.7743 43.411  5.2950 -6.193546      6.502540 
1 1 1 7  1  42 o 55.723  2.4214 31.356   1.6579  56.208  2.2719 55.239  4.2768 0.9689713      4.842832 
1 1 1 7  1  44 o 63.470  2.2151 40.718   1.8841  64.294  2.4827 62.646  3.6692 1.648609       4.430261 
1 1 1 7  1  46 o 80.724  1.9090 65.181   2.0318  79.580  2.0861 81.868  3.1977 -2.287422      3.817967 
1 1 1 7  1  48 o 41.463  4.1124 18.607   2.0691  43.885  3.7829 39.041  7.3031 4.843567       8.224717 
1 1 1 7  1  50 o 15.572  4.7909 -0.1026  1.8297  11.768  5.4107 19.375  7.9079 -7.606526      9.581758 
1 1 1 7  1  52 o 18.908  5.0779 3.4671   1.8964  19.666  6.9746 18.149  7.3821 1.516615       10.15578 
1 1 1 7  1  54 o 26.525  5.0010 8.9851   1.9218  28.605  6.2013 24.444  7.8475 4.160316       10.00196 
1 1 1 7  2  1  o 600.036 3.9562 3601.60  33.139  599.804 6.0891 600.268 5.0526 -0.4645386     7.912342 
1 1 1 7  2  3  o 1285.44 20.912 16585.92 537.621 1285.44 20.912 ?       ?      ?              ?        
1 1 1 7  2  5  o 537.528 3.4947 2881.97  25.832  532.071 4.2481 542.986 5.5503 -10.91461      6.989464 
1 1 1 7  2  7  o 476.112 3.6205 2261.66  22.362  473.523 3.8025 478.701 6.1623 -5.178528      7.241054 
1 1 1 7  2  9  o 368.053 2.4924 1350.64  12.571  364.066 2.9990 372.039 3.9817 -7.972473      4.984746 
1 1 1 7  2  11 o 705.535 4.2589 4982.28  42.492  707.243 5.9856 703.827 6.0600 3.416443       8.517715 
1 1 1 7  2  13 o 374.331 2.5027 1401.56  13.248  373.931 3.5175 374.732 3.5611 -0.8004150     5.005486 
1 1 1 7  2  15 f 716.848 4.3682 5140.82  44.278  707.587 6.2083 726.109 6.1467 -18.52167      8.736389 
1 1 1 7  2  17 o 465.699 3.0103 2166.63  19.782  472.749 4.3895 458.649 4.1207 14.09930       6.020660 
1 1 1 7  2  19 o 803.344 5.2186 6457.19  58.973  802.321 6.9316 804.366 7.8030 -2.045288      10.43717 
1 1 1 7  2  21 o 58.115  1.5930 33.775   1.3082  58.060  2.1995 58.170  2.3051 -0.1095963     3.186061 
1 1 1 7  2  23 o 124.576 1.3817 155.592  2.4246  128.292 1.8415 120.860 2.0604 7.432617       2.763363 
1 1 1 7  2  25 o 92.038  1.6393 84.836   2.0587  92.423  1.9344 91.654  2.6473 0.7687378      3.278692 
1 1 1 7  2  27 o 459.588 3.0160 2112.63  19.188  458.161 3.7349 461.014 4.7367 -2.852509      6.032072 
1 1 1 7  2  29 o 176.669 1.8439 313.375  4.5151  179.426 2.2775 173.913 2.9004 5.512238       3.687734 
1 1 1 7  2  31 o 157.236 1.8088 248.342  3.7646  158.699 1.9715 155.774 3.0332 2.924500       3.617584 
1 1 1 7  2  33 o 167.772 1.7078 279.386  3.8045  164.503 1.9019 171.040 2.8371 -6.536850      3.415627 
1 1 1 7  2  35 o 176.209 1.6664 310.651  4.0468  175.993 2.0317 176.425 2.6420 -0.4322510     3.332824 
1 1 1 7  2  37 o 96.815  1.4856 94.286   1.9865  98.804  1.8095 94.827  2.3567 3.977180       2.971213 
1 1 1 7  2  39 o 70.743  1.6936 50.112   1.6866  70.614  2.2606 70.872  2.5226 -0.2584991     3.387268 
1 1 1 7  2  41 o 31.278  3.7096 10.400   1.5085  34.728  3.8610 27.827  6.3354 6.901211       7.419204 
1 1 1 7  2  43 o 58.638  2.7290 35.849   1.9503  62.219  2.4629 55.058  4.8707 7.161083       5.458039 
1 1 1 7  2  45 o 36.283  3.5013 13.434   1.6857  36.588  3.8393 35.979  5.8564 0.6094170      7.002699 
1 1 1 7  2  47 o 62.425  2.2800 39.583   1.9279  63.161  2.6284 61.689  3.7262 1.472111       4.559908 
1 1 1 7  2  49 f 38.387  3.6436 15.631   1.8389  39.520  3.8775 37.255  6.1700 2.265366       7.287268 
1 1 1 7  2  51 f 45.777  3.0160 21.341   1.8297  42.456  3.4590 49.098  4.9418 -6.641495      6.032096 
1 1 1 7  2  53 o 44.275  3.6425 21.978   2.1240  48.376  3.8276 40.174  6.1984 8.201939       7.284976 
1 1 1 7  2  55 o 18.208  5.2083 3.5638   1.9332  16.429  6.4298 19.987  8.1952 -3.557745      10.41651 
1 1 1 7  3  0  o 777.795 9.7148 6054.94  151.070 777.795 9.7148 ?       ?      0.000000       0.000000 
1 1 1 7  3  4  o 620.105 5.6319 3847.80  49.388  622.509 7.9389 617.701 7.9903 4.808044       11.26371 
1 1 1 7  3  6  o 306.907 2.1625 941.993  9.3856  308.259 3.0656 305.555 3.0509 2.704071       4.325006 
1 1 1 7  3  8  o 421.078 2.7882 1773.17  16.589  422.841 4.0318 419.315 3.8525 3.527039       5.576487 
1 1 1 7  3  10 o 318.588 3.0888 1013.43  13.877  325.706 4.5089 311.471 4.2229 14.23471       6.177612 
1 1 1 7  3  12 o 275.600 1.9256 759.791  7.4990  274.765 2.7886 276.435 2.6562 -1.670105      3.851218 
1 1 1 7  3  14 o 551.574 5.7258 3013.90  36.312  544.056 4.8587 559.093 10.370 -15.03687      11.45153 
1 1 1 7  3  16 o 775.063 4.5929 6007.82  50.321  784.146 6.5630 765.981 6.4269 18.16492       9.185737 
1 1 1 7  3  18 o 729.863 4.3273 5329.56  44.663  732.742 6.0823 726.984 6.1568 5.757874       8.654538 
1 1 1 7  3  20 f 470.141 3.0155 2211.04  20.049  469.136 4.2872 471.147 4.2418 -2.010956      6.031027 
1 1 1 7  3  22 o 398.502 2.6104 1581.58  14.318  392.080 3.1919 404.924 4.1313 -12.84445      5.220737 
1 1 1 7  3  24 o 418.052 2.7850 1748.58  16.106  418.048 3.4365 418.056 4.3834 -0.7904053E-02 5.569912 
1 1 1 7  3  26 o 263.105 1.8899 693.965  6.8449  265.252 2.2868 260.958 3.0095 4.293732       3.779783 
1 1 1 7  3  28 o 260.180 1.9652 679.287  7.1320  264.363 2.4877 255.997 3.0429 8.365829       3.930393 
1 1 1 7  3  30 o 158.431 1.7485 251.742  3.8687  160.574 2.2268 156.288 2.6964 4.286163       3.497004 
1 1 1 7  3  32 o 181.850 1.6901 333.132  4.2008  186.095 1.9900 177.606 2.7323 8.489319       3.380145 
1 1 1 7  3  34 o 67.020  1.6581 44.925   1.5480  66.835  2.1018 67.206  2.5652 -0.3710175     3.316279 
1 1 1 7  3  36 o 119.710 1.4981 142.823  2.4732  117.778 1.8432 121.642 2.3621 -3.864105      2.996137 
1 1 1 7  3  38 o 84.466  1.6063 71.174   1.8964  82.850  2.0808 86.082  2.4477 -3.232239      3.212682 
1 1 1 7  3  40 o 84.175  1.7077 71.038   1.9702  84.351  2.0438 83.999  2.7365 0.3521652      3.415457 
1 1 1 7  3  42 o 65.886  1.8168 43.556   1.6914  66.277  2.5048 65.494  2.6322 0.7830276      3.633547 
1 1 1 7  3  44 o 22.586  4.6447 5.3073   1.5937  25.179  6.5370 19.993  6.6000 5.185314       9.289350 
1 1 1 7  3  46 o 31.069  4.0965 10.063   1.7274  30.360  5.0474 31.777  6.4536 -1.416170      8.193012 
1 1 1 7  3  48 o 63.828  3.1382 42.147   2.3263  64.745  2.6627 62.911  5.6836 1.834221       6.276410 
1 1 1 7  3  50 o 25.357  4.9238 7.4492   1.8112  27.663  5.5042 23.051  8.1657 4.611280       9.847553 
1 1 1 7  3  52 o 27.813  4.5498 9.5603   1.7618  33.936  4.1392 21.690  8.1036 12.24681       9.099541 
1 1 1 7  3  54 o 21.231  5.4995 5.5905   2.1851  22.370  7.1154 20.092  8.3875 2.277725       10.99904 
1 1 1 7  4  1  o 766.731 6.5317 5876.16  70.738  748.060 9.1074 785.402 9.3654 -37.34216      13.06346 
1 1 1 7  4  3  o 898.439 7.7290 8082.29  98.201  897.834 10.973 899.043 10.887 -1.208557      15.45793 
1 1 1 7  4  5  o 578.172 3.7766 3347.72  30.735  572.303 5.6453 584.041 5.0180 -11.73822      7.553166 
1 1 1 7  4  7  o 447.296 2.8612 1999.38  18.077  439.863 3.9629 454.728 4.1282 -14.86517      5.722431 
1 1 1 7  4  9  o 142.985 2.6794 195.347  4.3246  134.606 2.2769 151.363 4.8511 -16.75752      5.358863 
1 1 1 7  4  11 o 197.215 1.4881 388.891  4.1493  200.743 2.0993 193.686 2.1098 7.057327       2.976279 
1 1 1 7  4  13 o 218.263 3.2880 468.105  9.8374  205.009 4.0800 231.518 5.1573 -26.50847      6.576032 
1 1 1 7  4  15 o 776.369 4.5622 6029.56  50.080  772.032 6.3931 780.706 6.5101 -8.673950      9.124305 
1 1 1 7  4  17 o 443.221 2.8217 1964.81  17.687  443.177 3.9909 443.264 3.9901 -0.8642578E-01 5.643373 
1 1 1 7  4  19 o 133.475 1.6235 177.068  3.0316  138.258 2.4477 128.692 2.1334 9.565277       3.246935 
1 1 1 7  4  21 o 482.903 3.0251 2333.11  20.654  480.198 4.3347 485.608 4.2207 -5.410736      6.050127 
1 1 1 7  4  23 o 388.020 2.8743 1504.57  14.864  386.867 3.2019 389.172 4.7744 -2.305084      5.748606 
1 1 1 7  4  25 o 262.691 1.9612 690.170  7.0704  262.545 2.3590 262.837 3.1338 -0.2926941     3.922431 
1 1 1 7  4  27 f 382.340 2.6413 1461.61  13.838  381.139 3.1662 383.540 4.2285 -2.401581      5.282540 
1 1 1 7  4  29 o 369.665 2.6667 1370.19  13.632  372.089 3.2776 367.242 4.2075 4.846863       5.333454 
1 1 1 7  4  31 o 79.720  1.7621 63.731   1.7793  80.053  1.7547 79.387  3.0563 0.6660538      3.524203 
1 1 1 7  4  33 f 262.587 2.2017 687.860  7.8216  259.905 2.5549 265.268 3.5865 -5.362640      4.403457 
1 1 1 7  4  35 o 46.046  2.2141 21.295   1.4359  47.642  2.9485 44.449  3.3039 3.192703       4.428226 
1 1 1 7  4  37 o 139.109 1.5577 193.319  2.9573  138.214 1.8479 140.005 2.5083 -1.791656      3.115495 
1 1 1 7  4  39 f 71.401  1.8441 51.094   1.8318  71.505  2.3217 71.297  2.8658 0.2073135      3.688203 
1 1 1 7  4  41 o 55.704  2.2197 31.254   1.6861  56.310  2.6080 55.098  3.5925 1.212086       4.439322 
1 1 1 7  4  43 o 23.947  4.5613 6.0632   1.5860  25.306  5.9054 22.588  6.9534 2.718233       9.122670 
1 1 1 7  4  45 o 38.137  3.3401 14.868   1.7787  39.190  4.2361 37.085  5.1653 2.105152       6.680143 
1 1 1 7  4  47 o 71.498  2.0421 51.775   2.0113  72.259  2.4742 70.738  3.2495 1.521690       4.084207 
1 1 1 7  4  49 o 34.790  3.5458 12.259   1.6857  29.648  4.7380 39.933  5.2765 -10.28495      7.091588 
1 1 1 7  4  51 o 39.808  5.7292 17.191   2.2185  37.829  3.8821 41.787  10.781 -3.957478      11.45834 
1 1 1 7  4  53 o 37.097  6.1329 17.945   2.3293  41.404  3.7011 32.789  11.694 8.615292       12.26586 
1 1 1 7  4  55 o 16.679  5.1198 0.6673   2.2107  17.060  6.3861 16.298  8.0041 0.7621517      10.23952 
1 1 1 7  5  0  o 195.062 2.3903 380.676  9.3222  195.062 2.3903 ?       ?      0.000000       0.000000 
1 1 1 7  5  2  o 175.364 2.1671 306.931  5.0306  176.215 3.6234 174.512 2.3782 1.703033       4.334187 
1 1 1 7  5  4  o 692.412 5.9231 4795.62  57.959  705.021 8.4679 679.804 8.2842 25.21729       11.84619 
1 1 1 7  5  6  o 633.932 4.5741 4051.10  38.477  645.524 4.9951 622.341 7.6640 23.18237       9.148111 
1 1 1 7  5  8  f 292.655 2.2068 855.845  9.1087  289.517 2.9994 295.794 3.2379 -6.277618      4.413649 
1 1 1 7  5  10 o 287.392 2.0110 826.071  8.1724  290.812 2.8323 283.970 2.8556 6.841980       4.021979 
1 1 1 7  5  12 o 206.380 1.5535 425.627  4.5253  208.576 2.2653 204.184 2.1264 4.391830       3.106993 
1 1 1 7  5  14 o 840.429 4.9374 7067.66  58.678  835.934 7.0424 844.924 6.9222 -8.990662      9.874827 
1 1 1 7  5  16 o 786.114 4.9480 6182.40  54.608  786.819 7.4658 785.410 6.4955 1.408691       9.895970 
1 1 1 7  5  18 o 765.171 4.4846 5858.14  48.526  762.342 6.3822 768.001 6.3019 -5.659668      8.969179 
1 1 1 7  5  20 o 532.304 3.2791 2834.72  24.676  521.835 4.6863 542.774 4.5879 -20.93951      6.558184 
1 1 1 7  5  22 o 143.461 1.5131 205.997  3.0595  144.664 2.0303 142.259 2.2442 2.404984       3.026288 
1 1 1 7  5  24 o 207.882 1.6590 430.659  4.7686  204.832 2.0574 210.933 2.6033 -6.101227      3.318092 
1 1 1 7  5  26 o 363.967 2.4484 1325.57  12.435  364.041 3.1220 363.894 3.7725 0.1469421      4.896794 
1 1 1 7  5  28 o 177.380 1.7986 315.005  4.1975  177.685 1.9405 177.075 3.0289 0.6100311      3.597183 
1 1 1 7  5  30 o 279.062 2.3239 780.321  9.0663  280.597 2.9809 277.527 3.5661 3.069916       4.647882 
1 1 1 7  5  32 o 204.801 1.8656 419.088  5.1707  203.891 2.1608 205.711 3.0418 -1.819641      3.731178 
1 1 1 7  5  34 o 32.932  2.8117 11.065   1.2642  35.169  3.2680 30.696  4.5762 4.473190       5.623311 
1 1 1 7  5  36 f 49.456  2.3286 24.886   1.5937  53.914  2.8423 44.997  3.6894 8.916866       4.657275 
1 1 1 7  5  38 o 88.461  1.5087 78.209   1.8701  87.566  1.9688 89.355  2.2866 -1.788567      3.017390 
1 1 1 7  5  40 o 37.078  2.7306 13.562   1.4019  34.010  3.5671 40.146  4.1352 -6.135750      5.461165 
1 1 1 7  5  42 o 71.134  1.8056 51.235   1.7673  73.850  2.1615 68.419  2.8930 5.430328       3.611301 
1 1 1 7  5  44 o 67.886  1.9638 46.377   1.8830  68.833  2.6901 66.938  2.8616 1.894188       3.927516 
1 1 1 7  5  46 o 73.793  2.2049 54.580   2.1655  72.478  2.4667 75.108  3.6555 -2.630730      4.409893 
1 1 1 7  5  48 f 55.063  2.6056 31.625   1.9711  59.903  3.0911 50.223  4.1954 9.679863       5.211215 
1 1 1 7  5  50 o 33.989  4.5645 11.716   1.8412  29.633  4.5249 38.346  7.9288 -8.712547      9.129045 
1 1 1 7  5  52 o 15.161  4.9437 -1.3347  2.1377  11.949  5.5924 18.373  8.1538 -6.424277      9.887339 
1 1 1 7  5  54 o 17.944  5.1600 3.1709   1.8978  16.484  6.3274 19.404  8.1526 -2.920643      10.31990 
1 1 1 7  6  1  o 381.093 3.0749 1452.16  16.551  383.628 4.4606 378.558 4.2336 5.069641       6.149760 
1 1 1 7  6  3  o 362.285 2.7691 1312.64  14.146  362.853 4.0824 361.716 3.7422 1.137543       5.538120 
1 1 1 7  6  5  o 449.636 3.0162 2023.29  18.643  450.380 3.6435 448.892 4.8077 1.488373       6.032349 
1 1 1 7  6  7  o 576.583 3.6754 3327.31  29.340  577.281 4.5459 575.885 5.7765 1.395874       7.350730 
1 1 1 7  6  9  o 491.711 3.2578 2418.62  22.108  491.362 3.9893 492.061 5.1515 -0.6995850     6.515597 
1 1 1 7  6  11 f 127.810 1.2922 163.574  2.3266  129.534 1.7252 126.086 1.9243 3.447670       2.584472 
1 1 1 7  6  13 f 1056.70 9.6592 11203.54 114.650 1059.05 7.8196 1054.35 17.665 4.705444       19.31849 
1 1 1 7  6  15 o 907.538 5.7276 8232.00  72.699  901.006 7.3984 914.069 8.7456 -13.06256      11.45519 
1 1 1 7  6  17 o 330.535 2.6039 1084.42  11.978  342.447 3.9901 318.624 3.3466 23.82391       5.207741 
1 1 1 7  6  19 o 246.198 1.7987 606.604  6.2567  241.906 2.6131 250.491 2.4725 -8.584915      3.597455 
1 1 1 7  6  21 o 451.238 2.8628 2037.35  18.253  449.486 4.1479 452.989 3.9467 -3.502808      5.725528 
1 1 1 7  6  23 o 283.451 1.9512 803.558  7.8205  285.285 2.7753 281.616 2.7434 3.669922       3.902373 
1 1 1 7  6  25 o 22.858  3.0713 5.3805   0.9535  21.341  4.3396 24.375  4.3475 -3.034903      6.142696 
1 1 1 7  6  27 o 120.147 1.4284 144.299  2.4246  124.238 2.0044 116.055 2.0356 8.182495       2.856787 
1 1 1 7  6  29 o 289.976 2.2919 839.803  9.1293  287.767 2.7735 292.185 3.6494 -4.417328      4.583743 
1 1 1 7  6  31 f 85.693  1.9266 73.838   2.0523  86.417  1.8472 84.968  3.3816 1.449326       3.853205 
1 1 1 7  6  33 o 241.368 1.9955 582.537  6.6663  240.261 2.4715 242.475 3.1336 -2.213730      3.990971 
1 1 1 7  6  35 o 112.352 1.5129 126.888  2.3003  113.816 1.7391 110.887 2.4760 2.929314       3.025732 
1 1 1 7  6  37 o 38.057  3.3172 14.377   1.6578  37.089  3.6153 39.025  5.5629 -1.936523      6.634438 
1 1 1 7  6  39 o 97.902  1.9726 94.659   2.4094  95.429  1.9404 100.375 3.4350 -4.946098      3.945193 
1 1 1 7  6  41 o 20.348  4.5545 4.0135   1.5480  23.087  6.0220 17.609  6.8344 5.478621       9.109045 
1 1 1 7  6  43 o 76.598  1.9590 58.683   1.9646  75.963  2.1014 77.234  3.3069 -1.270195      3.918054 
1 1 1 7  6  45 o 16.960  4.6960 1.7950   1.6192  17.029  6.1397 16.891  7.1073 0.1371193      9.392044 
1 1 1 7  6  47 o 85.799  2.2448 74.662   2.6072  86.278  2.5902 85.319  3.6670 0.9586182      4.489556 
1 1 1 7  6  49 o 38.811  4.1267 16.926   1.9454  42.675  3.7405 34.947  7.3570 7.728531       8.253308 
1 1 1 7  6  51 o 20.167  5.4030 4.0013   1.9832  17.599  6.6427 22.735  8.5232 -5.136103      10.80606 
1 1 1 7  6  53 o 22.436  5.3655 5.9062   1.8437  20.305  6.2819 24.567  8.7002 -4.262283      10.73109 
1 1 1 7  6  55 o 15.467  4.9917 0.2231   2.2275  14.403  6.2420 16.532  7.7913 -2.129345      9.983369 
1 1 1 7  7  0  o 31.840  1.6131 10.216   1.0216  31.840  1.6131 ?       ?      0.000000       0.000000 
1 1 1 7  7  2  o 388.482 2.7249 1510.24  14.895  389.942 3.6187 387.022 4.0750 2.920898       5.449833 
1 1 1 7  7  4  o 190.129 1.4492 361.488  3.8907  189.861 1.9842 190.397 2.1127 -0.5362854     2.898378 
1 1 1 7  7  6  o 306.527 2.0989 939.603  9.0959  304.559 2.9351 308.494 3.0011 -3.934753      4.197799 
1 1 1 7  7  8  o 103.717 1.1054 107.905  1.5554  104.672 1.2810 102.762 1.8019 1.910408       2.210840 
1 1 1 7  7  10 o 386.575 2.7650 1495.70  15.089  390.204 3.7636 382.947 4.0516 7.256592       5.529947 
1 1 1 7  7  12 o 230.379 1.8211 530.834  5.7570  230.451 2.1888 230.308 2.9110 0.1436157      3.642115 
1 1 1 7  7  14 f 239.550 1.8358 573.656  6.0410  239.206 2.2155 239.894 2.9278 -0.6879578     3.671544 
1 1 1 7  7  16 o 577.664 3.5749 3338.15  28.365  577.798 4.3098 577.529 5.7048 0.2693481      7.149733 
1 1 1 7  7  18 o 472.146 3.0951 2229.55  20.052  471.896 3.7209 472.397 4.9470 -0.5003052     6.190125 
1 1 1 7  7  20 o 375.456 2.4590 1414.69  12.860  381.826 3.0936 369.087 3.8232 12.73819       4.918082 
1 1 1 7  7  22 o 502.208 3.1818 2528.29  22.215  506.463 3.9839 497.954 4.9623 8.509552       6.363634 
1 1 1 7  7  24 f 310.296 2.2017 967.290  9.4941  316.625 2.7426 303.967 3.4449 12.65805       4.403330 
1 1 1 7  7  26 o 100.198 1.4422 99.897   1.9256  98.896  1.6141 101.499 2.3905 -2.603172      2.884379 
1 1 1 7  7  28 o 337.435 2.8590 1138.48  12.318  336.615 2.9022 338.255 4.9268 -1.639496      5.717993 
1 1 1 7  7  30 o 103.841 1.6132 108.560  2.1851  105.267 1.6984 102.415 2.7432 2.851860       3.226362 
1 1 1 7  7  32 o 246.400 2.2915 605.918  7.1512  244.990 2.2935 247.811 3.9679 -2.821701      4.583076 
1 1 1 7  7  34 o 167.776 2.0328 283.967  4.2061  169.947 1.9161 165.606 3.5857 4.340866       4.065535 
1 1 1 7  7  36 o 282.505 2.4573 810.160  8.9511  289.963 2.5103 275.047 4.2250 14.91531       4.914504 
1 1 1 7  7  38 o 103.784 1.9368 109.163  2.5150  105.958 1.8681 101.610 3.3933 4.348106       3.873504 
1 1 1 7  7  40 o 18.605  4.4999 2.9121   1.4241  14.574  5.7174 22.637  6.9504 -8.062864      8.999784 
1 1 1 7  7  42 o 51.029  2.2895 25.931   1.5524  49.954  2.5564 52.103  3.7989 -2.148853      4.578976 
1 1 1 7  7  44 o 58.968  2.5474 35.816   1.9714  61.936  2.6804 55.999  4.3328 5.936451       5.094813 
1 1 1 7  7  46 o 17.109  4.5909 2.0908   1.5524  17.940  6.0250 16.279  6.9287 1.661238       9.181860 
1 1 1 7  7  48 o 32.552  4.7355 12.039   2.0587  36.094  4.9532 29.011  8.0726 7.082577       9.471075 
1 1 1 7  7  50 o 31.217  4.7289 11.236   1.9933  33.889  5.0870 28.544  7.9732 5.344791       9.457758 
1 1 1 7  7  52 o 18.286  5.2483 2.0357   2.0507  13.129  5.9335 23.443  8.6585 -10.31373      10.49651 
1 1 1 7  7  54 o 13.972  4.4388 -1.6430  2.0013  15.320  6.3542 12.624  6.1996 2.696701       8.877574 
1 1 1 7  8  1  o 670.137 4.1907 4493.98  39.712  662.961 5.9424 677.312 5.9108 -14.35052      8.381465 
1 1 1 7  8  3  o 194.949 1.5866 380.033  4.3717  194.147 2.2035 195.751 2.2833 -1.603882      3.173111 
1 1 1 7  8  5  o 202.431 1.6171 409.353  4.6184  205.331 2.3633 199.530 2.2080 5.801147       3.234294 
1 1 1 7  8  7  o 277.820 1.9912 771.311  7.8059  280.897 2.9096 274.743 2.7191 6.154694       3.982328 
1 1 1 7  8  9  f 141.809 1.2597 201.289  2.5185  140.322 1.8656 143.295 1.6932 -2.972229      2.519433 
1 1 1 7  8  11 o 914.026 6.4128 8374.70  76.623  917.143 6.8157 910.908 10.865 6.234497       12.82564 
1 1 1 7  8  13 o 1037.74 6.3495 10740.30 89.867  1025.99 7.5364 1049.49 10.221 -23.50830      12.69908 
1 1 1 7  8  15 o 341.746 2.3596 1163.99  11.019  337.848 2.8160 345.643 3.7869 -7.795715      4.719186 
1 1 1 7  8  17 o 193.608 2.2659 373.465  6.1277  197.595 3.4576 189.620 2.9295 7.974716       4.531777 
1 1 1 7  8  19 o 33.385  2.3191 11.148   1.0817  29.464  3.4673 37.305  3.0808 -7.840656      4.638265 
1 1 1 7  8  21 o 64.547  1.9713 41.745   1.7855  70.382  2.6309 58.711  2.9364 11.67158       3.942544 
1 1 1 7  8  23 o 280.469 1.9459 785.633  7.5258  278.795 2.3818 282.143 3.0778 -3.347198      3.891750 
1 1 1 7  8  25 o 231.741 1.8425 536.819  5.9198  230.979 2.2944 232.503 2.8835 -1.523575      3.684980 
1 1 1 7  8  27 o 34.821  4.2141 11.729   1.4285  33.129  2.8910 36.514  7.9169 -3.384335      8.428226 
1 1 1 7  8  29 o 139.966 1.6799 196.421  3.1312  140.711 1.8605 139.221 2.7976 1.489929       3.359770 
1 1 1 7  8  31 o 299.105 2.7254 893.899  9.9148  298.090 2.5275 300.121 4.8294 -2.031616      5.450832 
1 1 1 7  8  33 o 110.900 1.7611 123.670  2.4463  111.846 1.7126 109.955 3.0777 1.891502       3.522123 
1 1 1 7  8  35 o 106.633 1.5942 114.755  2.3193  109.581 1.8646 103.684 2.5864 5.897179       3.188450 
1 1 1 7  8  37 o 74.180  1.8248 55.591   1.8571  76.603  2.1672 71.757  2.9364 4.845978       3.649527 
1 1 1 7  8  39 o 154.092 1.8916 240.341  3.8045  157.447 1.9871 150.738 3.2193 6.709000       3.783156 
1 1 1 7  8  41 o 45.565  2.4446 20.912   1.5480  45.941  3.0576 45.189  3.8150 0.7521019      4.889122 
1 1 1 7  8  43 o 18.862  4.6517 3.1819   1.4898  16.226  5.9778 21.498  7.1288 -5.272137      9.303418 
1 1 1 7  8  45 o 42.791  3.2490 18.487   1.7793  42.049  3.3407 43.532  5.5736 -1.483368      6.498067 
1 1 1 7  8  47 o 28.462  4.4080 8.9036   1.6861  29.079  5.2417 27.845  7.0884 1.234211       8.815953 
1 1 1 7  8  49 o 19.028  4.9108 3.5331   1.7027  17.253  6.5096 20.803  7.3544 -3.549660      9.821534 
1 1 1 7  8  51 o 19.173  5.4439 2.5984   2.2117  14.658  6.4676 23.688  8.7586 -9.029663      10.88772 
1 1 1 7  8  53 o 20.448  5.6211 4.7512   2.0572  17.863  6.5515 23.032  9.1359 -5.169144      11.24214 
1 1 1 7  9  0  o 297.765 3.0027 887.010  17.878  297.765 3.0027 ?       ?      0.000000       0.000000 
1 1 1 7  9  2  o 700.675 4.3298 4912.16  42.889  690.255 6.0867 711.095 6.1597 -20.84033      8.659657 
1 1 1 7  9  4  o 373.019 2.5366 1392.18  13.375  370.296 3.6555 375.742 3.5176 -5.446075      5.073101 
1 1 1 7  9  6  o 293.355 2.2199 860.054  9.1501  295.103 3.3320 291.607 2.9341 3.496460       4.439740 
1 1 1 7  9  8  o 97.667  1.1343 95.361   1.5585  97.928  1.6952 97.406  1.5077 0.5225754      2.268675 
1 1 1 7  9  10 o 292.990 2.1139 858.807  8.7307  291.921 3.1278 294.059 2.8445 -2.138306      4.227754 
1 1 1 7  9  12 o 1125.67 7.9864 12728.49 122.607 1137.15 9.3882 1114.19 12.923 22.95654       15.97288 
1 1 1 7  9  14 o 1020.33 6.1769 10448.29 87.331  1032.47 7.6314 1008.20 9.7150 24.26453       12.35390 
1 1 1 7  9  16 o 513.198 3.3043 2635.95  23.414  514.276 4.0475 512.120 5.2240 2.156433       6.608532 
1 1 1 7  9  18 o 195.094 2.5064 380.143  6.8367  196.742 3.8296 193.446 3.2347 3.296417       5.012851 
1 1 1 7  9  20 o 135.480 1.5560 184.132  2.9687  141.630 2.0738 129.329 2.3204 12.30118       3.112067 
1 1 1 7  9  22 o 469.091 3.0662 2204.84  19.900  471.647 3.7770 466.535 4.8312 5.112366       6.132408 
1 1 1 7  9  24 o 115.960 1.3295 134.815  2.1634  118.026 1.7312 113.894 2.0182 4.132118       2.658969 
1 1 1 7  9  26 o 204.666 1.6674 418.599  4.7036  203.850 2.0359 205.482 2.6412 -1.632767      3.334854 
1 1 1 7  9  28 o 27.300  3.4734 7.8249   1.2738  31.131  3.8969 23.468  5.7507 7.663155       6.946700 
1 1 1 7  9  30 o 114.629 1.6211 131.524  2.3083  114.729 1.5583 114.529 2.8433 0.1999054      3.242296 
1 1 1 7  9  32 o 252.691 2.2598 639.778  7.2198  253.055 2.2456 252.326 3.9222 0.7297211      4.519602 
1 1 1 7  9  34 o 192.993 1.9639 375.364  4.8566  195.458 1.9927 190.527 3.3848 4.930969       3.927773 
1 1 1 7  9  36 o 226.262 2.0218 515.355  5.9896  228.879 2.1481 223.646 3.4260 5.232559       4.043697 
1 1 1 7  9  38 o 63.590  1.9303 40.365   1.6861  62.659  2.3437 64.521  3.0678 -1.862488      3.860609 
1 1 1 7  9  40 o 68.124  2.1385 46.411   1.9933  67.230  2.5643 69.018  3.4230 -1.787819      4.276926 
1 1 1 7  9  42 o 85.362  1.7440 73.120   2.0157  85.446  2.0176 85.278  2.8452 0.1680298      3.487949 
1 1 1 7  9  44 o 23.202  4.5617 5.6472   1.7027  28.181  5.6369 18.224  7.1737 9.957323       9.123415 
1 1 1 7  9  46 o 52.575  2.5734 27.590   1.7618  50.668  2.7724 54.482  4.3363 -3.813938      5.146782 
1 1 1 7  9  48 o 24.278  5.1857 6.3160   1.8297  20.025  6.4570 28.531  8.1162 -8.506763      10.37135 
1 1 1 7  9  50 o 36.157  3.7699 14.005   1.8623  35.234  4.5304 37.080  6.0270 -1.845055      7.539808 
1 1 1 7  9  52 o 16.450  4.9983 1.3109   1.8816  13.472  5.8553 19.427  8.1023 -5.954613      9.996540 
1 1 1 7  9  54 o 19.163  5.2623 4.3179   1.9714  16.234  6.5716 22.093  8.2207 -5.859821      10.52454 
1 1 1 7  10 1  o 385.058 2.5793 1482.40  14.040  379.148 3.6207 390.967 3.6746 -11.81836      5.158680 
1 1 1 7  10 3  o 491.083 3.1858 2409.95  22.080  497.946 4.6418 484.219 4.3647 13.72711       6.371571 
1 1 1 7  10 5  o 617.294 3.8614 3809.83  33.689  606.591 5.4104 627.998 5.5107 -21.40723      7.722713 
1 1 1 7  10 7  o 215.769 1.7792 465.618  5.4243  215.561 2.5770 215.976 2.4538 -0.4150696     3.558361 
1 1 1 7  10 9  o 455.179 2.9265 2072.31  18.835  448.614 4.1702 461.743 4.1070 -13.12854      5.853015 
1 1 1 7  10 11 o 375.033 2.7045 1405.77  14.200  376.577 4.1202 373.489 3.5046 3.088074       5.409091 
1 1 1 7  10 13 o 534.924 3.3888 2858.07  25.569  544.035 4.9528 525.812 4.6266 18.22369       6.777549 
1 1 1 7  10 15 o 776.976 4.7628 6041.40  50.970  777.198 5.7919 776.755 7.5625 0.4432983      9.525661 
1 1 1 7  10 17 o 205.131 1.8060 421.030  5.2357  209.458 2.4997 200.805 2.6074 8.653198       3.612029 
1 1 1 7  10 19 o 544.940 3.4163 2975.50  25.755  547.885 4.2071 541.995 5.3837 5.889404       6.832593 
1 1 1 7  10 21 o 810.566 4.9432 6567.56  55.000  804.556 5.9680 816.575 7.8819 -12.01953      9.886358 
1 1 1 7  10 23 o 119.172 1.8833 140.483  3.0674  123.505 2.9985 114.840 2.2796 8.665543       3.766647 
1 1 1 7  10 25 o 164.406 1.7902 270.392  4.1257  164.459 2.7177 164.353 2.3310 0.1059875      3.580421 
1 1 1 7  10 27 o 229.992 1.9781 529.254  6.3812  229.809 2.5839 230.175 2.9959 -0.3656311     3.956285 
1 1 1 7  10 29 o 256.810 2.3600 661.677  8.0806  258.269 2.6206 255.352 3.9258 2.917252       4.720074 
1 1 1 7  10 31 o 244.713 2.3380 600.280  7.0955  245.223 2.2392 244.204 4.1050 1.018570       4.676009 
1 1 1 7  10 33 o 144.897 1.8186 210.633  3.2837  145.470 1.7557 144.324 3.1854 1.145844       3.637174 
1 1 1 7  10 35 o 111.785 1.4938 124.753  2.2566  110.975 1.7261 112.594 2.4385 -1.619797      2.987549 
1 1 1 7  10 37 o 105.818 1.6298 113.165  2.2520  107.992 1.7146 103.644 2.7722 4.347893       3.259648 
1 1 1 7  10 39 f 36.014  3.3357 13.115   1.6866  36.653  4.3551 35.375  5.0538 1.277142       6.671436 
1 1 1 7  10 41 o 32.753  4.4993 10.881   1.8648  31.604  4.6467 33.902  7.7061 -2.298086      8.998664 
1 1 1 7  10 43 o 36.810  3.7931 13.590   1.9279  34.163  4.8594 39.458  5.8255 -5.294903      7.586242 
1 1 1 7  10 45 o 28.870  5.3529 8.7566   1.9721  27.186  5.5936 30.554  9.1282 -3.367958      10.70576 
1 1 1 7  10 47 o 15.802  4.7934 -0.0064  1.8112  11.728  5.3999 19.876  7.9215 -8.148438      9.586901 
1 1 1 7  10 49 o 33.386  4.4114 12.387   1.9702  34.134  5.0505 32.638  7.2342 1.496376       8.822791 
1 1 1 7  10 51 o 19.478  5.4371 3.5701   2.0987  16.631  6.7114 22.325  8.5559 -5.693846      10.87415 
1 1 1 7  10 53 o 14.937  4.7953 -0.1045  1.9503  11.908  5.4957 17.965  7.8599 -6.056804      9.590612 
1 1 1 7  11 0  o 537.212 4.9810 2887.19  53.507  537.212 4.9810 ?       ?      0.000000       0.000000 
1 1 1 7  11 2  o 147.431 1.4698 217.290  3.0635  145.461 2.0631 149.402 2.0941 -3.940750      2.939675 
1 1 1 7  11 4  o 562.893 3.5733 3169.14  28.442  557.705 5.0489 568.081 5.0579 -10.37561      7.146571 
1 1 1 7  11 6  o 287.280 2.2082 825.408  8.9709  287.914 3.1048 286.647 3.1408 1.267090       4.416342 
1 1 1 7  11 8  o 493.329 3.2907 2431.66  22.900  499.742 4.8168 486.915 4.4847 12.82736       6.581374 
1 1 1 7  11 10 o 477.940 3.1741 2284.59  21.449  479.555 4.5402 476.326 4.4370 3.229706       6.348282 
1 1 1 7  11 12 o 793.724 4.7554 6303.19  53.376  798.153 6.7358 789.294 6.7143 8.858643       9.510705 
1 1 1 7  11 14 o 336.019 2.2639 1128.81  10.754  341.557 3.2154 330.481 3.1879 11.07593       4.527810 
1 1 1 7  11 16 o 289.413 2.0199 835.572  8.2330  296.404 2.9728 282.423 2.7356 13.98102       4.039886 
1 1 1 7  11 18 o 309.138 2.1737 957.020  9.3653  310.943 2.7516 307.333 3.3657 3.610413       4.347304 
1 1 1 7  11 20 o 328.725 2.2328 1081.08  10.177  328.855 2.7765 328.595 3.4976 0.2595520      4.465686 
1 1 1 7  11 22 o 301.244 2.2050 911.611  9.2592  307.868 2.7791 294.620 3.4242 13.24875       4.410051 
1 1 1 7  11 24 o 77.334  1.4406 59.636   1.5324  76.469  1.7535 78.198  2.2863 -1.728241      2.881258 
1 1 1 7  11 26 o 54.428  3.0560 30.334   1.7916  55.923  2.2835 52.934  5.6693 2.988686       6.111903 
1 1 1 7  11 28 o 45.801  2.3128 20.813   1.4835  43.158  3.1069 48.444  3.4268 -5.286762      4.625575 
1 1 1 7  11 30 o 119.410 2.5400 144.646  3.8805  122.498 2.5540 116.321 4.3913 6.177643       5.080056 
1 1 1 7  11 32 f 277.585 2.4895 773.832  8.9399  279.073 2.5854 276.098 4.2552 2.974823       4.979041 
1 1 1 7  11 34 o 401.404 3.2682 1611.30  16.560  398.519 3.2525 404.289 5.6698 -5.769958      6.536428 
1 1 1 7  11 36 o 59.195  2.0451 35.219   1.6625  59.858  2.4534 58.532  3.2726 1.326263       4.090111 
1 1 1 7  11 38 o 23.114  4.2555 5.6072   1.4018  22.595  5.8790 23.633  6.1542 -1.038036      8.510931 
1 1 1 7  11 40 o 65.160  2.5542 42.673   2.1851  65.097  2.7464 65.224  4.3074 -0.1268005     5.108419 
1 1 1 7  11 42 o 14.058  4.4180 -1.2074  1.7274  12.177  5.5686 15.939  6.8605 -3.761744      8.836075 
1 1 1 7  11 44 o 13.181  4.2470 -1.8389  1.6857  12.420  5.5411 13.941  6.4379 -1.521327      8.494082 
1 1 1 7  11 46 o 39.877  4.3570 17.472   1.9005  42.197  3.3289 37.557  8.0531 4.640709       8.714025 
1 1 1 7  11 48 o 66.589  2.6105 45.376   2.2407  65.903  2.7128 67.274  4.4608 -1.370766      5.220925 
1 1 1 7  11 50 o 22.045  5.1741 5.6600   1.8787  21.320  7.1288 22.770  7.5010 -1.450037      10.34819 
1 1 1 7  11 52 o 16.205  4.7484 -0.3175  2.1537  19.014  6.8340 13.395  6.5942 5.618932       9.496722 
1 1 1 7  12 1  o 243.118 1.9129 591.011  6.5741  244.352 2.7437 241.884 2.6661 2.467941       3.825714 
1 1 1 7  12 3  o 387.041 2.6426 1498.44  14.462  383.403 3.7804 390.679 3.6936 -7.275452      5.285267 
1 1 1 7  12 5  o 189.176 1.7660 357.728  4.7215  187.050 2.4578 191.302 2.5366 -4.252014      3.532011 
1 1 1 7  12 7  o 463.465 3.1565 2148.28  20.680  462.179 4.3932 464.751 4.5337 -2.572327      6.313087 
1 1 1 7  12 9  o 336.488 2.3551 1132.40  11.203  336.326 3.3793 336.650 3.2812 -0.3237915     4.710174 
1 1 1 7  12 11 o 666.761 4.2357 4447.54  39.931  665.223 5.9222 668.298 6.0574 -3.075012      8.471352 
1 1 1 7  12 13 o 138.037 1.7024 190.691  3.3190  139.864 2.3282 136.209 2.4845 3.654755       3.404888 
1 1 1 7  12 15 o 241.466 1.8794 583.164  6.4155  241.214 2.7000 241.718 2.6151 -0.5034637     3.758819 
1 1 1 7  12 17 o 141.226 1.5681 198.996  3.1078  143.553 2.3574 138.899 2.0686 4.653275       3.136289 
1 1 1 7  12 19 o 332.691 2.3084 1111.73  10.745  341.326 2.9556 324.056 3.5466 17.27008       4.616757 
1 1 1 7  12 21 o 369.334 2.5263 1356.93  12.729  362.472 3.0122 376.195 4.0565 -13.72290      5.052565 
1 1 1 7  12 23 o 119.197 1.6321 142.342  2.7441  121.849 2.2008 116.544 2.4106 5.304947       3.264159 
1 1 1 7  12 25 f 151.353 1.4824 229.107  3.1345  151.168 1.9007 151.538 2.2753 -0.3700256     2.964729 
1 1 1 7  12 27 o 121.708 1.4905 148.114  2.5285  121.372 1.8939 122.043 2.3020 -0.6708908     2.980916 
1 1 1 7  12 29 o 22.148  3.7658 4.8985   1.2246  15.740  5.5391 28.555  5.1034 -12.81485      7.531686 
1 1 1 7  12 31 o 79.348  1.8206 62.971   1.8475  79.245  1.8532 79.450  3.1342 -0.2050400     3.641126 
1 1 1 7  12 33 o 21.491  4.4013 4.7306   1.4019  22.097  5.5042 20.885  6.8695 1.212517       8.802628 
1 1 1 7  12 35 o 147.965 1.8323 218.990  3.3313  147.724 1.7289 148.205 3.2312 -0.4812927     3.664650 
1 1 1 7  12 37 o 117.233 1.8779 139.792  2.8651  121.049 1.9517 113.417 3.2089 7.632515       3.755827 
1 1 1 7  12 39 o 18.978  4.8497 2.5408   1.8164  21.769  6.6888 16.187  7.0241 5.581919       9.699353 
1 1 1 7  12 41 o 27.333  4.9761 8.0204   1.8784  28.960  5.4906 25.707  8.3006 3.252527       9.952236 
1 1 1 7  12 43 o 62.455  2.2025 40.102   1.8398  65.909  2.4219 59.002  3.6794 6.906734       4.404964 
1 1 1 7  12 45 o 42.193  3.2900 17.392   1.8475  36.756  3.9954 47.631  5.2281 -10.87493      6.579974 
1 1 1 7  12 47 o 15.582  4.7056 0.2466   1.8164  12.723  5.7775 18.442  7.4291 -5.719424      9.411207 
1 1 1 7  12 49 o 32.139  4.5118 11.946   1.9608  35.881  4.9826 28.398  7.5232 7.483198       9.023592 
1 1 1 7  12 51 o 23.888  4.9017 7.0062   1.8398  27.283  6.0126 20.492  7.7432 6.790833       9.803476 
1 1 1 7  12 53 o 15.979  4.8098 1.4931   1.9646  16.811  6.5658 15.148  7.0304 1.663463       9.619561 
1 1 1 7  13 0  o 301.384 3.3695 908.720  20.304  301.384 3.3695 ?       ?      0.000000       0.000000 
1 1 1 7  13 2  o 440.611 3.0446 1941.24  18.938  442.390 4.4454 438.832 4.1613 3.557983       6.089181 
1 1 1 7  13 4  o 301.214 2.7392 903.171  11.323  296.261 3.3190 306.166 4.3587 -9.905060      5.478490 
1 1 1 7  13 6  o 153.799 1.4091 236.490  3.0635  154.982 2.0187 152.616 1.9664 2.366104       2.818128 
1 1 1 7  13 8  o 232.818 1.8136 542.029  5.9658  232.325 2.5010 233.311 2.6272 -0.9862518     3.627293 
1 1 1 7  13 10 o 516.704 3.2599 2670.98  23.816  509.519 4.6617 523.890 4.5582 -14.37057      6.519899 
1 1 1 7  13 12 o 645.342 4.0581 4166.09  37.008  649.047 5.8534 641.637 5.6224 7.410217       8.116237 
1 1 1 7  13 14 f 397.581 2.7438 1579.85  15.379  401.308 4.0413 393.854 3.7125 7.453735       5.487671 
1 1 1 7  13 16 o 547.414 3.4685 2999.19  26.849  550.845 4.8568 543.984 4.9533 6.861389       6.937079 
1 1 1 7  13 18 o 218.685 1.7576 477.863  5.4002  220.317 2.6373 217.054 2.3239 3.263184       3.515103 
1 1 1 7  13 20 o 264.910 1.9737 701.764  7.2340  264.500 2.4381 265.320 3.1044 -0.8199158     3.947420 
1 1 1 7  13 22 o 54.185  1.7093 29.381   1.3082  54.539  2.3415 53.831  2.4909 0.7079620      3.418636 
1 1 1 7  13 24 o 86.246  1.5439 74.281   1.8787  84.323  2.1202 88.170  2.2450 -3.846375      3.087882 
1 1 1 7  13 26 o 319.658 2.7542 1023.33  12.450  317.676 3.8792 321.640 3.9107 -3.964661      5.508338 
1 1 1 7  13 28 o 281.590 2.3335 793.961  9.2901  285.874 3.2609 277.305 3.3387 8.568878       4.666950 
1 1 1 7  13 30 f 21.156  4.3358 4.5527   1.3542  20.225  5.7345 22.087  6.5049 -1.862003      8.671693 
1 1 1 7  13 32 o 190.514 1.9324 365.834  4.7823  193.189 2.0161 187.839 3.2972 5.350281       3.864762 
1 1 1 7  13 34 o 157.615 1.8273 248.730  3.7270  157.623 1.9039 157.606 3.1195 0.1693726E-01  3.654576 
1 1 1 7  13 36 o 54.383  2.2913 29.536   1.7274  53.291  2.8755 55.474  3.5681 -2.182953      4.582575 
1 1 1 7  13 38 o 18.964  4.6909 3.0874   1.6125  20.916  6.4135 17.012  6.8473 3.903543       9.381768 
1 1 1 7  13 40 o 41.851  3.6844 18.341   1.9155  44.497  3.4438 39.205  6.5146 5.292473       7.368832 
1 1 1 7  13 42 o 31.312  3.8376 10.106   1.5524  30.940  4.1273 31.684  6.4710 -0.7433624     7.675232 
1 1 1 7  13 44 o 24.996  4.8644 6.8540   1.7724  27.158  5.5989 22.835  7.9562 4.322945       9.728786 
1 1 1 7  13 46 o 33.983  3.3474 12.060   1.5733  34.070  4.1231 33.896  5.2744 0.1737022      6.694706 
1 1 1 7  13 48 o 15.449  4.7070 0.2449   1.9050  16.051  6.5445 14.847  6.7671 1.203766       9.413980 
1 1 1 7  13 50 o 23.845  5.7988 6.8841   2.2230  23.030  6.9264 24.660  9.3022 -1.630812      11.59769 
1 1 1 7  13 52 o 15.441  4.9951 -0.0613  2.2067  13.456  6.0657 17.427  7.9380 -3.970928      9.990234 
1 1 1 7  14 1  o 358.678 2.6245 1286.38  13.307  361.249 3.7648 356.107 3.6577 5.142120       5.249046 
1 1 1 7  14 3  o 614.002 3.8691 3772.25  33.581  618.772 5.3658 609.231 5.5756 9.541016       7.738197 
1 1 1 7  14 5  o 465.016 3.0577 2159.53  20.067  474.870 4.4371 455.163 4.2084 19.70679       6.115473 
1 1 1 7  14 7  o 345.000 2.4603 1190.42  12.004  343.047 3.4806 346.952 3.4782 -3.904419      4.920613 
1 1 1 7  14 9  o 879.632 5.2850 7744.66  65.708  880.392 7.6151 878.872 7.3304 1.519897       10.57002 
1 1 1 7  14 11 o 870.112 5.1682 7570.11  63.459  883.340 7.5319 856.883 7.0789 26.45667       10.33635 
1 1 1 7  14 13 o 614.529 3.7801 3779.28  32.850  614.043 5.3864 615.016 5.3052 -0.9724731     7.560262 
1 1 1 7  14 15 o 258.630 1.9990 668.576  7.2996  261.466 2.9060 255.794 2.7458 5.672867       3.998019 
1 1 1 7  14 17 o 335.041 2.3462 1123.21  11.101  333.969 3.4222 336.112 3.2105 -2.142456      4.692414 
1 1 1 7  14 19 o 215.332 1.6473 463.940  5.0072  214.381 2.4125 216.283 2.2437 -1.901367      3.294543 
1 1 1 7  14 21 o 242.232 1.8754 586.023  6.3812  245.216 2.8122 239.248 2.4820 5.968063       3.750792 
1 1 1 7  14 23 o 273.684 2.1721 749.872  8.3816  274.859 2.9270 272.509 3.2100 2.350098       4.344124 
1 1 1 7  14 25 o 441.734 3.8005 1943.44  22.308  434.424 4.2329 449.043 6.3133 -14.61829      7.601058 
1 1 1 7  14 27 o 215.298 1.9697 464.511  5.9316  216.972 2.5308 213.623 3.0188 3.349655       3.939324 
1 1 1 7  14 29 o 123.816 1.6308 153.699  2.8238  125.189 2.0911 122.442 2.5031 2.747124       3.261630 
1 1 1 7  14 31 o 109.203 1.6888 120.045  2.3762  110.458 1.7342 107.947 2.8983 2.510788       3.377516 
1 1 1 7  14 33 o 175.180 1.8754 307.300  4.4026  175.206 2.1137 175.153 3.0986 0.5381775E-01  3.750875 
1 1 1 7  14 35 o 114.428 1.6140 130.804  2.4247  113.797 1.7394 115.059 2.7192 -1.261543      3.227921 
1 1 1 7  14 37 o 133.705 1.8572 180.822  3.2844  136.570 2.0104 130.841 3.1232 5.729416       3.714305 
1 1 1 7  14 39 o 81.975  1.8960 67.598   2.0318  82.501  2.0122 81.449  3.2141 1.051605       3.792059 
1 1 1 7  14 41 o 46.819  2.4815 22.452   1.5554  48.861  2.7442 44.777  4.1353 4.084400       4.963030 
1 1 1 7  14 43 o 18.432  4.8572 2.8071   1.7145  19.276  6.7235 17.587  7.0118 1.688526       9.714488 
1 1 1 7  14 45 f 39.525  4.2703 16.784   1.9988  40.020  3.8291 39.030  7.6340 0.9903870      8.540519 
1 1 1 7  14 47 o 18.853  5.3392 2.4749   2.1907  19.628  7.2014 18.078  7.8848 1.550928       10.67849 
1 1 1 7  14 49 o 48.516  3.3488 24.668   2.2117  45.250  4.0920 51.781  5.3022 -6.530949      6.697644 
1 1 1 7  14 51 o 18.753  5.1107 3.4775   2.0358  20.550  6.7361 16.955  7.6878 3.594776       10.22141 
1 1 1 7  15 0  o 127.089 2.2121 161.669  5.6188  127.089 2.2121 ?       ?      0.000000       0.000000 
1 1 1 7  15 2  o 340.924 2.5772 1162.92  12.415  338.244 3.7376 343.603 3.5493 -5.358826      5.154359 
1 1 1 7  15 4  o 888.719 5.3994 7904.40  67.781  890.810 7.8414 886.627 7.4247 4.183350       10.79885 
1 1 1 7  15 6  o 481.269 3.2413 2316.18  22.044  477.446 4.4934 485.091 4.6727 -7.645355      6.482685 
1 1 1 7  15 8  o 285.349 2.2547 814.349  9.0977  286.411 3.2102 284.287 3.1668 2.124573       4.509378 
1 1 1 7  15 10 o 380.613 2.6634 1448.46  14.318  383.553 3.8621 377.673 3.6687 5.880066       5.326834 
1 1 1 7  15 12 o 453.219 3.0299 2055.32  19.394  452.831 4.4134 453.607 4.1525 -0.7756653     6.059784 
1 1 1 7  15 14 o 361.135 2.5077 1305.05  12.798  359.037 3.6279 363.233 3.4629 -4.195679      5.015337 
1 1 1 7  15 16 o 262.237 1.9204 688.067  7.1180  260.215 2.7728 264.259 2.6578 -4.043945      3.840863 
1 1 1 7  15 18 o 276.108 2.0361 762.599  7.9482  270.848 2.8996 281.367 2.8593 -10.51917      4.072289 
1 1 1 7  15 20 o 231.743 1.7539 536.856  5.7352  233.902 2.5660 229.584 2.3918 4.317749       3.507854 
1 1 1 7  15 22 o 212.427 1.7461 451.108  5.2077  213.636 2.6301 211.217 2.2975 2.419525       3.492240 
1 1 1 7  15 24 o 129.607 1.9060 168.912  3.0964  130.740 1.8558 128.474 3.3298 2.266418       3.812078 
1 1 1 7  15 26 o 129.944 1.5657 168.795  2.8605  129.064 2.0778 130.824 2.3427 -1.760056      3.131401 
1 1 1 7  15 28 o 72.243  2.1896 52.294   2.2348  74.143  3.0141 70.342  3.1770 3.800484       4.379297 
1 1 1 7  15 30 o 260.467 2.1287 680.209  7.7013  261.569 2.6608 259.365 3.3234 2.203796       4.257320 
1 1 1 7  15 32 o 166.824 1.9997 277.796  4.2257  165.822 2.0023 167.825 3.4622 -2.003372      3.999467 
1 1 1 7  15 34 o 30.315  4.6611 9.4855   1.7962  30.858  4.5522 29.773  8.1352 1.084946       9.322247 
1 1 1 7  15 36 o 115.332 1.4951 134.238  2.3429  118.073 1.7305 112.590 2.4385 5.482796       2.990150 
1 1 1 7  15 38 o 16.500  4.8049 0.5847   1.7251  12.670  5.6063 20.329  7.8048 -7.658774      9.609701 
1 1 1 7  15 40 o 57.845  2.5284 33.767   1.9933  57.873  2.9789 57.816  4.0862 0.5677795E-01  5.056726 
1 1 1 7  15 42 o 20.717  4.3029 3.4860   1.7520  27.235  5.5843 14.198  6.5481 13.03754       8.605900 
1 1 1 7  15 44 o 26.484  5.3217 7.9067   2.1044  29.478  5.8394 23.489  8.8986 5.988796       10.64342 
1 1 1 7  15 46 o 60.247  2.3863 37.066   1.9500  59.465  2.7918 61.030  3.8710 -1.565605      4.772670 
1 1 1 7  15 48 o 51.394  2.8546 27.583   2.0629  49.969  3.8334 52.819  4.2309 -2.850151      5.709265 
1 1 1 7  15 50 o 31.565  5.5638 12.472   2.3264  30.865  6.2175 32.266  9.2284 -1.400623      11.12751 
1 1 1 7  15 52 f 15.805  4.7931 0.7917   2.0870  17.344  6.7118 14.265  6.8445 3.078703       9.586271 
1 1 1 7  16 1  o 735.734 4.5779 5417.32  47.632  735.301 6.4693 736.167 6.4790 -0.8662720     9.155815 
1 1 1 7  16 3  o 297.670 2.3380 885.573  9.7994  299.779 3.4718 295.561 3.1325 4.218292       4.676045 
1 1 1 7  16 5  o 334.288 2.4110 1117.25  11.386  331.492 3.3322 337.084 3.4853 -5.591522      4.821966 
1 1 1 7  16 7  o 280.699 2.2439 788.118  8.9070  280.119 3.1912 281.279 3.1553 -1.160553      4.487703 
1 1 1 7  16 9  o 270.151 2.1140 729.724  8.0739  265.756 2.9792 274.545 3.0001 -8.789520      4.228063 
1 1 1 7  16 11 o 512.639 3.3390 2629.70  24.179  513.432 4.8500 511.847 4.5906 1.584808       6.678080 
1 1 1 7  16 13 o 222.022 1.7699 493.118  5.5521  221.388 2.5668 222.656 2.4375 -1.267700      3.539802 
1 1 1 7  16 15 o 330.210 2.3733 1091.16  11.074  328.640 3.4389 331.780 3.2716 -3.139099      4.746511 
1 1 1 7  16 17 o 298.473 2.1708 891.307  9.1624  296.292 3.0816 300.655 3.0581 -4.363007      4.341509 
1 1 1 7  16 19 o 250.151 1.8891 626.178  6.6539  249.673 2.8131 250.629 2.5221 -0.9568481     3.778186 
1 1 1 7  16 21 o 219.105 1.8055 480.584  5.5780  217.746 2.6684 220.465 2.4328 -2.719498      3.610949 
1 1 1 7  16 23 o 245.493 1.9152 602.918  6.6183  246.236 2.8524 244.749 2.5566 1.487030       3.830451 
1 1 1 7  16 25 o 18.890  4.7330 3.0291   1.5937  17.280  6.5126 20.500  6.8695 -3.220104      9.465906 
1 1 1 7  16 27 o 57.468  2.0125 33.150   1.6226  56.354  3.0592 58.583  2.6158 -2.229424      4.025037 
1 1 1 7  16 29 o 146.044 1.6440 213.275  3.3540  145.184 2.1110 146.905 2.5209 -1.720703      3.288049 
1 1 1 7  16 31 o 64.178  1.7763 41.355   1.5733  64.884  2.1649 63.472  2.8167 1.412830       3.552580 
1 1 1 7  16 33 o 55.021  2.2208 30.071   1.6861  53.069  2.7672 56.972  3.4743 -3.902382      4.441658 
1 1 1 7  16 35 o 103.956 1.8317 108.845  2.4917  105.086 1.9443 102.826 3.1048 2.259781       3.663343 
1 1 1 7  16 37 o 84.778  2.0324 71.972   2.2986  84.313  2.2719 85.242  3.3707 -0.9291153     4.064877 
1 1 1 7  16 39 o 71.180  2.0753 51.465   1.9933  73.264  2.3531 69.096  3.4191 4.167984       4.150552 
1 1 1 7  16 41 o 26.516  4.6083 7.6419   1.7744  30.577  5.0116 22.455  7.7350 8.121862       9.216648 
1 1 1 7  16 43 o 53.055  2.8826 29.017   2.0374  54.407  3.1686 51.702  4.8164 2.704792       5.765204 
1 1 1 7  16 45 o 19.450  4.8430 3.8900   1.6503  19.152  6.5965 19.749  7.0926 -0.5977917     9.686028 
1 1 1 7  16 47 o 37.998  4.5744 16.535   2.2951  40.843  5.0026 35.153  7.6598 5.689766       9.148720 
1 1 1 7  16 49 o 19.920  5.2718 3.5151   2.2583  22.881  7.0886 16.958  7.8050 5.923233       10.54356 
1 1 1 7  16 51 o 15.609  4.7516 1.1765   1.9427  13.443  6.1366 17.776  7.2562 -4.332482      9.503176 
1 1 1 7  17 0  o 246.874 2.8458 609.772  14.047  246.874 2.8458 ?       ?      0.000000       0.000000 
1 1 1 7  17 2  o 597.925 4.1604 3568.69  34.621  590.357 5.2780 605.492 6.4326 -15.13519      8.320774 
1 1 1 7  17 4  o 225.900 1.9691 510.469  6.2878  226.607 2.7331 225.193 2.8354 1.414688       3.938194 
1 1 1 7  17 6  o 519.013 3.4492 2695.67  25.316  521.472 4.8732 516.554 4.8825 4.917969       6.898368 
1 1 1 7  17 8  o 401.245 2.7513 1610.85  15.611  403.203 3.8639 399.287 3.9178 3.915405       5.502668 
1 1 1 7  17 10 o 416.323 2.8090 1733.84  16.528  414.250 3.8996 418.395 4.0441 -4.145660      5.617994 
1 1 1 7  17 12 o 174.861 1.6848 306.109  4.1257  173.872 2.5706 175.850 2.1786 -1.977875      3.369582 
1 1 1 7  17 14 o 270.604 2.0218 732.724  7.7069  269.973 3.0036 271.234 2.7072 -1.261108      4.043592 
1 1 1 7  17 16 o 173.717 1.6764 301.787  4.1161  172.505 2.3319 174.928 2.4091 -2.423309      3.352782 
1 1 1 7  17 18 o 203.144 1.7474 412.059  4.9779  205.699 2.6385 200.590 2.2919 5.108749       3.494866 
1 1 1 7  17 20 o 172.576 1.6365 296.495  3.9475  177.266 2.4853 167.885 2.1298 9.381195       3.273073 
1 1 1 7  17 22 o 141.401 1.5555 200.073  3.0701  141.282 2.3953 141.521 1.9852 -0.2388153     3.110976 
1 1 1 7  17 24 o 107.022 1.5861 114.391  2.3735  108.120 2.4213 105.924 2.0495 2.196678       3.172216 
1 1 1 7  17 26 o 185.666 1.8369 345.132  4.8188  186.805 2.5293 184.528 2.6644 2.276474       3.673742 
1 1 1 7  17 28 o 60.433  1.9801 36.518   1.6866  59.435  2.6857 61.432  2.9102 -1.997257      3.960136 
1 1 1 7  17 30 o 110.503 1.5732 122.218  2.4578  112.437 2.2147 108.568 2.2348 3.868385       3.146339 
1 1 1 7  17 32 o 118.159 1.7374 140.876  2.7606  120.648 1.9581 115.670 2.8704 4.978203       3.474725 
1 1 1 7  17 34 o 70.236  2.2222 48.947   2.0507  68.477  2.4243 71.995  3.7248 -3.518433      4.444307 
1 1 1 7  17 36 o 57.774  2.3310 33.982   1.7966  59.811  2.5621 55.737  3.8949 4.074493       4.662057 
1 1 1 7  17 38 o 50.427  2.6215 25.760   1.8318  51.360  3.2323 49.494  4.1282 1.865997       5.243036 
1 1 1 7  17 40 o 24.015  4.4430 6.0738   1.4659  22.956  5.3740 25.074  7.0767 -2.117577      8.885915 
1 1 1 7  17 42 o 51.986  2.7986 27.404   1.9933  51.042  3.3775 52.931  4.4633 -1.888748      5.597246 
1 1 1 7  17 44 o 34.150  3.9014 12.369   1.7520  33.237  4.4185 35.064  6.4313 -1.826771      7.802874 
1 1 1 7  17 46 o 20.771  5.1796 4.6307   1.9469  18.088  7.1568 23.453  7.4896 -5.365026      10.35924 
1 1 1 7  17 48 o 42.816  3.6390 19.505   2.0987  39.743  4.3377 45.888  5.8440 -6.144558      7.277963 
1 1 1 7  17 50 o 24.105  5.1784 7.4049   2.3349  30.919  6.9798 17.290  7.6516 13.62878       10.35688 
1 1 1 7  18 1  o 200.001 1.8967 399.716  5.3513  202.281 2.7777 197.721 2.5835 4.560760       3.793427 
1 1 1 7  18 3  o 309.830 2.3854 960.171  10.411  309.403 3.1987 310.257 3.5397 -0.8533936     4.770884 
1 1 1 7  18 5  o 199.617 1.7875 398.584  5.0410  199.327 2.5947 199.905 2.4594 -0.5779419     3.575049 
1 1 1 7  18 7  o 340.539 2.4860 1160.19  11.972  338.430 3.5281 342.648 3.5033 -4.217896      4.971931 
1 1 1 7  18 9  o 355.307 2.5307 1260.30  12.634  361.107 3.7839 349.507 3.3614 11.59979       5.061362 
1 1 1 7  18 11 o 226.191 1.8164 511.533  5.8076  221.323 2.5676 231.059 2.5699 -9.735809      3.632791 
1 1 1 7  18 13 o 146.951 1.5710 216.370  3.2514  144.343 2.3445 149.560 2.0919 -5.216965      3.142085 
1 1 1 7  18 15 f 189.055 1.6618 357.215  4.4190  190.470 2.4807 187.641 2.2118 2.828613       3.323534 
1 1 1 7  18 17 o 158.678 1.6303 251.803  3.5991  158.933 2.5310 158.423 2.0555 0.5097656      3.260511 
1 1 1 7  18 19 o 174.482 1.6387 305.203  3.9972  172.407 2.5184 176.556 2.0975 -4.148651      3.277467 
1 1 1 7  18 21 o 347.736 2.6898 1210.93  13.003  347.755 4.1863 347.716 3.3788 0.3836060E-01  5.379657 
1 1 1 7  18 23 o 289.459 2.8285 838.543  11.108  288.684 3.2956 290.234 4.5979 -1.550812      5.656988 
1 1 1 7  18 25 o 74.015  2.0737 54.921   2.0813  73.699  3.3788 74.331  2.4052 -0.6316833     4.147471 
1 1 1 7  18 27 o 76.750  1.7727 58.708   1.8815  78.152  2.7778 75.348  2.2032 2.804001       3.545483 
1 1 1 7  18 29 o 86.526  1.6461 74.987   2.0108  90.214  2.2649 82.838  2.3895 7.376244       3.292275 
1 1 1 7  18 31 o 91.904  1.7693 84.604   2.2968  91.865  2.5717 91.943  2.4306 -0.7783508E-01 3.538547 
1 1 1 7  18 33 o 191.228 1.9946 369.021  4.9834  193.966 2.1068 188.491 3.3875 5.475143       3.989161 
1 1 1 7  18 35 o 61.913  2.0938 38.619   1.8057  63.018  2.6343 60.808  3.2551 2.209919       4.187526 
1 1 1 7  18 37 o 42.565  2.9246 18.345   1.7553  43.849  3.9316 41.282  4.3307 2.566360       5.849165 
1 1 1 7  18 39 o 26.647  5.3834 7.5382   2.0585  25.536  6.6763 27.759  8.4470 -2.222904      10.76684 
1 1 1 7  18 41 o 20.721  5.0125 4.2689   1.7513  20.890  6.5811 20.552  7.5623 0.3385849      10.02493 
1 1 1 7  18 43 o 29.519  4.8286 9.7588   1.9052  29.408  5.6288 29.631  7.8473 -0.2231407     9.657256 
1 1 1 7  18 45 o 43.770  3.2906 20.576   1.9608  47.204  3.7874 40.335  5.3822 6.869175       6.581189 
1 1 1 7  18 47 o 60.400  3.0786 38.502   2.3944  60.254  3.1791 60.546  5.2729 -0.2915268     6.157121 
1 1 1 7  18 49 o 13.642  4.4869 -2.6087  2.1892  14.544  6.4802 12.739  6.2076 1.805337       8.973740 
1 1 1 7  19 0  o 227.490 2.8077 517.827  12.770  227.490 2.8077 ?       ?      0.000000       0.000000 
1 1 1 7  19 2  o 556.863 3.6850 3104.16  29.020  556.174 5.2235 557.552 5.1992 -1.377258      7.369994 
1 1 1 7  19 4  o 88.424  1.7857 77.892   2.1246  89.394  2.9284 87.453  2.0443 1.941490       3.571416 
1 1 1 7  19 6  o 406.972 2.8800 1657.92  16.569  401.902 4.1465 412.041 3.9980 -10.13855      5.760005 
1 1 1 7  19 8  o 472.263 3.2270 2232.23  21.539  473.693 4.6504 470.834 4.4752 2.859222       6.453916 
1 1 1 7  19 10 o 269.481 2.1782 726.536  8.3001  265.964 3.0969 272.999 3.0639 -7.035065      4.356424 
1 1 1 7  19 12 o 132.488 1.5860 175.479  2.9605  133.257 2.3478 131.719 2.1329 1.538010       3.172000 
1 1 1 7  19 14 o 348.412 2.5680 1212.46  12.570  353.831 3.8437 342.994 3.4067 10.83707       5.136074 
1 1 1 7  19 16 o 303.377 2.3450 921.517  10.056  298.630 3.3782 308.124 3.2534 -9.493744      4.690093 
1 1 1 7  19 18 o 114.746 1.4438 131.815  2.3091  114.324 2.2340 115.168 1.8296 -0.8437958     2.887576 
1 1 1 7  19 20 o 43.264  3.0964 19.307   1.7923  39.417  5.1835 47.111  3.3883 -7.693298      6.192707 
1 1 1 7  19 22 o 71.107  2.1902 50.525   2.1987  68.327  3.0838 73.887  3.1110 -5.560211      4.380419 
1 1 1 7  19 24 o 93.949  2.0423 88.606   2.3396  93.511  3.6189 94.388  1.8941 -0.8770065     4.084630 
1 1 1 7  19 26 o 31.169  3.5090 9.5031   1.4659  35.820  5.1694 26.518  4.7464 9.301537       7.017943 
1 1 1 7  19 28 o 85.546  1.9680 73.197   2.3193  85.975  3.1192 85.116  2.4005 0.8590469      3.935951 
1 1 1 7  19 30 o 136.071 1.6427 185.440  3.1603  136.730 2.2882 135.412 2.3576 1.317810       3.285473 
1 1 1 7  19 32 o 28.045  4.5904 8.3142   1.7855  28.721  6.1796 27.369  6.7896 1.351274       9.180746 
1 1 1 7  19 34 o 40.246  3.0864 16.325   1.7507  39.790  4.1722 40.703  4.5492 -0.9124680     6.172729 
1 1 1 7  19 36 o 43.923  3.1635 19.864   1.8964  46.952  3.6718 40.893  5.1526 6.058643       6.327012 
1 1 1 7  19 38 o 65.216  2.5786 42.704   2.3003  63.767  3.1041 66.666  4.1184 -2.899075      5.157191 
1 1 1 7  19 40 o 86.448  1.8998 76.263   2.2123  89.515  2.1399 83.381  3.1396 6.134163       3.799519 
1 1 1 7  19 42 o 62.305  2.7343 39.970   2.2779  62.642  3.0579 61.968  4.5337 0.6744995      5.468545 
1 1 1 7  19 44 o 15.015  4.5357 0.3134   1.7414  15.820  6.4284 14.211  6.4005 1.609139       9.071466 
1 1 1 7  19 46 o 37.176  4.3572 15.677   2.1033  38.477  4.6464 35.875  7.3723 2.602489       8.714381 
1 1 1 7  19 48 o 43.035  3.4710 20.262   2.0761  37.081  4.9936 48.989  4.8225 -11.90815      6.942049 
1 1 1 7  20 1  o 102.182 1.7047 104.569  2.4545  103.558 2.2813 100.806 2.5336 2.751617       3.409316 
1 1 1 7  20 3  o 32.122  4.2621 10.528   1.8571  31.905  6.8051 32.339  5.1335 -0.4336395     8.524222 
1 1 1 7  20 5  o 235.689 1.8778 555.705  6.2547  235.839 2.5991 235.538 2.7108 0.3014679      3.755505 
1 1 1 7  20 7  o 152.767 1.6705 233.062  3.5937  155.084 2.4703 150.450 2.2493 4.633682       3.340915 
1 1 1 7  20 9  o 228.219 1.8700 520.812  6.0256  229.825 2.7227 226.614 2.5640 3.210419       3.739916 
1 1 1 7  20 11 o 409.733 2.8545 1680.91  16.537  406.256 4.0864 413.210 3.9867 -6.953674      5.708951 
1 1 1 7  20 13 o 186.425 1.7629 348.098  4.6025  185.117 2.6904 187.734 2.2787 -2.616577      3.525732 
1 1 1 7  20 15 o 246.585 2.0026 608.015  6.9011  247.631 3.0684 245.540 2.5744 2.090820       4.005296 
1 1 1 7  20 17 o 201.900 1.8809 407.754  5.3444  202.666 2.8040 201.134 2.5079 1.532013       3.761873 
1 1 1 7  20 19 o 374.331 2.6491 1403.87  14.015  367.277 3.8247 381.385 3.6664 -14.10880      5.298189 
1 1 1 7  20 21 o 61.253  2.4487 37.664   2.1051  55.887  3.6560 66.618  3.2587 -10.73124      4.897499 
1 1 1 7  20 23 o 101.978 2.1012 104.754  2.6859  100.849 3.6722 103.107 2.0436 -2.257965      4.202495 
1 1 1 7  20 25 o 77.662  1.9198 60.466   1.9155  77.470  3.2968 77.853  1.9683 -0.3827133     3.839669 
1 1 1 7  20 27 o 125.121 1.7628 156.876  3.0569  124.670 2.7656 125.573 2.1864 -0.9028015     3.525517 
1 1 1 7  20 29 o 126.463 1.7037 160.478  3.0164  124.959 2.6060 127.966 2.1954 -3.007912      3.407486 
1 1 1 7  20 31 o 11.392  3.8149 -3.8761  1.6226  10.397  5.0045 12.387  5.7593 -1.989941      7.629822 
1 1 1 7  20 33 o 35.003  3.4111 12.362   1.5987  34.892  3.8429 35.114  5.6370 -0.2219620     6.822273 
1 1 1 7  20 35 o 47.949  3.2893 22.873   1.9831  46.584  3.2895 49.313  5.6971 -2.728439      6.578633 
1 1 1 7  20 37 o 83.097  2.1452 70.293   2.2902  85.002  2.1784 81.192  3.6962 3.810043       4.290337 
1 1 1 7  20 39 o 38.367  3.4086 15.071   1.7520  38.151  3.8493 38.584  5.6265 -0.4330025     6.817235 
1 1 1 7  20 41 o 20.631  5.4444 3.7144   2.1913  17.230  7.1702 24.032  8.1948 -6.802061      10.88888 
1 1 1 7  20 43 f 43.720  3.1064 19.564   1.8389  41.331  3.7076 46.109  4.9851 -4.777905      6.212732 
1 1 1 7  20 45 o 33.045  4.9336 12.591   2.1454  31.300  5.9272 34.790  7.8885 -3.489908      9.867155 
1 1 1 7  20 47 o 31.289  4.6910 11.763   1.9865  30.321  6.1107 32.257  7.1189 -1.935516      9.381905 
1 1 1 7  20 49 o 16.579  5.4203 0.1940   2.5697  15.380  6.5026 17.778  8.6738 -2.397931      10.84057 
1 1 1 7  21 0  o 139.120 2.2502 193.722  6.2573  139.120 2.2502 ?       ?      0.000000       0.000000 
1 1 1 7  21 2  o 146.727 1.5863 215.473  3.2855  145.486 2.3260 147.969 2.1576 -2.482925      3.172631 
1 1 1 7  21 4  o 117.384 1.5773 137.682  2.6116  115.890 2.1487 118.878 2.3096 -2.988251      3.154557 
1 1 1 7  21 6  o 155.339 1.6709 241.072  3.6645  158.378 2.4189 152.300 2.3058 6.078476       3.341852 
1 1 1 7  21 8  o 148.190 1.5103 219.878  3.1577  146.314 2.2256 150.066 2.0423 -3.751465      3.020657 
1 1 1 7  21 10 o 315.059 2.3799 992.761  10.575  317.731 3.4967 312.388 3.2294 5.343628       4.759822 
1 1 1 7  21 12 o 351.265 2.5192 1234.94  12.512  346.054 3.5610 356.476 3.5644 -10.42191      5.038455 
1 1 1 7  21 14 o 63.334  2.1961 40.430   1.8389  62.263  3.6918 64.404  2.3794 -2.140900      4.392114 
1 1 1 7  21 16 o 178.835 1.6652 318.983  4.1987  185.666 2.4073 172.004 2.3015 13.66231       3.330490 
1 1 1 7  21 18 o 107.010 1.7092 113.450  2.5383  111.655 2.6305 102.366 2.1831 9.289299       3.418443 
1 1 1 7  21 20 o 153.298 1.6786 234.992  3.6350  155.459 2.4233 151.136 2.3236 4.323639       3.357266 
1 1 1 7  21 22 o 120.941 1.7986 144.127  2.8551  125.135 3.0105 116.747 1.9689 8.387520       3.597165 
1 1 1 7  21 24 o 257.563 2.2101 664.373  8.0269  259.063 3.2534 256.063 2.9922 2.999878       4.420171 
1 1 1 7  21 26 o 177.331 1.7927 315.534  4.4367  175.260 2.7688 179.403 2.2778 -4.143463      3.585352 
1 1 1 7  21 28 o 76.063  1.9143 57.976   2.0113  76.044  3.0227 76.083  2.3498 -0.3882599E-01 3.828670 
1 1 1 7  21 30 o 61.362  2.4796 36.744   2.0013  65.297  4.1070 57.427  2.7796 7.869709       4.959200 
1 1 1 7  21 32 o 94.097  1.8503 88.936   2.4578  96.408  2.5167 91.786  2.7130 4.622093       3.700598 
1 1 1 7  21 34 o 64.830  2.5947 43.174   2.2348  68.209  2.8083 61.452  4.3640 6.757256       5.189479 
1 1 1 7  21 36 o 85.359  1.9730 73.649   2.3469  87.460  2.4822 83.259  3.0675 4.200478       3.946025 
1 1 1 7  21 38 o 57.584  2.7854 33.700   2.2555  56.715  3.7152 58.452  4.1510 -1.736374      5.570724 
1 1 1 7  21 40 o 30.809  4.7351 10.894   2.0113  35.761  4.9993 25.858  8.0431 9.903379       9.470242 
1 1 1 7  21 42 o 12.645  4.1867 -2.9891  1.8571  12.148  5.6496 13.142  6.1801 -0.9935122     8.373310 
1 1 1 7  21 44 o 22.158  5.3780 5.5206   2.0629  19.045  7.2508 25.270  7.9447 -6.224945      10.75608 
1 1 1 7  21 46 o 22.915  5.0326 6.0760   2.1469  28.607  6.6020 17.222  7.5976 11.38575       10.06530 
1 1 1 7  21 48 o 21.372  5.5177 6.1935   2.1409  20.056  7.3278 22.688  8.2513 -2.631756      11.03540 
1 1 1 7  22 1  f 161.012 1.6966 259.372  3.8627  161.449 2.3729 160.575 2.4256 0.8735657      3.393244 
1 1 1 7  22 3  o 360.476 2.6245 1300.93  13.377  365.399 3.6696 355.553 3.7532 9.846558       5.249054 
1 1 1 7  22 5  o 428.741 2.9438 1840.08  17.830  431.278 4.2638 426.205 4.0599 5.072815       5.887527 
1 1 1 7  22 7  o 102.640 1.8255 105.392  2.6494  103.665 2.5869 101.614 2.5763 2.051514       3.650938 
1 1 1 7  22 9  o 269.351 2.1791 726.081  8.3001  267.184 3.0828 271.518 3.0806 -4.334534      4.358174 
1 1 1 7  22 11 o 184.031 1.7660 337.004  4.5538  190.438 2.6487 177.623 2.3366 12.81450       3.532040 
1 1 1 7  22 13 o 128.641 1.7544 165.198  3.1810  131.838 2.5668 125.445 2.3923 6.393166       3.508795 
1 1 1 7  22 15 o 85.037  1.9485 71.925   2.2776  86.905  3.0858 83.170  2.3799 3.734192       3.896945 
1 1 1 7  22 17 o 94.417  1.9243 88.746   2.4966  96.230  3.0522 92.605  2.3443 3.625847       3.848566 
1 1 1 7  22 19 o 99.318  1.6210 98.675   2.2447  99.504  2.5026 99.132  2.0611 0.3715210      3.242086 
1 1 1 7  22 21 o 100.545 1.9401 100.322  2.6728  103.602 3.0815 97.488  2.3578 6.114494       3.880101 
1 1 1 7  22 23 o 90.410  1.7031 82.213   2.0813  89.192  2.7919 91.629  1.9511 -2.436943      3.406141 
1 1 1 7  22 25 o 115.111 1.7451 132.925  2.7572  114.315 2.7927 115.907 2.0933 -1.592545      3.490195 
1 1 1 7  22 27 o 59.591  2.3348 35.629   1.8112  59.547  3.9674 59.635  2.4626 -0.8732605E-01 4.669518 
1 1 1 7  22 29 o 103.176 1.6883 106.987  2.3658  102.243 2.7478 104.108 1.9626 -1.864349      3.376692 
1 1 1 7  22 31 o 113.625 1.7474 129.844  2.7331  112.348 2.7848 114.901 2.1117 -2.552879      3.494882 
1 1 1 7  22 33 o 134.646 1.8920 181.572  3.5027  133.353 2.2983 135.939 3.0061 -2.586151      3.783994 
1 1 1 7  22 35 o 24.936  4.7382 5.7749   1.9865  15.677  6.6247 34.195  6.7762 -18.51888      9.476494 
1 1 1 7  22 37 o 70.081  2.4321 49.899   2.3735  70.900  3.0619 69.262  3.7796 1.638046       4.864272 
1 1 1 7  22 39 o 56.484  2.7125 32.451   2.1409  52.942  3.6181 60.026  4.0421 -7.083996      5.424901 
1 1 1 7  22 41 o 49.733  2.8548 25.321   1.9702  46.667  3.6942 52.798  4.3536 -6.130997      5.709699 
1 1 1 7  22 43 o 41.229  6.3640 21.693   3.0119  45.941  4.7255 36.518  11.818 9.423229       12.72795 
1 1 1 7  22 45 o 31.297  4.5179 11.935   1.9344  37.761  4.7346 24.833  7.6960 12.92808       9.035712 
1 1 1 7  22 47 o 18.327  5.4522 3.2339   2.1899  14.920  6.4117 21.734  8.8202 -6.814262      10.90438 
1 1 1 7  23 0  o 308.940 3.2456 955.203  20.049  308.940 3.2456 ?       ?      0.000000       0.000000 
1 1 1 7  23 2  o 208.883 1.9452 436.456  5.7437  211.218 2.7811 206.547 2.7204 4.670441       3.890382 
1 1 1 7  23 4  o 268.634 2.1093 721.481  7.9978  264.722 2.8944 272.546 3.0690 -7.823822      4.218545 
1 1 1 7  23 6  o 413.138 3.0054 1709.98  17.559  415.247 4.2285 411.028 4.2719 4.219208       6.010823 
1 1 1 7  23 8  o 327.313 2.4631 1072.96  11.397  322.913 3.5394 331.713 3.4263 -8.800171      4.926133 
1 1 1 7  23 10 o 164.972 1.7125 272.211  3.9781  165.566 2.5453 164.377 2.2918 1.188873       3.425018 
1 1 1 7  23 12 o 211.285 1.8919 446.858  5.6491  209.937 2.7373 212.632 2.6125 -2.694885      3.783875 
1 1 1 7  23 14 o 137.381 1.6458 188.992  3.1874  136.262 2.4367 138.500 2.2129 -2.238007      3.291515 
1 1 1 7  23 16 o 66.824  2.0550 45.072   1.8964  64.475  3.2680 69.172  2.4923 -4.696762      4.109912 
1 1 1 7  23 18 o 72.384  1.9437 51.696   1.9052  75.411  3.1328 69.357  2.3015 6.053864       3.887352 
1 1 1 7  23 20 o 142.987 1.9663 204.700  3.9217  143.211 3.0318 142.762 2.5046 0.4488068      3.932514 
1 1 1 7  23 22 o 161.415 1.8505 260.463  4.1793  163.075 2.8191 159.755 2.3981 3.319885       3.701068 
1 1 1 7  23 24 o 55.699  2.5118 30.937   1.9608  57.746  3.7594 53.652  3.3323 4.094742       5.023644 
1 1 1 7  23 26 o 81.098  1.9886 66.319   2.1691  79.764  3.2820 82.432  2.2463 -2.668465      3.977131 
1 1 1 7  23 28 o 63.788  2.4555 39.782   2.0691  67.767  4.0515 59.810  2.7756 7.956409       4.911097 
1 1 1 7  23 30 o 104.195 1.7801 108.018  2.4720  106.216 2.9456 102.173 1.9998 4.042427       3.560261 
1 1 1 7  23 32 o 94.125  1.8641 88.493   2.2902  95.183  3.1529 93.067  1.9896 2.115189       3.728137 
1 1 1 7  23 34 o 80.061  2.0397 64.622   2.2827  80.626  2.6134 79.496  3.1324 1.130074       4.079436 
1 1 1 7  23 36 o 67.686  2.3546 46.687   2.2275  70.377  2.9940 64.994  3.6349 5.383255       4.709178 
1 1 1 7  23 38 o 22.199  5.9962 4.4788   2.2802  19.676  6.8573 24.722  9.8385 -5.045696      11.99242 
1 1 1 7  23 40 o 34.349  3.5566 12.515   1.7240  35.650  4.8358 33.048  5.2166 2.602425       7.113188 
1 1 1 7  23 42 o 38.490  4.2569 16.879   2.1634  43.707  4.6748 33.274  7.1156 10.43383       8.513821 
1 1 1 7  23 44 o 44.917  4.0229 22.610   2.3384  46.371  4.1309 43.464  6.9045 2.906418       8.045867 
1 1 1 7  23 46 o 16.948  5.0661 2.1632   2.0761  14.326  6.3774 19.569  7.8734 -5.243499      10.13217 
1 1 1 7  24 1  o 170.335 1.7494 290.328  4.2141  169.679 2.4836 170.991 2.4645 -1.311981      3.498869 
1 1 1 7  24 3  o 93.486  1.7637 87.283   2.3196  94.985  2.6216 91.988  2.3600 2.997055       3.527412 
1 1 1 7  24 5  o 167.005 1.7302 279.030  4.0854  168.170 2.4679 165.841 2.4256 2.329025       3.460338 
1 1 1 7  24 7  o 21.451  5.2372 4.1450   1.9218  21.202  7.7957 21.700  6.9958 -0.4979115     10.47444 
1 1 1 7  24 9  f 74.128  1.9182 54.786   1.9986  76.276  2.8461 71.979  2.5725 4.297447       3.836431 
1 1 1 7  24 11 o 79.944  1.8148 63.723   2.0113  81.214  2.8303 78.674  2.2724 2.539864       3.629698 
1 1 1 7  24 13 o 98.563  1.8795 97.280   2.6163  97.816  2.7416 99.310  2.5718 -1.494507      3.759025 
1 1 1 7  24 15 f 154.628 1.7202 239.033  3.6739  155.314 2.7133 153.943 2.1153 1.370132       3.440429 
1 1 1 7  24 17 o 40.140  3.6545 16.441   1.9500  38.516  6.1337 41.764  3.9749 -3.248245      7.309069 
1 1 1 7  24 19 o 87.415  2.0919 76.553   2.5855  87.596  2.9886 87.235  2.9278 0.3611984      4.183699 
1 1 1 7  24 21 o 112.146 1.8606 124.870  2.6689  113.957 3.1937 110.335 1.9097 3.622070       3.721139 
1 1 1 7  24 23 o 146.374 1.8529 213.952  3.7023  147.859 2.9797 144.888 2.2034 2.970367       3.705869 
1 1 1 7  24 25 o 158.992 1.8449 253.931  4.0765  157.367 2.8808 160.617 2.3057 -3.249344      3.689855 
1 1 1 7  24 27 o 96.970  1.9322 93.477   2.4121  98.671  3.3002 95.270  2.0106 3.400665       3.864472 
1 1 1 7  24 29 o 85.889  2.0636 72.911   2.3854  89.464  3.3544 82.315  2.4046 7.149422       4.127244 
1 1 1 7  24 31 o 62.671  2.3778 39.272   2.0761  65.107  3.6286 60.235  3.0741 4.872185       4.755657 
1 1 1 7  24 33 o 66.280  2.6110 45.965   2.0684  62.513  4.6984 70.048  2.2788 -7.535034      5.221915 
1 1 1 7  24 35 o 29.783  5.1147 9.9370   1.9721  33.129  4.4328 26.437  9.2190 6.692413       10.22938 
1 1 1 7  24 37 o 29.614  5.4838 9.9012   2.2321  27.756  6.7310 31.473  8.6592 -3.717062      10.96765 
1 1 1 7  24 39 o 17.159  4.7337 2.1071   1.7240  14.924  6.4126 19.394  6.9648 -4.469360      9.467337 
1 1 1 7  24 41 o 26.205  4.7684 8.0452   1.7878  24.422  6.9732 27.988  6.5057 -3.565783      9.536744 
1 1 1 7  24 43 o 27.582  5.8781 9.8231   2.4312  26.890  7.5360 28.274  9.0232 -1.383940      11.75621 
1 1 1 7  24 45 o 12.326  4.1274 -2.6881  1.8964  12.009  5.6343 12.644  6.0330 -0.6355877     8.254830 
1 1 1 7  25 0  o 121.570 2.3655 148.005  5.7465  121.570 2.3655 ?       ?      0.000000       0.000000 
1 1 1 7  25 2  o 87.814  2.1156 77.431   2.5193  86.964  3.4508 88.663  2.4485 -1.699318      4.231228 
1 1 1 7  25 4  o 141.085 1.7602 199.060  3.5071  142.575 2.5527 139.595 2.4242 2.979675       3.520360 
1 1 1 7  25 6  o 171.655 1.8206 294.297  4.3603  173.445 2.7978 169.865 2.3305 3.580109       3.641287 
1 1 1 7  25 8  o 80.442  2.2472 64.669   2.5397  81.586  3.3653 79.299  2.9792 2.286057       4.494494 
1 1 1 7  25 10 o 69.703  2.2131 48.549   2.1409  70.333  3.4497 69.073  2.7732 1.260803       4.426203 
1 1 1 7  25 12 o 47.211  3.1619 23.225   1.8784  43.667  5.5564 50.755  3.0192 -7.088112      6.323709 
1 1 1 7  25 14 o 64.158  2.2167 41.227   2.0108  65.151  3.1361 63.165  3.1337 1.986702       4.433381 
1 1 1 7  25 16 o 50.086  5.0176 26.881   2.2028  47.331  9.6426 52.842  2.7792 -5.510178      10.03515 
1 1 1 7  25 18 o 69.450  2.1921 48.206   2.1004  70.121  3.4602 68.779  2.6922 1.341965       4.384170 
1 1 1 7  25 20 o 60.541  2.5242 36.325   1.9503  61.867  4.3346 59.215  2.5879 2.651646       5.048386 
1 1 1 7  25 22 o 71.903  2.4048 52.107   2.4112  70.152  3.7317 73.654  3.0341 -3.502258      4.809519 
1 1 1 7  25 24 o 140.529 1.8416 198.320  3.6115  139.203 2.8438 141.855 2.3406 -2.651550      3.683172 
1 1 1 7  25 26 o 160.927 1.8973 259.445  4.2813  162.510 2.8682 159.344 2.4844 3.165878       3.794555 
1 1 1 7  25 28 o 46.736  3.2026 21.767   2.0374  48.568  5.1272 44.905  3.8391 3.662701       6.405259 
1 1 1 7  25 30 o 69.167  2.5809 47.929   2.3854  70.463  4.2590 67.872  2.9163 2.590347       5.161743 
1 1 1 7  25 32 o 48.063  3.2094 23.758   2.1004  46.416  5.2273 49.710  3.7250 -3.293297      6.418703 
1 1 1 7  25 34 o 40.478  3.5129 16.850   2.0067  42.233  4.9891 38.723  4.9466 3.509548       7.025724 
1 1 1 7  25 36 o 24.984  5.4235 6.6985   1.9503  21.280  6.5567 28.687  8.6409 -7.407084      10.84692 
1 1 1 7  25 38 o 25.420  5.1230 7.4883   1.9469  27.233  6.9972 23.607  7.4846 3.625505       10.24601 
1 1 1 7  25 40 o 15.157  4.7919 -0.7305  2.0789  15.286  7.1035 15.028  6.4334 0.2578764      9.583724 
1 1 1 7  25 42 o 37.592  4.5613 16.889   2.2555  43.649  4.8273 31.536  7.7408 12.11288       9.122679 
1 1 1 7  25 44 o 17.258  5.3052 2.0568   2.3429  15.578  6.8377 18.937  8.1133 -3.359599      10.61031 
1 1 1 7  26 1  o 154.898 1.8656 239.888  4.0774  157.076 2.7235 152.720 2.5503 4.355835       3.731191 
1 1 1 7  26 3  o 159.606 1.7406 254.869  3.9203  160.261 2.5499 158.951 2.3700 1.309509       3.481204 
1 1 1 7  26 5  o 143.697 1.7750 206.534  3.6050  140.901 2.4924 146.493 2.5280 -5.592010      3.550009 
1 1 1 7  26 7  o 143.135 1.7217 204.645  3.4561  144.999 2.5981 141.272 2.2598 3.726883       3.443390 
1 1 1 7  26 9  o 190.080 1.9955 361.798  5.3627  189.607 2.8624 190.553 2.7812 -0.9464874     3.991012 
1 1 1 7  26 11 o 95.344  2.3524 90.852   3.1216  94.128  2.9847 96.561  3.6369 -2.433067      4.704791 
1 1 1 7  26 13 o 63.037  2.5453 39.848   2.2626  62.929  3.7542 63.146  3.4380 -0.2167435     5.090532 
1 1 1 7  26 15 f 192.476 2.2559 370.570  5.8937  193.518 3.6624 191.433 2.6350 2.084763       4.511776 
1 1 1 7  26 17 o 122.341 1.9643 149.528  3.2424  123.193 3.2134 121.488 2.2600 1.705444       3.928547 
1 1 1 7  26 19 o 176.192 2.0001 310.333  4.9509  179.389 2.9898 172.996 2.6574 6.392578       4.000133 
1 1 1 7  26 21 o 177.977 1.9952 318.041  5.0072  175.127 2.9532 180.827 2.6836 -5.699829      3.990372 
1 1 1 7  26 23 o 107.637 1.8776 116.716  2.7383  106.107 3.0689 109.168 2.1641 -3.059998      3.755208 
1 1 1 7  26 25 o 44.885  3.5362 20.815   2.1709  38.200  5.6831 51.571  4.2095 -13.37169      7.072318 
1 1 1 7  26 27 o 84.201  2.1785 71.336   2.5761  83.417  3.2914 84.985  2.8550 -1.568176      4.357086 
1 1 1 7  26 29 o 45.255  3.5496 20.631   2.1180  46.267  5.9341 44.242  3.8967 2.025158       7.099155 
1 1 1 7  26 31 o 39.249  4.5346 16.007   2.2407  39.919  7.7958 38.578  4.6342 1.340168       9.069212 
1 1 1 7  26 33 o 17.459  5.3088 0.1035   2.3193  19.964  8.2553 14.954  6.6770 5.009463       10.61754 
1 1 1 7  26 35 o 41.683  5.3091 19.194   2.6651  41.617  9.4231 41.748  4.8941 -0.1310921     10.61828 
1 1 1 7  26 37 o 42.163  3.9128 19.127   2.2702  43.543  4.6924 40.782  6.2626 2.761356       7.825541 
1 1 1 7  26 39 o 19.737  5.4121 3.1925   2.2986  16.371  7.2169 23.104  8.0673 -6.732954      10.82429 
1 1 1 7  26 41 o 18.653  5.3319 3.1437   2.1409  17.130  7.0147 20.176  8.0319 -3.045959      10.66389 
1 1 1 7  26 43 o 33.738  4.4377 13.703   2.0629  37.666  5.9331 29.810  6.6009 7.855694       8.875464 
1 1 1 7  27 0  o 210.819 3.2424 445.165  13.664  210.819 3.2424 ?       ?      0.000000       0.000000 
1 1 1 7  27 2  o 198.539 1.9345 394.880  5.4243  196.861 2.8218 200.218 2.6469 -3.356903      3.868931 
1 1 1 7  27 4  o 174.739 2.0410 304.956  4.9226  176.604 3.2178 172.874 2.5116 3.729218       4.081903 
1 1 1 7  27 6  o 122.968 2.0187 151.619  3.3297  122.570 3.3340 123.367 2.2773 -0.7966995     4.037490 
1 1 1 7  27 8  o 24.070  5.1655 5.8870   1.9134  23.514  7.4877 24.627  7.1178 -1.112873      10.33095 
1 1 1 7  27 10 o 101.333 1.9875 102.573  2.7165  102.090 3.2522 100.575 2.2855 1.514809       3.974979 
1 1 1 7  27 12 o 99.837  2.4879 97.947   3.0911  103.183 4.3317 96.491  2.4484 6.691895       4.975740 
1 1 1 7  27 14 o 132.175 1.9687 174.568  3.6378  133.918 3.0038 130.432 2.5456 3.486084       3.937316 
1 1 1 7  27 16 o 185.359 2.2888 345.080  5.9316  183.494 3.5145 187.225 2.9329 -3.730652      4.577524 
1 1 1 7  27 18 o 115.287 2.0640 132.751  3.3008  117.242 3.2132 113.332 2.5916 3.909187       4.128064 
1 1 1 7  27 20 o 119.480 2.1215 143.879  3.4951  117.296 3.3750 121.664 2.5716 -4.367569      4.243046 
1 1 1 7  27 22 o 55.007  3.2981 30.170   2.3762  56.447  5.5427 53.566  3.5760 2.880913       6.596109 
1 1 1 7  27 24 o 59.337  2.9876 34.949   2.3854  61.768  4.8585 56.907  3.4783 4.860748       5.975207 
1 1 1 7  27 26 o 29.971  5.8212 9.6196   2.4621  28.765  9.6211 31.177  6.5560 -2.412477      11.64243 
1 1 1 7  27 28 o 28.151  5.6022 8.3006   2.1283  28.372  9.5263 27.930  5.8981 0.4416122      11.20436 
1 1 1 7  27 30 o 66.863  3.0145 45.083   2.5834  67.973  5.1664 65.752  3.1075 2.221313       6.028926 
1 1 1 7  27 32 o 41.907  4.3468 18.367   2.4966  42.281  6.9467 41.533  5.2270 0.7484550      8.693550 
1 1 1 7  27 34 o 41.723  4.3750 18.573   2.5540  44.194  6.5014 39.251  5.8562 4.943146       8.750054 
1 1 1 7  27 36 o 21.087  5.6920 3.8277   2.4479  17.433  7.4447 24.742  8.6122 -7.308125      11.38390 
1 1 1 7  27 38 o 15.814  4.9438 -0.1014  2.1540  14.245  6.4561 17.384  7.4889 -3.139078      9.887602 
1 1 1 7  27 40 o 19.426  5.3208 3.1649   2.3193  22.545  7.6210 16.307  7.4272 6.238277       10.64159 
1 1 1 7  27 42 o 14.391  4.7362 -2.0537  2.2951  11.618  5.6312 17.165  7.6169 -5.547543      9.472459 
1 1 1 7  28 1  o 60.066  2.6688 36.183   2.2662  58.846  3.7976 61.286  3.7506 -2.439800      5.337543 
1 1 1 7  28 3  o 83.347  2.0858 69.600   2.4578  83.502  2.9057 83.192  2.9933 0.3104782      4.171672 
1 1 1 7  28 5  o 71.513  2.3334 50.970   2.3469  75.205  3.3961 67.822  3.2009 7.383186       4.666821 
1 1 1 7  28 7  o 122.244 2.0383 149.970  3.5013  120.431 3.0751 124.058 2.6764 -3.627090      4.076626 
1 1 1 7  28 9  o 182.001 1.9539 331.340  4.9665  183.203 2.9973 180.800 2.5074 2.402893       3.907801 
1 1 1 7  28 11 o 152.799 1.9810 233.924  4.2742  152.352 2.8918 153.246 2.7083 -0.8934021     3.961938 
1 1 1 7  28 13 o 67.170  2.6386 45.491   2.4836  64.876  4.0352 69.463  3.4010 -4.587730      5.277292 
1 1 1 7  28 15 o 79.356  2.5037 63.196   2.8080  77.151  3.5587 81.562  3.5228 -4.410851      5.007455 
1 1 1 7  28 17 o 131.660 2.0171 173.730  3.6891  132.078 3.1423 131.243 2.5298 0.8348999      4.034121 
1 1 1 7  28 19 o 136.808 2.2617 186.934  4.2282  139.211 3.6234 134.405 2.7078 4.805435       4.523444 
1 1 1 7  28 21 o 87.665  2.3583 76.896   2.6516  88.354  4.0469 86.975  2.4226 1.379288       4.716636 
1 1 1 7  28 23 o 36.242  5.1480 12.944   2.3774  43.026  8.0156 29.458  6.4621 13.56844       10.29604 
1 1 1 7  28 25 o 66.429  3.0467 45.468   2.5150  64.238  5.3675 68.621  2.8845 -4.383209      6.093431 
1 1 1 7  28 27 o 54.350  3.3851 30.123   2.5540  54.347  5.2869 54.353  4.2290 -0.6603241E-02 6.770239 
1 1 1 7  28 29 o 34.375  4.5112 12.567   2.0374  33.862  7.5488 34.888  4.9414 -1.026176      9.022337 
1 1 1 7  28 31 o 20.609  5.5282 3.1270   2.2921  19.113  8.4552 22.104  7.1240 -2.990116      11.05634 
1 1 1 7  28 33 o 16.336  5.1314 -0.4625  2.2779  17.584  7.8408 15.089  6.6218 2.495080       10.26281 
1 1 1 7  28 35 o 54.008  3.0315 30.521   2.2702  53.734  4.7531 54.283  3.7640 -0.5490112     6.062979 
1 1 1 7  28 37 o 41.711  4.4446 19.860   2.3882  39.254  7.5906 44.168  4.6260 -4.914639      8.889155 
1 1 1 7  28 39 o 30.321  4.6860 10.998   2.0108  25.354  7.3692 35.287  5.7902 -9.932882      9.371908 
1 1 1 7  28 41 o 35.057  4.4738 14.404   2.0507  31.884  5.2067 38.231  7.2766 -6.346764      8.947594 
1 1 1 7  29 0  o 215.965 3.0466 467.130  13.153  215.965 3.0466 ?       ?      0.000000       0.000000 
1 1 1 7  29 2  o 154.241 1.8734 237.735  4.0705  157.435 2.7578 151.047 2.5363 6.388367       3.746814 
1 1 1 7  29 4  o 271.865 2.6405 741.070  10.149  276.617 3.7394 267.112 3.7290 9.504395       5.280965 
1 1 1 7  29 6  o 300.397 3.0996 905.299  13.092  303.366 4.6304 297.428 4.1218 5.938049       6.199160 
1 1 1 7  29 8  o 166.888 2.2390 280.436  5.1859  163.499 3.5147 170.277 2.7748 -6.778091      4.478062 
1 1 1 7  29 10 f 32.037  5.1768 10.713   2.2543  33.500  7.9280 30.574  6.6591 2.925179       10.35363 
1 1 1 7  29 12 o 110.519 2.0156 120.075  2.9710  115.911 3.3051 105.127 2.3080 10.78412       4.031225 
1 1 1 7  29 14 o 83.760  2.2568 71.310   2.5789  80.026  3.6702 87.494  2.6272 -7.468086      4.513562 
1 1 1 7  29 16 o 77.356  2.4710 60.001   2.6270  77.961  3.9312 76.750  2.9949 1.210411       4.942082 
1 1 1 7  29 18 o 71.628  2.4204 51.675   2.3843  71.131  3.8599 72.125  2.9214 -0.9934998     4.840773 
1 1 1 7  29 20 o 63.402  2.7398 40.291   2.1537  63.785  4.8049 63.020  2.6343 0.7648239      5.479674 
1 1 1 7  29 22 o 39.603  4.3291 15.411   2.2583  43.222  7.0909 35.984  4.9684 7.237740       8.658287 
1 1 1 7  29 24 o 77.884  2.3643 61.118   2.4519  77.922  3.9332 77.846  2.6247 0.7631683E-01  4.728524 
1 1 1 7  29 26 o 31.447  5.3030 10.713   2.2951  33.001  8.0036 29.892  6.9591 3.109186       10.60598 
1 1 1 7  29 28 o 32.253  5.2394 11.120   2.2779  36.817  7.8617 27.688  6.9282 9.128242       10.47884 
1 1 1 7  29 30 o 32.802  5.3004 12.007   2.1844  31.908  9.3864 33.697  4.9266 -1.788954      10.60073 
1 1 1 7  29 32 o 22.039  5.9092 4.5730   2.1822  25.666  9.7406 18.412  6.6930 7.253426       11.81847 
1 1 1 7  29 34 o 18.699  5.7993 1.0962   2.5798  22.688  9.5584 14.711  6.5698 7.977101       11.59855 
1 1 1 7  29 36 o 17.602  5.0665 0.1898   2.3556  13.051  6.3051 22.152  7.9324 -9.100827      10.13293 
1 1 1 7  29 38 o 21.336  5.9940 4.6329   2.6253  16.396  7.1223 26.276  9.6429 -9.880354      11.98800 
1 1 1 7  29 40 o 16.540  5.2094 1.2422   2.4545  17.421  7.6456 15.660  7.0777 1.760602       10.41872 
1 1 1 7  30 1  o 78.241  2.7096 61.272   2.8918  79.045  4.3620 77.438  3.2157 1.607452       5.419190 
1 1 1 7  30 3  o 76.334  2.8192 58.484   3.0057  76.760  4.3255 75.909  3.6169 0.8512650      5.638430 
1 1 1 7  30 5  o 64.322  2.4209 41.458   2.1987  66.248  3.4697 62.397  3.3769 3.850346       4.841716 
1 1 1 7  30 7  o 105.136 2.2053 110.901  3.2113  105.126 3.4620 105.147 2.7326 -0.2129364E-01 4.410534 
1 1 1 7  30 9  o 171.682 2.1593 295.576  5.2163  172.502 3.2202 170.862 2.8775 1.639877       4.318541 
1 1 1 7  30 11 o 93.532  2.2118 87.206   2.8263  95.591  3.5402 91.473  2.6525 4.117912       4.423637 
1 1 1 7  30 13 o 119.151 2.1432 141.137  3.4377  122.275 3.4986 116.027 2.4764 6.248245       4.286371 
1 1 1 7  30 15 o 104.897 2.3418 111.342  3.3489  102.479 3.8006 107.314 2.7369 -4.834167      4.683562 
1 1 1 7  30 17 o 88.858  2.7188 79.656   3.1434  88.331  4.6263 89.385  2.8573 -1.053642      5.437523 
1 1 1 7  30 19 o 74.316  2.7976 55.320   2.7016  75.319  4.7473 73.312  2.9612 2.007484       5.595120 
1 1 1 7  30 21 o 44.354  4.7003 21.038   2.5781  41.648  8.2659 47.060  4.4774 -5.411831      9.400633 
1 1 1 7  30 23 o 49.931  3.9216 25.692   2.4463  49.267  6.8688 50.595  3.7859 -1.328320      7.843105 
1 1 1 7  30 25 o 28.867  5.6358 9.0252   2.3654  24.901  9.9739 32.833  5.2507 -7.931887      11.27158 
1 1 1 7  30 27 o 73.503  2.7513 56.264   2.6505  69.470  4.6874 77.537  2.8822 -8.066582      5.502661 
1 1 1 7  30 29 o 33.975  5.9695 13.132   2.5360  33.184  10.685 34.765  5.3262 -1.580639      11.93900 
1 1 1 7  30 31 o 19.705  5.6319 2.6148   2.2925  19.928  8.9408 19.483  6.8508 0.4448147      11.26372 
1 1 1 7  30 33 o 24.075  5.8313 6.5383   2.6051  20.576  8.8263 27.573  7.6232 -6.996460      11.66261 
1 1 1 7  30 35 o 28.204  4.8677 9.6166   2.2915  37.536  5.7836 18.873  7.8312 18.66275       9.735386 
1 1 1 7  30 37 o 23.229  5.3861 6.9836   2.0113  24.239  8.0833 22.218  7.1203 2.021320       10.77214 
1 1 1 7  30 39 o 17.652  5.3020 2.2862   2.4294  18.788  7.2223 16.516  7.7643 2.272573       10.60401 
1 1 1 7  31 0  o 95.685  2.8751 91.945   5.4911  95.685  2.8751 ?       ?      0.000000       0.000000 
1 1 1 7  31 2  o 58.632  2.9236 34.341   2.3994  61.260  4.3776 56.004  3.8764 5.256298       5.847196 
1 1 1 7  31 4  f 28.574  5.6192 8.4551   2.4196  33.241  7.8077 23.908  8.0833 9.332739       11.23837 
1 1 1 7  31 6  o 36.319  3.7397 13.364   1.9134  35.514  5.5734 37.124  4.9878 -1.609299      7.479403 
1 1 1 7  31 8  o 108.591 2.1210 118.386  3.2551  108.406 3.0628 108.775 2.9350 -0.3693619     4.242002 
1 1 1 7  31 10 o 62.722  2.8459 39.839   2.4492  61.492  4.5687 63.952  3.3946 -2.460007      5.691785 
1 1 1 7  31 12 o 56.713  2.9165 32.499   2.3266  55.344  4.3841 58.082  3.8476 -2.738716      5.833011 
1 1 1 7  31 14 o 95.942  2.1790 92.511   2.9024  95.631  3.4052 96.254  2.7198 -0.6232071     4.358002 
1 1 1 7  31 16 o 90.788  2.2915 82.500   2.8038  91.989  3.7482 89.587  2.6371 2.402184       4.582915 
1 1 1 7  31 18 o 40.699  4.6683 17.403   2.2921  39.854  8.2857 41.543  4.3035 -1.689426      9.336637 
1 1 1 7  31 20 o 54.694  2.9097 30.336   2.2056  54.550  4.5649 54.838  3.6095 -0.2875671     5.819490 
1 1 1 7  31 22 f 25.486  5.9008 6.3556   2.1218  28.325  9.8813 22.646  6.4526 5.678219       11.80156 
1 1 1 7  31 24 o 15.981  5.0559 -1.1763  2.1044  19.487  8.3226 12.475  5.7430 7.011458       10.11176 
1 1 1 7  31 26 o 38.129  4.8426 15.837   2.4538  38.289  7.9377 37.969  5.5494 0.3193092      9.685177 
1 1 1 7  31 28 o 27.172  5.8028 8.5500   2.5150  23.676  9.5175 30.668  6.6415 -6.992262      11.60570 
1 1 1 7  31 30 o 36.073  5.7931 14.893   2.3610  35.191  10.680 36.955  4.4923 -1.763897      11.58628 
1 1 1 7  31 32 o 25.442  5.9972 7.5088   2.2843  27.985  9.7868 22.899  6.9343 5.085810       11.99444 
1 1 1 7  31 34 o 30.424  5.7331 11.317   2.3439  33.420  9.2465 27.428  6.7807 5.992516       11.46625 
1 1 1 7  31 36 o 56.728  3.3992 35.770   2.7133  53.030  5.0570 60.426  4.5437 -7.395931      6.798367 
1 1 1 7  31 38 o 15.999  4.9682 1.4441   2.1690  15.150  6.7720 16.848  7.2712 -1.697821      9.936333 
1 1 1 7  32 1  o 167.500 2.0228 281.155  4.7675  165.066 2.7077 169.935 3.0059 -4.869522      4.045629 
1 1 1 7  32 3  o 93.239  2.1892 87.526   2.8605  91.773  3.3396 94.705  2.8317 -2.931908      4.378482 
1 1 1 7  32 5  o 35.614  4.6144 13.153   2.2555  35.249  7.1326 35.979  5.8564 -0.7296906     9.228789 
1 1 1 7  32 7  o 62.492  3.0563 39.259   2.6270  63.182  4.8508 61.801  3.7194 1.380833       6.112578 
1 1 1 7  32 9  o 74.590  2.5752 56.022   2.7133  73.172  3.7522 76.008  3.5282 -2.835571      5.150459 
1 1 1 7  32 11 o 42.901  4.0242 18.715   2.3994  42.753  6.2726 43.049  5.0429 -0.2960434     8.048428 
1 1 1 7  32 13 o 66.413  3.1356 43.775   2.7196  69.139  5.2640 63.688  3.4087 5.451435       6.271266 
1 1 1 7  32 15 o 56.610  2.8249 32.582   2.2056  55.407  4.4943 57.812  3.4238 -2.405296      5.649881 
1 1 1 7  32 17 o 26.264  6.0153 6.9935   2.6291  23.818  9.2889 28.711  7.6453 -4.893053      12.03059 
1 1 1 7  32 19 o 49.545  4.0741 24.678   2.6832  52.583  6.6786 46.508  4.6679 6.075214       8.148155 
1 1 1 7  32 21 o 38.316  4.3715 15.802   2.0987  36.325  7.6255 40.308  4.2770 -3.983147      8.743074 
1 1 1 7  32 23 o 31.328  6.1456 10.872   2.5952  31.964  10.345 30.692  6.6371 1.271795       12.29117 
1 1 1 7  32 25 o 56.854  3.9421 34.788   2.7188  54.440  7.0371 59.268  3.5552 -4.827232      7.884169 
1 1 1 7  32 27 o 21.197  5.7260 4.2523   2.2389  22.213  9.0694 20.182  6.9922 2.031672       11.45191 
1 1 1 7  32 29 o 24.775  5.6140 7.1257   2.1454  28.139  8.6745 21.412  7.1288 6.727436       11.22795 
1 1 1 7  32 31 o 38.509  4.6033 16.805   2.2986  38.380  7.7577 38.638  4.9576 -0.2577553     9.206513 
1 1 1 7  32 33 o 35.278  5.9096 15.926   2.7188  32.893  10.411 37.663  5.5946 -4.769985      11.81910 
1 1 1 7  32 35 o 25.493  5.5337 8.9041   2.3091  21.865  8.3585 29.121  7.2541 -7.255190      11.06734 
1 1 1 7  33 0  o 184.737 2.9049 342.238  10.727  184.737 2.9049 ?       ?      0.000000       0.000000 
1 1 1 7  33 2  o 127.265 2.1107 162.586  3.7967  124.645 2.9711 129.885 2.9987 -5.239380      4.221338 
1 1 1 7  33 4  o 25.515  5.5749 6.3347   2.1907  30.515  8.4855 20.515  7.2330 9.999905       11.14989 
1 1 1 7  33 6  o 16.736  5.1254 -0.7734  2.2555  19.021  7.8581 14.451  6.5824 4.569889       10.25072 
1 1 1 7  33 8  o 68.024  3.8474 47.956   3.4616  71.158  4.1276 64.891  6.4941 6.266281       7.694882 
1 1 1 7  33 10 o 95.893  2.4776 91.355   3.2424  100.564 3.9365 91.222  3.0098 9.341736       4.955281 
1 1 1 7  33 12 o 92.691  2.6699 86.600   3.3297  93.202  4.3845 92.179  3.0478 1.023048       5.339709 
1 1 1 7  33 14 o 19.880  5.7542 1.8134   2.4519  22.855  9.0496 16.904  7.1098 5.950979       11.50843 
1 1 1 7  33 16 o 58.024  3.0397 34.436   2.3188  57.205  5.1344 58.842  3.2553 -1.636776      6.079381 
1 1 1 7  33 18 o 50.836  3.9090 26.585   2.7731  52.637  5.9438 49.034  5.0785 3.603420       7.817924 
1 1 1 7  33 20 o 35.559  5.4166 13.619   2.5109  38.222  8.7107 32.896  6.4408 5.325436       10.83327 
1 1 1 7  33 22 o 26.506  5.7953 7.4309   2.4312  33.361  8.8486 19.650  7.4864 13.71066       11.59068 
1 1 1 7  33 24 o 20.749  5.7330 3.3600   2.3384  25.162  9.1740 16.336  6.8781 8.825659       11.46605 
1 1 1 7  33 26 o 45.339  4.2413 21.831   2.5297  46.854  7.0863 43.824  4.6623 3.030388       8.482517 
1 1 1 7  33 28 o 31.475  5.1683 12.351   2.2407  25.323  9.1798 37.626  4.7515 -12.30364      10.33656 
1 1 1 7  33 30 o 22.664  5.7390 5.8158   2.3263  21.371  9.2099 23.956  6.8499 -2.585505      11.47793 
1 1 1 7  33 32 o 18.005  5.6416 1.6343   2.6172  19.749  8.8619 16.261  6.9839 3.487808       11.28312 
1 1 1 7  33 34 o 16.194  5.3316 -2.9660  3.2106  14.792  7.3439 17.595  7.7312 -2.802472      10.66322 
1 1 1 7  34 1  o 60.077  4.3341 37.082   3.6489  60.047  5.6357 60.106  6.5862 -0.5860138E-01 8.668297 
1 1 1 7  34 3  o 92.805  2.8890 87.603   3.7628  96.903  3.7558 88.707  4.3907 8.195221       5.777917 
1 1 1 7  34 5  o 120.685 2.7065 147.399  4.5653  121.587 3.4659 119.783 4.1578 1.804321       5.412963 
1 1 1 7  34 7  o 88.266  2.3767 78.454   2.8691  88.692  3.8155 87.839  2.8349 0.8527222      4.753414 
1 1 1 7  34 9  o 58.548  3.1795 35.231   2.5540  56.093  5.1223 61.003  3.7681 -4.909748      6.358989 
1 1 1 7  34 11 o 132.568 2.2230 177.767  4.1346  130.493 3.3762 134.643 2.8927 -4.150665      4.445960 
1 1 1 7  34 13 o 119.316 2.1026 143.812  3.5411  117.975 3.0850 120.658 2.8576 -2.683098      4.205107 
1 1 1 7  34 15 f 76.704  2.7953 59.870   2.9344  76.865  4.4857 76.542  3.3368 0.3233109      5.590640 
1 1 1 7  34 17 o 69.203  3.0556 49.912   2.5642  66.767  5.4510 71.639  2.7630 -4.871475      6.111251 
1 1 1 7  34 19 o 84.741  2.4259 73.672   2.7377  83.639  4.0460 85.844  2.6777 -2.204918      4.851848 
1 1 1 7  34 21 o 96.680  2.5206 97.115   3.1716  93.374  4.3081 99.987  2.6182 -6.613503      5.041260 
1 1 1 7  34 23 o 19.957  5.7820 2.8530   2.5416  20.664  8.7001 19.249  7.6181 1.414478       11.56405 
1 1 1 7  34 25 o 22.330  5.5749 5.2138   2.1180  27.349  8.8297 17.312  6.8084 10.03701       11.14984 
1 1 1 7  34 27 o 17.233  5.4007 0.2704   2.4789  17.970  8.3030 16.496  6.9086 1.473120       10.80134 
1 1 1 7  34 29 o 20.350  5.9140 3.7885   2.6335  20.647  9.1235 20.053  7.5275 0.5935116      11.82794 
1 1 1 7  34 31 o 19.245  5.8561 3.3968   2.7583  20.700  8.9839 17.789  7.5142 2.911610       11.71210 
1 1 1 7  34 33 o 29.349  6.1046 12.574   2.4576  27.659  10.760 31.039  5.7700 -3.379322      12.20922 
1 1 1 7  35 0  f 13.604  8.4968 1.5324   4.5972  13.604  8.4968 ?       ?      0.000000       0.000000 
1 1 1 7  35 2  o 135.443 2.3177 185.753  4.3603  137.021 2.8891 133.866 3.6250 3.155075       4.635496 
1 1 1 7  35 4  o 163.706 2.4186 271.703  5.4955  165.653 3.0065 161.758 3.7894 3.894836       4.837185 
1 1 1 7  35 6  o 69.540  2.6027 48.999   2.5397  69.835  3.9315 69.245  3.4117 0.5890656      5.205467 
1 1 1 7  35 8  o 20.417  5.6278 2.6261   2.4492  18.554  8.0818 22.279  7.8341 -3.724661      11.25563 
1 1 1 7  35 10 o 28.172  5.8596 8.7721   2.4754  28.932  8.6260 27.412  7.9329 1.520002       11.71923 
1 1 1 7  35 12 o 24.899  5.8290 6.3595   2.2986  28.203  9.0255 21.596  7.3790 6.607491       11.65801 
1 1 1 7  35 14 o 31.136  6.3131 11.013   2.8247  32.417  9.9131 29.856  7.8200 2.561182       12.62624 
1 1 1 7  35 16 o 36.735  5.1722 15.755   2.4758  31.618  9.0366 41.851  5.0346 -10.23367      10.34441 
1 1 1 7  35 18 o 27.675  5.3782 8.6454   2.4135  21.419  9.4809 33.932  5.0807 -12.51289      10.75648 
1 1 1 7  35 20 o 18.818  5.7000 1.3747   2.6832  19.264  8.3713 18.371  7.7382 0.8931484      11.39992 
1 1 1 7  35 22 o 27.570  6.4749 8.7908   2.5485  31.355  10.775 23.785  7.1833 7.570641       12.94970 
1 1 1 7  35 24 o 31.218  5.7654 11.616   2.4121  33.213  9.3881 29.223  6.6951 3.989738       11.53086 
1 1 1 7  35 26 o 31.037  6.2659 11.923   2.7372  37.525  9.7733 24.548  7.8441 12.97718       12.53183 
1 1 1 7  35 28 o 20.438  5.8758 4.3819   2.5971  20.696  8.9399 20.180  7.6275 0.5160637      11.75159 
1 1 1 7  35 30 o 27.745  5.2259 10.688   2.5818  19.678  8.9792 35.811  5.3490 -16.13272      10.45172 
1 1 1 7  36 1  o 28.050  5.6699 8.7475   2.3625  27.763  8.0449 28.337  7.9920 -0.5736008     11.33988 
1 1 1 7  36 3  o 94.335  2.5610 90.372   3.4085  95.446  3.7462 93.223  3.4931 2.223320       5.122091 
1 1 1 7  36 5  o 61.137  3.7126 39.868   2.9116  56.469  6.4450 65.805  3.6872 -9.335152      7.425204 
1 1 1 7  36 7  o 26.038  6.2084 7.2008   2.6832  28.022  9.2361 24.055  8.2989 3.966694       12.41683 
1 1 1 7  36 9  o 49.265  3.9874 25.824   2.6832  46.292  6.4827 52.238  4.6448 -5.945698      7.974900 
1 1 1 7  36 11 o 44.533  4.6114 21.263   2.8627  46.457  7.0094 42.608  5.9942 3.849251       9.222891 
1 1 1 7  36 13 o 20.397  5.8280 2.7971   2.6463  22.695  8.6690 18.099  7.7917 4.596003       11.65595 
1 1 1 7  36 15 o 58.320  3.3632 35.759   2.7084  57.498  5.3303 59.142  4.1026 -1.643887      6.726319 
1 1 1 7  36 17 o 44.369  4.4227 22.041   2.4519  41.141  7.7339 47.597  4.2927 -6.456135      8.845391 
1 1 1 7  36 19 o 31.747  6.0171 12.098   2.6714  36.110  9.1735 27.385  7.7890 8.725252       12.03417 
1 1 1 7  36 21 o 62.289  3.5442 41.961   2.8651  59.917  6.0742 64.662  3.6536 -4.744225      7.088307 
1 1 1 7  36 23 o 48.826  4.1119 26.320   2.4248  47.882  7.3342 49.770  3.7204 -1.888195      8.223901 
1 1 1 7  36 25 o 18.713  5.5490 1.7738   2.5681  17.709  8.3499 19.716  7.3107 -2.006849      11.09805 
1 1 1 7  36 27 o 20.647  5.7251 5.1240   2.4247  20.299  8.6775 20.995  7.4706 -0.6956406     11.45026 
1 1 1 7  36 29 o 21.619  6.3480 6.5326   2.9508  22.921  10.015 20.317  7.8035 2.604321       12.69605 
1 1 1 7  37 0  o 51.372  4.6714 27.583   4.7249  51.372  4.6714 ?       ?      0.000000       0.000000 
1 1 1 7  37 2  o 34.815  5.3190 13.840   2.5476  38.677  7.2022 30.953  7.8292 7.724493       10.63802 
1 1 1 7  37 4  o 78.068  2.3834 62.318   2.5930  77.899  3.6885 78.238  3.0196 -0.3394852     4.766843 
1 1 1 7  37 6  o 114.323 2.3215 133.517  3.7022  114.065 3.5825 114.580 2.9535 -0.5146027     4.643001 
1 1 1 7  37 8  o 34.337  5.7115 13.884   2.6728  32.357  9.3442 36.317  6.5704 -3.960167      11.42298 
1 1 1 7  37 10 o 20.174  5.7162 2.7456   2.5930  18.176  8.0333 22.173  8.1343 -3.997326      11.43245 
1 1 1 7  37 12 o 40.796  4.6176 17.659   2.5586  45.538  7.1509 36.054  5.8443 9.484665       9.235260 
1 1 1 7  37 14 o 52.383  3.7521 29.333   2.7084  51.259  5.9791 53.506  4.5346 -2.247414      7.504158 
1 1 1 7  37 16 o 71.692  2.8500 53.837   2.7606  71.093  4.6702 72.291  3.2680 -1.197670      5.700084 
1 1 1 7  37 18 o 54.117  3.3451 31.201   2.5524  51.019  4.8809 57.215  4.5755 -6.195419      6.690159 
1 1 1 7  37 20 o 48.818  5.0626 28.696   2.7503  43.634  9.3433 54.003  3.9018 -10.36863      10.12525 
1 1 1 7  37 22 o 56.496  3.7765 34.608   2.6494  56.950  6.6148 56.041  3.6459 0.9094429      7.553071 
1 1 1 7  37 24 o 16.861  5.2320 -0.1756  2.6338  15.098  7.3385 18.623  7.4593 -3.524634      10.46395 
1 1 1 7  37 26 o 30.919  5.3905 14.302   2.6804  21.619  9.5922 40.220  4.9214 -18.60087      10.78098 
1 1 1 7  38 1  o 85.075  2.6310 74.806   3.1603  82.908  3.8507 87.241  3.5862 -4.333672      5.262022 
1 1 1 7  38 3  o 18.021  5.4640 0.4062   2.6033  16.534  7.6534 19.508  7.8005 -2.974100      10.92801 
1 1 1 7  38 5  o 54.617  3.9018 31.637   2.8451  55.422  6.4516 53.812  4.3903 1.610676       7.803681 
1 1 1 7  38 7  o 36.852  5.8470 16.170   2.9922  33.581  9.5955 40.122  6.6839 -6.540646      11.69395 
1 1 1 7  38 9  o 31.557  5.5460 12.043   2.4538  28.387  9.1293 34.726  6.2998 -6.338400      11.09195 
1 1 1 7  38 11 o 18.594  5.7796 -0.0555  3.0674  17.366  8.1746 19.821  8.1726 -2.454380      11.55921 
1 1 1 7  38 13 o 29.046  5.9791 10.602   2.6728  25.940  9.4618 32.151  7.3125 -6.210402      11.95822 
1 1 1 7  38 15 o 30.454  6.6113 11.639   2.9085  34.433  10.524 26.474  8.0051 7.959162       13.22261 
1 1 1 7  38 17 o 19.111  5.7467 2.3115   2.6516  19.251  8.7038 18.971  7.5061 0.2801971      11.49337 
1 1 1 7  38 19 o 15.921  5.1670 -1.3755  2.6402  16.722  7.6125 15.120  6.9886 1.601428       10.33396 
1 1 1 7  38 21 o 20.289  5.9119 4.5140   2.5798  21.109  9.2358 19.469  7.3827 1.640114       11.82387 
1 1 1 7  38 23 o 14.822  4.9909 -3.8073  2.8568  15.015  7.3947 14.630  6.7047 0.3841820      9.981750 
1 1 1 7  39 0  o 48.363  5.1186 25.029   4.8526  48.363  5.1186 ?       ?      0.000000       0.000000 
1 1 1 7  39 2  o 64.699  3.4555 44.967   3.0227  62.993  5.6763 66.405  3.9423 -3.412586      6.910954 
1 1 1 7  39 4  o 52.713  3.8528 29.939   2.8506  57.155  5.4740 48.271  5.4233 8.884235       7.705627 
1 1 1 7  39 6  o 41.480  4.2941 18.775   2.4894  45.677  6.1506 37.283  5.9940 8.393684       8.588291 
1 1 1 7  39 8  o 35.635  5.2420 15.012   2.5540  33.811  8.5005 37.459  6.1364 -3.647732      10.48394 
1 1 1 7  39 10 o 33.437  6.4467 14.022   3.0648  39.765  9.7058 27.108  8.4875 12.65753       12.89343 
1 1 1 7  39 12 o 23.486  6.0912 6.6724   2.6072  23.847  9.2171 23.125  7.9659 0.7219067      12.18237 
1 1 1 7  39 14 o 22.133  6.3019 5.3769   2.8229  24.160  9.9114 20.107  7.7860 4.052500       12.60389 
1 1 1 7  39 16 o 27.719  6.1870 10.323   2.6682  28.738  9.3338 26.700  8.1239 2.038445       12.37408 
1 1 1 7  39 18 o 37.164  5.5556 18.346   2.8605  32.001  9.1277 42.327  6.3357 -10.32542      11.11111 
1 1 1 7  39 20 o 25.151  5.2246 8.2441   2.5971  17.374  8.0748 32.927  6.6320 -15.55321      10.44918 
1 1 1 7  39 22 o 17.822  5.6293 2.2863   2.8177  18.365  8.4732 17.278  7.4137 1.087173       11.25867 
1 1 1 7  40 1  o 100.318 2.5582 105.077  3.5734  99.673  3.9717 100.963 3.2253 -1.290024      5.116358 
1 1 1 7  40 3  o 93.173  2.4304 90.361   3.1810  92.265  3.6678 94.080  3.1898 -1.815239      4.860804 
1 1 1 7  40 5  o 41.573  5.0362 20.460   2.9020  42.950  6.9870 40.195  7.2548 2.755157       10.07231 
1 1 1 7  40 7  o 17.889  5.6742 0.4573   2.8918  18.893  8.5440 16.886  7.4690 2.006374       11.34843 
1 1 1 7  40 9  o 20.358  5.7469 2.6089   2.9110  16.332  7.7316 24.384  8.5047 -8.052446      11.49380 
1 1 1 7  40 11 o 23.433  6.2469 6.7681   2.6338  26.385  9.8756 20.481  7.6529 5.903555       12.49378 
1 1 1 7  40 13 o 21.146  5.9584 5.2473   2.7862  19.159  8.3923 23.133  8.4605 -3.973698      11.91679 
1 1 1 7  40 15 o 18.118  5.6483 2.1129   2.7862  19.017  8.3607 17.219  7.5968 1.798685       11.29656 
1 1 1 7  40 17 o 22.682  5.9238 6.7708   2.9085  18.809  8.7386 26.556  8.0001 -7.746532      11.84754 
1 1 1 7  41 0  f 47.050  6.1373 24.902   5.6188  47.050  6.1373 ?       ?      0.000000       0.000000 
1 1 1 7  41 2  o 51.815  4.4595 31.761   3.0648  47.463  7.5334 56.167  4.7745 -8.703869      8.919003 
1 1 1 7  41 4  o 24.795  6.2984 8.5985   2.8719  27.066  8.9364 22.525  8.8779 4.541113       12.59671 
1 1 1 7  41 6  o 15.365  5.0964 -3.6304  2.9048  17.903  7.9992 12.826  6.3171 5.077406       10.19279 
1 1 1 7  41 8  o 26.916  6.6133 10.901   3.0411  27.537  9.9355 26.295  8.7310 1.242607       13.22663 
1 1 1 7  41 10 o 19.881  5.9939 4.1757   2.9522  20.521  8.7688 19.241  8.1740 1.279963       11.98771 
1 1 1 7  41 12 o 22.779  5.9658 7.2531   2.4248  23.038  9.4768 22.520  7.2493 0.5181713      11.93153 
1 1 1 7  41 14 o 20.208  6.1841 4.7226   3.2968  19.572  9.0894 20.844  8.3876 -1.272642      12.36812 
1 1 1 7  42 1  o 18.528  5.7676 2.7442   2.9246  20.232  8.6642 16.823  7.6153 3.409611       11.53521 
1 1 1 7  42 3  o 17.902  5.5948 2.1956   2.8080  16.542  7.5294 19.261  8.2774 -2.718590      11.18964 
1 1 1 7  42 5  o 17.517  5.5519 1.3264   2.9412  16.353  7.6883 18.682  8.0115 -2.328279      11.10378 
1 1 1 7  42 7  o 25.314  6.3552 10.070   2.8676  27.299  9.2361 23.330  8.7321 3.969030       12.71041 
1 1 1 8  1  1  o 512.108 3.2753 2623.06  23.720  509.422 4.6375 514.795 4.6264 -5.372803      6.550571 
1 1 1 8  1  3  o 260.142 1.9177 676.387  7.0484  263.123 2.7664 257.160 2.6567 5.963043       3.835479 
1 1 1 8  1  5  o 500.390 3.0994 2504.56  21.933  497.812 4.3994 502.967 4.3670 -5.154694      6.198814 
1 1 1 8  1  7  o 253.438 1.8180 640.576  6.4727  258.664 2.7153 248.213 2.4181 10.45097       3.635930 
1 1 1 8  1  9  f 226.029 1.7667 512.775  5.5065  229.197 2.1451 222.862 2.8077 6.334763       3.533377 
1 1 1 8  1  11 o 331.784 2.3152 1101.13  10.550  331.825 2.7901 331.743 3.6954 0.8218384E-01  4.630434 
1 1 1 8  1  13 o 604.660 3.8441 3661.73  32.018  607.201 4.6689 602.118 6.1081 5.083374       7.688126 
1 1 1 8  1  15 o 358.703 3.1953 1288.99  16.097  363.006 4.1863 354.399 4.8284 8.607452       6.390508 
1 1 1 8  1  17 o 582.905 3.6397 3401.63  29.592  585.452 4.6242 580.359 5.6220 5.093567       7.279420 
1 1 1 8  1  19 o 295.668 2.0844 872.856  8.5916  293.189 2.6569 298.148 3.2124 -4.959320      4.168741 
1 1 1 8  1  21 o 330.489 2.3345 1091.79  10.535  329.824 2.7683 331.154 3.7598 -1.330048      4.669044 
1 1 1 8  1  23 o 163.258 1.5382 266.960  3.2481  163.753 1.5987 162.764 2.6283 0.9892273      3.076351 
1 1 1 8  1  25 o 192.034 1.7430 371.878  4.3977  195.651 1.8602 188.417 2.9482 7.234207       3.486040 
1 1 1 8  1  27 o 199.611 1.7740 400.327  4.5804  201.434 1.8385 197.788 3.0345 3.646164       3.548019 
1 1 1 8  1  29 o 190.074 2.5307 361.701  5.2260  190.176 1.9473 189.972 4.6718 0.2033081      5.061443 
1 1 1 8  1  31 o 168.116 1.8885 279.042  3.9277  164.354 1.8259 171.878 3.3062 -7.524567      3.776917 
1 1 1 8  1  33 o 90.976  1.7343 85.252   1.9832  95.938  1.6638 86.013  3.0436 9.925018       3.468676 
1 1 1 8  1  35 o 125.302 1.7646 155.855  2.6953  123.659 1.6523 126.945 3.1185 -3.286201      3.529140 
1 1 1 8  1  37 o 100.953 1.6508 102.118  2.1851  101.167 1.7672 100.739 2.7888 0.4288559      3.301588 
1 1 1 8  1  39 o 44.388  2.6221 19.894   1.6125  45.556  3.2236 43.221  4.1365 2.335068       5.244246 
1 1 1 8  1  41 o 29.649  4.4956 9.2191   1.6579  30.838  4.1411 28.461  7.9808 2.376842       8.991150 
1 1 1 8  1  43 o 21.626  4.5384 4.7249   1.5775  24.853  5.5385 18.398  7.1911 6.455160       9.076705 
1 1 1 8  1  45 o 37.190  4.0829 15.222   1.9344  44.201  4.0447 30.179  7.0938 14.02209       8.165886 
1 1 1 8  1  47 o 25.900  5.0610 7.3531   1.8784  27.317  5.7865 24.483  8.3048 2.834105       10.12193 
1 1 1 8  1  49 o 28.305  4.8832 9.0123   1.8590  28.370  5.6008 28.240  8.0009 0.1307888      9.766426 
1 1 1 8  1  51 o 34.571  5.0060 16.256   2.0242  44.355  3.3109 24.786  9.4487 19.56935       10.01204 
1 1 1 8  1  53 o 43.431  4.0608 20.866   2.2067  43.686  3.9462 43.175  7.0985 0.5107117      8.121697 
1 1 1 8  1  55 o 17.403  5.1543 2.7821   2.0523  17.002  6.5811 17.804  7.9345 -0.8022461     10.30860 
1 1 1 8  2  0  o 603.910 5.2450 3648.42  63.340  603.910 5.2450 ?       ?      0.000000       0.000000 
1 1 1 8  2  2  o 663.443 5.3710 4394.88  49.178  657.977 6.5988 668.908 8.4764 -10.93134      10.74210 
1 1 1 8  2  4  o 504.342 3.1154 2544.02  22.215  505.903 4.4552 502.780 4.3559 3.123566       6.230828 
1 1 1 8  2  6  o 229.199 2.0817 527.670  6.4833  232.296 2.4188 226.102 3.3888 6.193817       4.163460 
1 1 1 8  2  8  o 279.330 1.9254 782.748  7.5360  285.127 2.4857 273.533 2.9412 11.59427       3.850895 
1 1 1 8  2  10 f 158.814 1.3722 250.922  2.9996  155.761 1.6807 161.868 2.1695 -6.106796      2.744379 
1 1 1 8  2  12 o 733.889 4.5794 5391.27  46.324  734.495 5.5810 733.283 7.2620 1.212219       9.158850 
1 1 1 8  2  14 o 837.643 5.1384 7022.02  59.390  838.250 6.2841 837.036 8.1316 1.214478       10.27684 
1 1 1 8  2  16 o 221.445 2.0865 493.177  6.4542  229.087 2.6478 213.803 3.2253 15.28453       4.172972 
1 1 1 8  2  18 o 1056.57 6.0828 11173.03 90.882  1051.41 8.5566 1061.74 8.6478 -10.33191      12.16553 
1 1 1 8  2  20 o 578.759 3.5736 3351.71  29.243  573.534 5.1211 583.984 4.9857 -10.44995      7.147240 
1 1 1 8  2  22 o 288.052 2.0220 829.938  8.2362  287.830 2.8838 288.274 2.8351 -0.4443359     4.044045 
1 1 1 8  2  24 o 280.879 2.0447 790.343  7.9154  282.503 2.4862 279.254 3.2468 3.248932       4.089333 
1 1 1 8  2  26 o 31.208  2.5313 9.6323   1.0946  29.676  3.2274 32.739  3.9005 -3.063250      5.062594 
1 1 1 8  2  28 o 235.609 1.8567 553.749  5.9800  233.336 2.2165 237.882 2.9794 -4.545303      3.713429 
1 1 1 8  2  30 o 275.093 2.4121 756.187  9.1643  273.090 2.9694 277.096 3.8020 -4.006134      4.824172 
1 1 1 8  2  32 f 142.931 1.4788 204.348  2.9275  142.827 1.8329 143.035 2.3213 -0.2082520     2.957665 
1 1 1 8  2  34 o 109.821 1.4271 120.794  2.1802  110.351 1.7937 109.292 2.2200 1.058884       2.854108 
1 1 1 8  2  36 o 239.681 2.0149 576.922  6.6814  242.375 2.4763 236.986 3.1792 5.389359       4.029844 
1 1 1 8  2  38 f 47.205  3.0464 21.761   1.6706  45.447  2.6694 48.963  5.4770 -3.516045      6.092874 
1 1 1 8  2  40 o 78.046  1.9390 60.377   1.8978  76.509  1.9195 79.582  3.3697 -3.073380      3.878075 
1 1 1 8  2  42 o 19.174  4.5680 2.9797   1.6081  22.025  5.7404 16.324  7.1072 5.700533       9.135926 
1 1 1 8  2  44 o 17.253  4.6744 1.5029   1.5717  12.380  5.4199 22.127  7.6174 -9.747092      9.348816 
1 1 1 8  2  46 o 27.557  4.4994 8.2580   1.7027  29.014  5.4816 26.099  7.1366 2.914734       8.998837 
1 1 1 8  2  48 o 18.724  5.0424 2.9566   1.8181  18.473  6.5732 18.976  7.6482 -0.5036354     10.08474 
1 1 1 8  2  50 o 14.533  4.5572 -0.7619  1.8815  14.841  6.3319 14.226  6.5560 0.6152496      9.114450 
1 1 1 8  2  52 o 12.833  4.2761 -2.6349  1.8112  10.484  5.0103 15.182  6.9309 -4.698647      8.552243 
1 1 1 8  2  54 o 13.182  4.3864 -2.4766  2.0761  12.742  5.9416 13.623  6.4543 -0.8806887     8.772712 
1 1 1 8  3  1  o 410.433 2.5630 1683.61  14.860  415.634 3.7023 405.231 3.5452 10.40329       5.125963 
1 1 1 8  3  3  o 775.871 6.8729 6026.47  75.384  773.592 9.5744 778.151 9.8629 -4.558716      13.74574 
1 1 1 8  3  5  o 652.514 4.3582 4249.85  39.575  644.977 5.5240 660.050 6.7425 -15.07373      8.716401 
1 1 1 8  3  7  o 407.152 2.9096 1661.15  16.646  412.852 3.8200 401.453 4.3897 11.39948       5.819140 
1 1 1 8  3  9  o 369.285 2.7423 1365.29  14.289  373.318 3.7115 365.253 4.0382 8.065308       5.484672 
1 1 1 8  3  11 o 403.346 2.8251 1626.68  15.930  402.243 3.6351 404.448 4.3257 -2.205841      5.650212 
1 1 1 8  3  13 o 466.499 2.9625 2176.43  19.521  467.584 4.3014 465.414 4.0746 2.169952       5.924906 
1 1 1 8  3  15 f 340.718 2.2858 1160.58  11.007  343.762 3.2876 337.674 3.1767 6.088348       4.571619 
1 1 1 8  3  17 o 266.906 1.9622 712.399  7.4061  269.262 2.7744 264.550 2.7756 4.712311       3.924459 
1 1 1 8  3  19 o 520.787 3.2207 2713.06  23.719  520.964 4.5838 520.610 4.5256 0.3533325      6.441479 
1 1 1 8  3  21 o 198.282 1.5708 392.647  4.3974  202.548 2.2697 194.016 2.1720 8.531631       3.141551 
1 1 1 8  3  23 o 413.120 2.6120 1705.77  15.234  407.232 3.5905 419.009 3.7944 -11.77692      5.223902 
1 1 1 8  3  25 o 342.315 2.4545 1170.02  11.818  336.630 3.2814 348.001 3.6512 -11.37146      4.909056 
1 1 1 8  3  27 f 33.167  2.7200 11.061   1.2377  39.132  3.4265 27.201  4.2253 11.93163       5.439999 
1 1 1 8  3  29 f 271.072 2.1605 733.735  8.1100  268.578 2.6864 273.567 3.3843 -4.989777      4.320910 
1 1 1 8  3  31 o 128.330 1.8253 164.637  2.9422  128.129 1.7940 128.531 3.1793 -0.4024506     3.650554 
1 1 1 8  3  33 o 223.201 1.8870 495.804  5.7403  219.229 2.2426 227.173 3.0355 -7.943390      3.774079 
1 1 1 8  3  35 o 58.724  2.0399 34.322   1.5717  57.928  2.2045 59.520  3.4328 -1.592201      4.079714 
1 1 1 8  3  37 o 84.102  1.4527 70.893   1.7216  85.433  1.9432 82.770  2.1600 2.662613       2.905403 
1 1 1 8  3  39 o 58.799  2.1445 34.744   1.7089  59.205  2.4805 58.393  3.4991 0.8119164      4.289057 
1 1 1 8  3  41 o 65.531  1.9662 42.970   1.8057  64.429  2.5766 66.632  2.9706 -2.202675      3.932369 
1 1 1 8  3  43 o 19.997  4.3504 3.9502   1.4303  23.058  5.8128 16.935  6.4743 6.122969       8.700874 
1 1 1 8  3  45 o 47.396  2.6201 22.387   1.7089  44.859  3.2737 49.934  4.0919 -5.074890      5.240299 
1 1 1 8  3  47 o 46.340  3.7190 22.220   2.1377  46.767  3.5498 45.913  6.5362 0.8535271      7.437938 
1 1 1 8  3  49 o 17.710  4.7272 2.1797   1.7438  19.734  6.3102 15.685  7.0405 4.048941       9.454496 
1 1 1 8  3  51 o 64.160  2.4715 42.070   2.1691  61.610  3.0055 66.710  3.9243 -5.100121      4.942935 
1 1 1 8  3  53 o 36.756  4.5310 15.496   2.0358  37.414  4.2664 36.099  7.9947 1.315784       9.061912 
1 1 1 8  3  55 o 14.864  4.7150 -0.2394  1.9714  11.192  5.3438 18.537  7.7697 -7.344296      9.429972 
1 1 1 8  4  0  o 75.762  2.5346 57.593   3.8310  75.762  2.5346 ?       ?      0.000000       0.000000 
1 1 1 8  4  2  o 936.196 8.5415 8781.51  113.037 939.096 12.272 933.297 11.883 5.799011       17.08305 
1 1 1 8  4  4  o 474.138 3.1702 2250.43  21.209  478.889 4.2932 469.386 4.6658 9.503448       6.340485 
1 1 1 8  4  6  o 516.716 3.2375 2671.09  23.657  514.164 4.6072 519.268 4.5496 -5.103882      6.474967 
1 1 1 8  4  8  o 457.887 2.9777 2097.11  19.279  462.068 4.2284 453.706 4.1938 8.361877       5.955460 
1 1 1 8  4  10 o 209.040 3.0919 428.771  7.1256  204.051 2.4720 214.029 5.6682 -9.977448      6.183798 
1 1 1 8  4  12 o 613.074 3.7080 3760.04  32.148  617.072 5.2357 609.076 5.2521 7.996033       7.416012 
1 1 1 8  4  14 o 419.967 2.6932 1763.30  15.980  423.241 3.8922 416.693 3.7235 6.548553       5.386455 
1 1 1 8  4  16 o 708.211 4.1567 5017.72  41.629  709.321 5.8331 707.100 5.9236 2.221313       8.313467 
1 1 1 8  4  18 o 224.515 2.0567 502.053  6.3297  221.348 2.4808 227.682 3.2811 -6.334152      4.113391 
1 1 1 8  4  20 o 468.252 2.9746 2193.20  19.695  466.495 4.1746 470.009 4.2385 -3.514374      5.949144 
1 1 1 8  4  22 o 783.576 4.6756 6146.48  51.793  790.615 6.6870 776.537 6.5369 14.07831       9.351261 
1 1 1 8  4  24 o 308.969 2.1115 954.934  9.2263  309.589 2.9905 308.349 2.9818 1.239197       4.223097 
1 1 1 8  4  26 o 338.457 2.3133 1145.68  10.888  337.789 2.9110 339.125 3.5961 -1.336823      4.626670 
1 1 1 8  4  28 o 115.304 1.5997 132.940  2.5383  115.116 1.9413 115.492 2.5431 -0.3760071     3.199419 
1 1 1 8  4  30 o 246.460 2.1219 608.078  7.3348  246.736 2.7690 246.185 3.2161 0.5512390      4.243839 
1 1 1 8  4  32 o 360.173 2.6246 1301.30  12.958  362.304 3.1370 358.043 4.2086 4.260437       5.249112 
1 1 1 8  4  34 o 94.723  1.3598 89.740   1.8147  94.389  1.8264 95.058  2.0151 -0.6688232     2.719658 
1 1 1 8  4  36 o 151.343 1.5743 229.213  3.3154  151.128 1.9857 151.559 2.4435 -0.4313354     3.148610 
1 1 1 8  4  38 o 122.292 1.5032 149.956  2.5666  123.374 1.9149 121.210 2.3178 2.163689       3.006494 
1 1 1 8  4  40 o 96.530  1.5543 93.318   2.0761  96.419  1.9204 96.642  2.4446 -0.2230301     3.108684 
1 1 1 8  4  42 o 27.217  4.6708 7.7533   1.7673  24.583  6.4229 29.850  6.7833 -5.266876      9.341699 
1 1 1 8  4  44 o 44.309  2.6242 19.974   1.6276  47.344  3.3716 41.274  4.0222 6.069740       5.248427 
1 1 1 8  4  46 o 74.704  1.9797 56.601   2.0707  77.938  2.5397 71.470  3.0375 6.468140       3.959353 
1 1 1 8  4  48 o 23.132  4.8029 5.9472   1.7057  25.516  5.6550 20.748  7.7649 4.767906       9.605840 
1 1 1 8  4  50 o 26.138  4.6566 7.8054   1.7251  29.123  4.8234 23.152  7.9668 5.970709       9.313181 
1 1 1 8  4  52 o 16.636  5.0856 1.0948   2.0789  14.889  6.4055 18.384  7.9007 -3.494713      10.17115 
1 1 1 8  4  54 o 14.156  4.5900 -1.1266  1.9103  13.506  5.7237 14.805  7.1770 -1.299561      9.179930 
1 1 1 8  5  1  o 1106.05 9.3111 12266.08 145.629 1117.00 13.165 1095.10 13.171 21.89526       18.62217 
1 1 1 8  5  3  o 594.750 4.7373 3543.71  39.058  597.533 5.8771 591.968 7.4316 5.565063       9.474699 
1 1 1 8  5  5  o 509.487 3.3084 2600.24  23.260  512.132 4.0395 506.842 5.2406 5.290619       6.616788 
1 1 1 8  5  7  o 594.667 3.6489 3538.82  30.675  592.428 5.2488 596.905 5.0703 -4.476379      7.297802 
1 1 1 8  5  9  o 475.116 3.0554 2258.55  20.527  477.234 4.2814 472.999 4.3602 4.235352       6.110768 
1 1 1 8  5  11 o 680.684 4.0989 4634.52  39.447  688.576 5.8326 672.792 5.7607 15.78333       8.197830 
1 1 1 8  5  13 o 350.153 4.5009 1232.71  21.440  355.666 5.2421 344.641 7.3180 11.02542       9.001842 
1 1 1 8  5  15 o 758.514 4.5594 5755.78  48.905  754.683 6.4216 762.345 6.4743 -7.662048      9.118820 
1 1 1 8  5  17 o 549.747 3.3176 3020.56  25.765  541.349 4.5999 558.145 4.7818 -16.79565      6.635143 
1 1 1 8  5  19 o 314.393 2.1397 988.597  9.5137  314.729 3.0228 314.058 3.0293 0.6702271      4.279494 
1 1 1 8  5  21 o 280.273 1.9894 784.825  7.8699  276.084 2.7290 284.463 2.8955 -8.378418      3.978891 
1 1 1 8  5  23 o 244.680 1.8445 597.615  6.3691  237.794 2.5509 251.566 2.6650 -13.77263      3.689069 
1 1 1 8  5  25 o 289.851 2.0176 840.487  8.2656  289.639 2.9099 290.062 2.7956 -0.4229431     4.035225 
1 1 1 8  5  27 o 101.503 1.3618 103.096  1.9344  101.757 1.7569 101.250 2.0811 0.5072250      2.723540 
1 1 1 8  5  29 o 336.970 2.5019 1133.36  11.522  333.721 2.9847 340.219 4.0162 -6.498077      5.003878 
1 1 1 8  5  31 o 243.807 2.3205 596.754  7.4082  245.408 2.4717 242.206 3.9279 3.201569       4.640922 
1 1 1 8  5  33 o 151.322 1.4972 229.516  3.1810  153.290 1.9577 149.355 2.2658 3.934860       2.994403 
1 1 1 8  5  35 f 99.530  1.5362 98.898   2.0813  98.743  1.8106 100.317 2.4823 -1.574402      3.072456 
1 1 1 8  5  37 o 75.917  1.7338 57.862   1.8429  77.269  2.2311 74.565  2.6546 2.703888       3.467654 
1 1 1 8  5  39 o 66.561  2.0391 44.287   1.8964  65.428  2.6349 67.693  3.1127 -2.265457      4.078153 
1 1 1 8  5  41 o 25.779  4.1983 7.0154   1.4998  25.071  5.9410 26.487  5.9337 -1.416540      8.396648 
1 1 1 8  5  43 o 42.457  3.0078 18.586   1.7414  45.879  3.4793 39.034  4.9073 6.844952       6.015535 
1 1 1 8  5  45 o 57.845  2.0361 33.723   1.6503  57.989  2.6426 57.701  3.0984 0.2875862      4.072291 
1 1 1 8  5  47 o 45.640  3.1241 21.701   1.8841  47.726  3.3446 43.553  5.2777 4.172749       6.248274 
1 1 1 8  5  49 o 20.556  5.5207 2.7119   1.9989  12.992  5.7427 28.119  9.4305 -15.12687      11.04145 
1 1 1 8  5  51 o 14.348  4.4945 -0.3853  1.8057  14.405  6.2424 14.291  6.4678 0.1133108      8.988913 
1 1 1 8  5  53 o 20.021  5.1818 4.5504   1.8815  18.647  6.8209 21.395  7.8026 -2.748217      10.36366 
1 1 1 8  5  55 o 15.771  5.0100 0.9365   2.1283  14.638  6.2260 16.904  7.8510 -2.265486      10.02005 
1 1 1 8  6  0  o 264.765 2.9912 701.333  15.835  264.765 2.9912 ?       ?      0.000000       0.000000 
1 1 1 8  6  2  o 229.598 1.9783 525.785  6.3711  233.767 2.9772 225.429 2.6058 8.337189       3.956503 
1 1 1 8  6  4  o 557.276 3.5820 3113.71  27.557  561.980 4.3743 552.572 5.6736 9.407471       7.164044 
1 1 1 8  6  6  o 661.890 5.1651 4333.56  41.888  649.117 4.8986 674.663 9.0950 -25.54565      10.33026 
1 1 1 8  6  8  o 256.348 1.9157 659.826  6.7557  260.115 2.3074 252.581 3.0588 7.533630       3.831490 
1 1 1 8  6  10 f 640.730 3.9789 4108.72  35.565  641.768 5.0641 639.692 6.1386 2.075562       7.957859 
1 1 1 8  6  12 o 717.477 4.6225 5142.84  46.373  711.575 5.9671 723.380 7.0613 -11.80542      9.244954 
1 1 1 8  6  14 o 527.393 3.3345 2780.04  24.835  533.762 4.8328 521.023 4.5956 12.73859       6.668958 
1 1 1 8  6  16 o 992.165 5.6879 9845.32  79.731  1004.47 8.2000 979.860 7.8847 24.61108       11.37582 
1 1 1 8  6  18 o 570.678 3.4735 3256.59  28.002  575.151 5.0290 566.204 4.7927 8.947571       6.946985 
1 1 1 8  6  20 o 528.471 3.2822 2794.74  24.505  526.375 4.7672 530.567 4.5129 -4.192505      6.564462 
1 1 1 8  6  22 o 703.167 4.2033 4950.93  41.785  699.793 6.0402 706.541 5.8470 -6.747681      8.406620 
1 1 1 8  6  24 o 197.721 1.5528 391.020  4.3418  198.205 2.1906 197.237 2.2013 0.9687958      3.105553 
1 1 1 8  6  26 o 58.566  2.0773 33.954   1.7027  62.596  3.0601 54.535  2.8100 8.061222       4.154529 
1 1 1 8  6  28 o 94.808  1.4620 90.343   1.9427  98.177  1.8861 91.439  2.2345 6.737885       2.924080 
1 1 1 8  6  30 o 113.084 1.5578 127.825  2.4836  111.957 2.1101 114.210 2.2922 -2.252716      3.115553 
1 1 1 8  6  32 o 142.714 1.5581 202.716  3.0648  139.885 1.9171 145.543 2.4567 -5.658234      3.116216 
1 1 1 8  6  34 o 46.863  2.3168 22.028   1.5324  48.566  3.1553 45.160  3.3933 3.406219       4.633606 
1 1 1 8  6  36 o 87.707  1.6761 77.127   2.0746  89.929  2.2720 85.485  2.4648 4.444061       3.352248 
1 1 1 8  6  38 o 73.027  1.8301 53.223   1.8571  71.775  2.3129 74.279  2.8367 -2.504311      3.660117 
1 1 1 8  6  40 o 72.526  1.6200 52.740   1.6601  74.287  2.2347 70.765  2.3459 3.521515       3.239977 
1 1 1 8  6  42 o 95.289  2.0272 88.269   2.3263  90.751  1.8997 99.826  3.5818 -9.075554      4.054421 
1 1 1 8  6  44 o 100.324 1.7891 100.651  2.2754  99.555  1.7958 101.092 3.0949 -1.536545      3.578155 
1 1 1 8  6  46 o 41.725  3.3943 18.463   1.7921  44.777  3.2797 38.673  5.9437 6.104149       6.788541 
1 1 1 8  6  48 o 62.468  2.7653 40.971   2.1213  65.083  2.5508 59.853  4.9072 5.229713       5.530544 
1 1 1 8  6  50 o 27.082  4.9220 8.6797   1.8978  31.056  4.7288 23.108  8.6337 7.948009       9.843913 
1 1 1 8  6  52 o 18.042  4.7902 3.2736   1.6380  16.316  6.3130 19.768  7.2064 -3.451710      9.580485 
1 1 1 8  6  54 o 14.069  4.5343 -0.5047  1.8973  13.269  5.8653 14.868  6.9166 -1.599768      9.068669 
1 1 1 8  7  1  o 351.464 2.5761 1235.00  12.688  352.582 3.9116 350.345 3.3534 2.236664       5.152294 
1 1 1 8  7  3  o 218.098 1.6979 474.474  5.2077  222.692 2.5231 213.504 2.2729 9.188492       3.395898 
1 1 1 8  7  5  o 427.413 2.8313 1827.53  17.111  421.379 4.0306 433.447 3.9773 -12.06799      5.662614 
1 1 1 8  7  7  o 387.857 2.6328 1505.58  14.135  388.695 3.2525 387.019 4.1410 1.675751       5.265626 
1 1 1 8  7  9  o 258.369 2.0093 665.482  7.0106  256.014 2.3194 260.723 3.2816 -4.708557      4.018569 
1 1 1 8  7  11 o 387.148 2.7540 1498.44  15.036  385.214 3.7294 389.083 4.0534 -3.869293      5.508066 
1 1 1 8  7  13 o 623.390 4.0761 3893.47  35.704  630.845 5.3542 615.936 6.1473 14.90900       8.152112 
1 1 1 8  7  15 o 312.803 2.1962 978.340  9.5847  312.419 2.7999 313.188 3.3843 -0.7688904     4.392383 
1 1 1 8  7  17 o 619.934 3.8386 3851.23  33.177  625.264 4.8608 614.605 5.9424 10.65930       7.677228 
1 1 1 8  7  19 o 102.039 1.5532 104.260  2.2275  103.072 2.0443 101.006 2.3389 2.066132       3.106397 
1 1 1 8  7  21 o 285.797 2.0942 817.223  8.2641  286.075 2.5667 285.519 3.3097 0.5562439      4.188367 
1 1 1 8  7  23 o 216.980 1.8232 472.850  5.4254  220.150 2.1752 213.809 2.9266 6.341553       3.646460 
1 1 1 8  7  25 o 193.755 1.5972 376.502  4.2958  196.101 1.9862 191.410 2.5018 4.690125       3.194378 
1 1 1 8  7  27 o 47.026  2.9115 21.652   1.4024  45.895  2.0868 48.157  5.4361 -2.261368      5.822928 
1 1 1 8  7  29 o 305.406 2.6809 930.552  10.171  303.542 2.5873 307.271 4.6963 -3.729034      5.361812 
1 1 1 8  7  31 o 209.299 2.5180 442.577  6.0687  211.965 2.1086 206.633 4.5733 5.332626       5.035970 
1 1 1 8  7  33 o 76.620  1.9864 60.083   1.9155  79.806  1.9202 73.434  3.4780 6.371490       3.972813 
1 1 1 8  7  35 o 101.261 1.6935 104.059  2.2042  104.092 1.7175 98.429  2.9191 5.663261       3.386912 
1 1 1 8  7  37 o 123.786 1.7057 153.654  2.7505  124.208 1.7992 123.363 2.8985 0.8451538      3.411479 
1 1 1 8  7  39 o 180.111 1.9418 323.486  4.3230  178.564 1.8594 181.657 3.4095 -3.092361      3.883518 
1 1 1 8  7  41 o 32.576  3.7262 10.963   1.6503  33.738  4.5420 31.413  5.9083 2.324993       7.452397 
1 1 1 8  7  43 o 26.974  5.2877 7.5324   1.8869  26.461  5.4922 27.487  9.0374 -1.025858      10.57544 
1 1 1 8  7  45 o 27.726  4.6296 8.5992   1.7618  32.252  4.3554 23.199  8.1709 9.053587       9.259238 
1 1 1 8  7  47 o 49.252  2.8051 24.657   1.9050  47.749  3.4768 50.755  4.4031 -3.006088      5.610250 
1 1 1 8  7  49 o 18.366  4.9902 2.7843   1.7585  18.384  6.1737 18.348  7.8418 0.3567696E-01  9.980440 
1 1 1 8  7  51 o 31.156  4.9674 11.677   2.0507  34.717  4.7818 27.594  8.7082 7.122967       9.934712 
1 1 1 8  7  53 o 19.102  5.3555 3.8615   1.9670  16.687  6.4504 21.518  8.5510 -4.830889      10.71106 
1 1 1 8  8  0  o 103.043 1.4879 106.247  3.0648  103.043 1.4879 ?       ?      0.000000       0.000000 
1 1 1 8  8  2  o 210.024 1.6446 440.914  4.8793  212.151 2.3776 207.897 2.2727 4.254318       3.289142 
1 1 1 8  8  4  o 90.859  0.9694 82.567   1.2443  90.684  1.4082 91.035  1.3326 -0.3515930     1.938793 
1 1 1 8  8  6  o 197.617 1.5666 390.701  4.3679  196.728 2.3044 198.507 2.1229 -1.778473      3.133206 
1 1 1 8  8  8  o 117.135 1.3300 137.223  2.2024  117.381 1.8495 116.890 1.9119 0.4907608      2.660018 
1 1 1 8  8  10 o 567.091 3.6754 3221.97  28.677  570.424 4.4438 563.757 5.8555 6.666565       7.350794 
1 1 1 8  8  12 o 464.191 3.0538 2160.94  19.488  468.777 3.6776 459.605 4.8763 9.172363       6.107568 
1 1 1 8  8  14 o 179.846 1.6200 323.626  4.0226  180.202 1.9842 179.489 2.5613 0.7127991      3.239960 
1 1 1 8  8  16 o 426.206 2.7689 1816.74  16.325  426.038 3.4170 426.375 4.3578 -0.3364563     5.537732 
1 1 1 8  8  18 o 647.640 4.0152 4201.16  35.895  650.186 4.9102 645.095 6.3544 5.090637       8.030460 
1 1 1 8  8  20 o 255.760 1.8680 654.362  6.6015  255.905 2.2955 255.617 2.9475 0.2880707      3.735923 
1 1 1 8  8  22 o 252.484 1.8930 635.462  6.5486  249.535 2.2773 255.433 3.0246 -5.897522      3.786101 
1 1 1 8  8  24 o 269.330 2.0121 726.597  7.5819  271.378 2.5881 267.283 3.0816 4.094971       4.024284 
1 1 1 8  8  26 o 128.120 1.5274 163.367  2.5781  126.634 1.6639 129.607 2.5618 -2.972580      3.054705 
1 1 1 8  8  28 o 79.285  1.5258 63.036   1.6625  79.974  1.8363 78.596  2.4372 1.377815       3.051514 
1 1 1 8  8  30 o 170.997 1.8226 289.757  3.9340  168.003 1.8243 173.991 3.1560 -5.987610      3.645298 
1 1 1 8  8  32 o 206.798 2.0053 428.891  5.3355  207.606 2.0606 205.990 3.4407 1.615799       4.010518 
1 1 1 8  8  34 o 100.826 1.7288 101.778  2.1537  100.858 1.6460 100.795 3.0407 0.6391144E-01  3.457587 
1 1 1 8  8  36 o 79.851  1.7904 64.826   1.8590  82.550  1.8563 77.152  3.0621 5.398026       3.580838 
1 1 1 8  8  38 o 112.427 1.6311 126.627  2.4758  112.488 1.8731 112.366 2.6707 0.1223984      3.262115 
1 1 1 8  8  40 o 87.960  1.6641 77.010   1.8648  86.818  1.6915 89.102  2.8664 -2.284035      3.328278 
1 1 1 8  8  42 o 93.187  1.8432 87.101   2.3225  93.073  2.1267 93.301  3.0111 -0.2280197     3.686414 
1 1 1 8  8  44 o 22.744  5.3284 5.1141   1.8973  21.293  6.5559 24.194  8.4016 -2.900423      10.65676 
1 1 1 8  8  46 f 38.287  3.5282 15.320   1.7966  39.900  3.8406 36.673  5.9196 3.226673       7.056325 
1 1 1 8  8  48 o 41.472  3.4761 17.992   1.9500  41.288  4.0208 41.655  5.6715 -0.3665619     6.952168 
1 1 1 8  8  50 o 14.824  4.5057 0.1233   1.7108  15.200  5.9961 14.448  6.7271 0.7525311      9.011470 
1 1 1 8  8  52 o 15.443  4.6407 0.6407   1.8571  16.879  6.6675 14.007  6.4566 2.871596       9.281377 
1 1 1 8  8  54 o 19.634  5.3835 4.8584   2.1347  19.754  7.4980 19.514  7.7273 0.2402935      10.76709 
1 1 1 8  9  1  o 104.323 1.1468 108.801  1.6914  102.701 1.6165 105.945 1.6272 -3.243622      2.293642 
1 1 1 8  9  3  o 205.079 1.6849 420.337  4.8743  203.430 2.2913 206.728 2.4709 -3.298203      3.369745 
1 1 1 8  9  5  o 390.625 2.6365 1525.42  14.530  393.122 3.8656 388.128 3.5863 4.994263       5.272959 
1 1 1 8  9  7  o 509.965 3.5775 2603.33  25.439  508.071 5.5296 511.859 4.5406 -3.787140      7.154962 
1 1 1 8  9  9  o 352.215 2.4099 1240.69  12.004  353.629 3.4125 350.802 3.4036 2.827484       4.819774 
1 1 1 8  9  11 o 570.273 3.7203 3261.84  29.515  577.780 4.6635 562.765 5.7977 15.01465       7.440567 
1 1 1 8  9  13 o 507.198 3.3026 2574.26  23.324  508.281 4.1706 506.115 5.1220 2.166107       6.605219 
1 1 1 8  9  15 o 300.675 2.6763 909.113  11.078  306.926 3.2245 294.424 4.2722 12.50122       5.352521 
1 1 1 8  9  17 o 262.902 1.9399 687.353  7.0468  257.006 2.4099 268.799 3.0405 -11.79272      3.879709 
1 1 1 8  9  19 o 492.283 3.2197 2426.20  21.756  493.258 3.8704 491.309 5.1464 1.949707       6.439404 
1 1 1 8  9  21 o 333.743 2.6022 1121.00  11.588  338.889 2.8827 328.596 4.3332 10.29257       5.204448 
1 1 1 8  9  23 o 356.988 2.4341 1276.42  12.034  358.541 3.0096 355.436 3.8263 3.104706       4.868121 
1 1 1 8  9  25 o 123.125 1.3228 151.405  2.2827  121.960 1.7277 124.289 2.0035 -2.329063      2.645548 
1 1 1 8  9  27 o 101.886 1.4852 103.585  2.1271  103.857 2.2133 99.914  1.9811 3.942459       2.970367 
1 1 1 8  9  29 o 361.270 2.9058 1311.28  13.970  364.082 3.2093 358.459 4.8450 5.622772       5.811534 
1 1 1 8  9  31 o 245.025 2.3896 596.320  7.1492  241.896 2.2436 248.153 4.2198 -6.256561      4.779161 
1 1 1 8  9  33 o 13.266  4.0678 -0.9764  1.4659  14.034  5.6438 12.499  5.8596 1.535280       8.135606 
1 1 1 8  9  35 o 134.233 1.5608 180.044  2.7785  133.667 1.7197 134.800 2.6052 -1.132843      3.121572 
1 1 1 8  9  37 o 60.252  2.0271 36.612   1.6432  61.333  2.2903 59.170  3.3452 2.163597       4.054131 
1 1 1 8  9  39 o 42.525  2.8179 18.234   1.5987  42.799  3.1329 42.251  4.6848 0.5488510      5.635822 
1 1 1 8  9  41 o 13.286  4.1757 -1.1311  1.5324  11.453  5.2259 15.120  6.5142 -3.667130      8.351323 
1 1 1 8  9  43 f 31.807  4.3868 10.557   1.8623  31.867  5.0092 31.747  7.2031 0.1201935      8.773639 
1 1 1 8  9  45 o 21.944  4.9592 4.9621   1.7057  22.317  6.1154 21.571  7.8089 0.7464676      9.918494 
1 1 1 8  9  47 o 14.714  4.6772 -1.1788  1.9646  14.134  6.1231 15.293  7.0720 -1.159514      9.354386 
1 1 1 8  9  49 o 38.519  4.1178 14.988   1.9721  34.450  4.2629 42.589  7.0464 -8.138374      8.235538 
1 1 1 8  9  51 o 22.060  5.4910 5.4791   2.1140  23.216  6.5764 20.904  8.7952 2.311697       10.98205 
1 1 1 8  9  53 o 14.915  4.7181 0.2514   1.9714  14.124  6.1818 15.705  7.1294 -1.580291      9.436219 
1 1 1 8  10 0  o 565.275 5.0952 3196.74  57.593  565.275 5.0952 ?       ?      0.000000       0.000000 
1 1 1 8  10 2  f 236.039 1.7789 557.130  5.9374  239.122 2.5100 232.955 2.5216 6.167160       3.557895 
1 1 1 8  10 4  o 990.365 5.9138 9807.00  82.631  1002.65 8.6480 978.083 8.0688 24.56470       11.82763 
1 1 1 8  10 6  o 910.731 5.4756 8300.27  70.522  909.047 7.7825 912.416 7.7047 -3.369263      10.95126 
1 1 1 8  10 8  o 700.146 4.3435 4903.42  42.983  702.820 6.2504 697.471 6.0329 5.349304       8.686940 
1 1 1 8  10 10 o 413.884 2.7487 1711.54  16.065  420.592 3.9774 407.176 3.7949 13.41595       5.497374 
1 1 1 8  10 12 o 572.484 3.5998 3276.46  29.129  561.787 5.0577 583.181 5.1240 -21.39410      7.199670 
1 1 1 8  10 14 o 578.827 3.9822 3358.40  32.439  589.412 5.2756 568.242 5.9666 21.17004       7.964437 
1 1 1 8  10 16 o 708.232 4.4448 5025.71  43.524  711.722 5.4635 704.741 7.0125 6.980591       8.889628 
1 1 1 8  10 18 o 260.703 2.0485 681.104  7.4306  263.109 2.5724 258.297 3.1889 4.812439       4.097063 
1 1 1 8  10 20 o 564.713 3.5117 3190.37  27.498  563.705 4.3722 565.720 5.4966 -2.014832      7.023410 
1 1 1 8  10 22 o 214.823 1.7425 460.118  5.1823  211.932 2.1692 217.713 2.7275 -5.780624      3.484908 
1 1 1 8  10 24 o 150.111 1.4785 225.361  3.1078  149.986 1.9157 150.235 2.2525 -0.2488251     2.956972 
1 1 1 8  10 26 o 182.255 1.9274 333.842  4.6636  184.272 2.1137 180.237 3.2237 4.034927       3.854878 
1 1 1 8  10 28 o 191.600 1.6917 366.181  4.5008  188.948 2.1289 194.253 2.6296 -5.305206      3.383354 
1 1 1 8  10 30 o 123.355 1.7731 152.836  2.8366  124.332 1.8488 122.377 3.0262 1.954834       3.546208 
1 1 1 8  10 32 o 244.786 2.2726 601.759  6.9971  246.094 2.2313 243.479 3.9599 2.615387       4.545247 
1 1 1 8  10 34 o 287.021 2.5922 818.855  9.1332  283.075 2.4586 290.967 4.5644 -7.891418      5.184447 
1 1 1 8  10 36 o 156.370 1.8721 244.609  3.6778  156.071 1.8410 156.669 3.2604 -0.5976257     3.744263 
1 1 1 8  10 38 o 44.303  2.6298 19.651   1.5775  43.837  3.0587 44.768  4.2787 -0.9312248     5.259618 
1 1 1 8  10 40 o 48.403  2.4533 23.551   1.6208  48.378  2.9036 48.429  3.9553 -0.5004883E-01 4.906682 
1 1 1 8  10 42 f 35.228  3.4551 13.189   1.5733  38.965  3.6050 31.491  5.8954 7.474134       6.910292 
1 1 1 8  10 44 o 50.969  2.4940 26.902   1.6648  53.895  2.6064 48.043  4.2529 5.852333       4.988010 
1 1 1 8  10 46 o 15.139  4.4689 0.3756   1.5975  12.065  5.4549 18.212  7.0801 -6.147923      8.937797 
1 1 1 8  10 48 o 24.314  5.0324 6.4760   1.8181  19.532  6.6000 29.097  7.5986 -9.564878      10.06470 
1 1 1 8  10 50 f 32.226  4.8255 11.975   2.0318  33.247  4.9932 31.205  8.2590 2.042587       9.651058 
1 1 1 8  10 52 o 22.369  4.7389 5.0626   1.7921  13.488  5.8587 31.250  7.4502 -17.76192      9.477818 
1 1 1 8  11 1  o 561.358 3.6230 3150.50  28.742  554.379 5.0447 568.337 5.2016 -13.95813      7.246068 
1 1 1 8  11 3  o 274.361 2.1172 751.136  8.1500  278.490 3.1869 270.233 2.7881 8.257050       4.234372 
1 1 1 8  11 5  o 426.157 2.9240 1816.08  17.617  429.182 4.1805 423.132 4.0894 6.050018       5.848045 
1 1 1 8  11 7  o 943.947 6.0240 8927.58  79.940  935.343 9.0587 952.551 7.9432 -17.20782      12.04796 
1 1 1 8  11 9  o 349.789 2.5684 1223.29  12.701  354.022 3.6612 345.555 3.6031 8.467712       5.136868 
1 1 1 8  11 11 o 692.107 4.6662 4791.72  45.214  692.971 7.1132 691.243 6.0410 1.727783       9.332303 
1 1 1 8  11 13 o 382.224 2.6066 1461.89  14.070  379.374 3.8037 385.074 3.5650 -5.700470      5.213174 
1 1 1 8  11 15 o 574.056 3.7514 3271.62  29.337  560.146 4.4684 587.966 6.0271 -27.81970      7.502775 
1 1 1 8  11 17 o 255.098 2.2479 650.298  8.1010  263.556 3.1737 246.641 3.1842 16.91541       4.495720 
1 1 1 8  11 19 o 308.545 2.1827 954.723  9.2533  311.414 2.6244 305.676 3.4883 5.737885       4.365344 
1 1 1 8  11 21 o 318.182 2.5052 1015.23  11.225  325.894 3.3307 310.470 3.7430 15.42395       5.010336 
1 1 1 8  11 23 o 184.502 1.5480 340.834  3.9972  185.596 1.9954 183.407 2.3673 2.188293       3.096076 
1 1 1 8  11 25 o 239.678 2.6687 576.361  7.6896  240.569 2.4153 238.788 4.7596 1.780273       5.337358 
1 1 1 8  11 27 o 291.700 2.4042 848.396  9.7778  285.675 3.0844 297.725 3.6887 -12.05045      4.808356 
1 1 1 8  11 29 o 123.518 1.4991 152.666  2.6179  125.146 2.0919 121.889 2.1477 3.256676       2.998109 
1 1 1 8  11 31 o 109.083 1.5002 119.584  2.1907  110.354 1.6779 107.812 2.4874 2.540962       3.000431 
1 1 1 8  11 33 o 65.914  1.8839 43.314   1.7414  63.985  2.4948 67.842  2.8235 -3.857609      3.767733 
1 1 1 8  11 35 o 177.450 1.8757 314.680  4.2597  176.776 1.9143 178.124 3.2262 -1.347366      3.751360 
1 1 1 8  11 37 o 52.969  2.8388 28.477   1.9155  54.002  2.8377 51.937  4.9176 2.065380       5.677596 
1 1 1 8  11 39 o 42.116  2.5941 18.220   1.4835  45.250  2.9632 38.981  4.2587 6.268921       5.188183 
1 1 1 8  11 41 o 42.706  2.8365 19.080   1.5975  47.017  2.9877 38.396  4.8226 8.620853       5.673048 
1 1 1 8  11 43 o 17.106  4.6547 1.7978   1.5975  13.878  5.8689 20.334  7.2266 -6.455733      9.309495 
1 1 1 8  11 45 o 35.547  3.7795 12.525   1.8112  30.915  4.7503 40.178  5.8799 -9.263550      7.559070 
1 1 1 8  11 47 o 17.961  4.8702 2.5169   1.7089  14.800  6.1139 21.123  7.5827 -6.322484      9.740455 
1 1 1 8  11 49 o 18.827  5.2663 3.0958   1.9832  17.962  6.6710 19.693  8.1506 -1.730322      10.53255 
1 1 1 8  11 51 o 18.805  5.2852 2.8323   2.0318  14.176  6.1932 23.435  8.5661 -9.259144      10.57041 
1 1 1 8  11 53 o 17.247  5.0678 2.8094   1.9921  16.940  6.6751 17.555  7.6271 -0.6154556     10.13556 
1 1 1 8  12 0  o 309.843 3.4011 960.438  21.071  309.843 3.4011 ?       ?      0.000000       0.000000 
1 1 1 8  12 2  o 203.494 1.8531 414.173  5.3298  202.960 2.6741 204.028 2.5662 -1.067383      3.706200 
1 1 1 8  12 4  o 255.655 2.0835 653.059  7.5257  250.848 2.9017 260.462 2.9907 -9.613754      4.167084 
1 1 1 8  12 6  o 362.738 2.5454 1315.99  13.057  360.899 3.6092 364.578 3.5903 -3.678589      5.090798 
1 1 1 8  12 8  o 333.170 2.3169 1108.52  10.895  339.894 3.3626 326.445 3.1882 13.44955       4.633725 
1 1 1 8  12 10 o 445.870 3.0277 1988.50  19.091  446.035 4.2659 445.705 4.2977 0.3300781      6.055432 
1 1 1 8  12 12 o 331.188 2.4066 1096.93  11.262  332.054 3.4804 330.322 3.3247 1.731781       4.813233 
1 1 1 8  12 14 o 206.940 1.7641 427.810  5.0827  208.079 2.7310 205.801 2.2338 2.277649       3.528244 
1 1 1 8  12 16 o 571.482 3.5551 3268.23  28.730  569.391 5.0014 573.573 5.0539 -4.182068      7.110272 
1 1 1 8  12 18 o 324.639 2.3149 1054.47  10.449  324.907 2.9085 324.371 3.6022 0.5367432      4.629843 
1 1 1 8  12 20 o 306.684 2.1977 941.419  9.3914  307.457 2.7828 305.911 3.4022 1.545624       4.395323 
1 1 1 8  12 22 o 94.214  1.6534 88.772   2.2024  95.806  2.3326 92.622  2.3438 3.184418       3.306746 
1 1 1 8  12 24 o 75.200  1.5648 56.542   1.6503  74.947  2.0447 75.452  2.3695 -0.5051498     3.129698 
1 1 1 8  12 26 o 255.990 2.1629 655.716  7.7997  255.192 2.9024 256.788 3.2076 -1.595642      4.325792 
1 1 1 8  12 28 f 309.857 2.4682 961.133  10.736  309.432 3.2397 310.283 3.7246 -0.8512573     4.936430 
1 1 1 8  12 30 f 76.752  1.8519 58.363   1.8784  74.938  2.0449 78.567  3.0882 -3.629158      3.703886 
1 1 1 8  12 32 o 178.871 1.8958 319.992  4.3777  178.465 1.9678 179.276 3.2410 -0.8105469     3.791617 
1 1 1 8  12 34 o 162.732 1.8080 265.836  3.7631  163.587 1.8345 161.877 3.1161 1.709991       3.615950 
1 1 1 8  12 36 o 74.862  2.0312 56.080   2.0123  74.560  2.2265 75.164  3.3979 -0.6040421     4.062441 
1 1 1 8  12 38 o 41.950  2.7751 18.016   1.5554  43.970  3.0495 39.929  4.6373 4.040546       5.550158 
1 1 1 8  12 40 o 34.620  3.7344 12.313   1.7089  34.864  4.2123 34.376  6.1676 0.4879417      7.468756 
1 1 1 8  12 42 o 28.262  4.1556 8.8239   1.6125  34.220  4.2915 22.304  7.1175 11.91595       8.311205 
1 1 1 8  12 44 o 34.896  4.3787 12.466   1.8978  32.942  4.4580 36.849  7.5378 -3.906384      8.757383 
1 1 1 8  12 46 o 40.215  3.5605 16.003   1.8816  34.763  4.2244 45.667  5.7326 -10.90326      7.120955 
1 1 1 8  12 48 o 16.801  5.1361 0.7495   2.0987  14.479  6.3185 19.124  8.0991 -4.645164      10.27226 
1 1 1 8  12 50 o 20.289  5.4741 3.9698   2.0691  15.829  6.5143 24.748  8.7992 -8.918557      10.94818 
1 1 1 8  12 52 o 15.194  4.8847 -0.3104  2.2543  14.399  6.4947 15.990  7.2980 -1.590929      9.769450 
1 1 1 8  13 1  o 262.363 2.0997 687.874  7.7767  259.456 2.8793 265.270 3.0569 -5.814270      4.199389 
1 1 1 8  13 3  o 512.108 3.4836 2623.12  25.201  512.721 5.0560 511.495 4.7935 1.226257       6.967142 
1 1 1 8  13 5  o 203.111 1.7231 412.437  4.9466  197.767 2.4537 208.455 2.4198 -10.68774      3.446170 
1 1 1 8  13 7  o 337.079 2.3910 1135.88  11.386  339.928 3.4562 334.230 3.3049 5.698517       4.782023 
1 1 1 8  13 9  o 408.681 2.7423 1670.73  15.809  408.224 4.0354 409.137 3.7143 -0.9137268     5.484529 
1 1 1 8  13 11 o 477.315 3.0880 2277.45  20.826  484.292 4.4431 470.337 4.2898 13.95468       6.176079 
1 1 1 8  13 13 o 354.936 2.4815 1258.96  12.418  351.308 3.3624 358.565 3.6505 -7.257599      4.963027 
1 1 1 8  13 15 o 290.491 2.1610 844.158  8.8711  290.050 3.1259 290.933 2.9848 -0.8829041     4.322070 
1 1 1 8  13 17 o 430.100 2.7941 1850.52  16.955  431.159 4.1021 429.041 3.7949 2.118042       5.588278 
1 1 1 8  13 19 o 368.738 2.5965 1362.78  13.287  371.541 3.2308 365.935 4.0655 5.606323       5.192955 
1 1 1 8  13 21 o 190.247 1.6142 359.493  4.1848  186.044 1.9219 194.449 2.5941 -8.405151      3.228479 
1 1 1 8  13 23 o 120.022 1.5433 144.156  2.6163  120.794 2.1144 119.249 2.2488 1.544876       3.086701 
1 1 1 8  13 25 f 72.584  1.6245 52.868   1.6601  68.625  2.4191 76.542  2.1689 -7.917099      3.249008 
1 1 1 8  13 27 o 66.158  1.7057 43.515   1.5860  61.046  2.4056 71.270  2.4189 -10.22393      3.411486 
1 1 1 8  13 29 o 133.464 1.4589 178.532  2.7396  135.572 1.9310 131.355 2.1874 4.216995       2.917776 
1 1 1 8  13 31 o 65.757  1.8527 42.430   1.6648  61.451  2.2859 70.062  2.9163 -8.610641      3.705420 
1 1 1 8  13 33 o 168.960 1.7847 285.424  4.0045  168.381 1.9718 169.540 2.9752 -1.158371      3.569336 
1 1 1 8  13 35 o 77.196  1.7877 59.636   1.8389  77.016  1.9897 77.376  2.9707 -0.3602219     3.575472 
1 1 1 8  13 37 o 104.529 1.8274 106.554  2.3126  100.128 1.7218 108.930 3.2239 -8.802612      3.654835 
1 1 1 8  13 39 o 75.453  1.8399 57.449   1.9427  78.680  2.3534 72.226  2.8289 6.454048       3.679861 
1 1 1 8  13 41 o 37.527  4.1047 15.002   1.9256  40.037  3.9870 35.017  7.1761 5.019516       8.209307 
1 1 1 8  13 43 o 32.006  5.0223 10.917   2.0870  32.295  5.1404 31.717  8.6296 0.5782833      10.04463 
1 1 1 8  13 45 o 14.996  4.5904 0.0448   1.7520  14.547  6.0679 15.445  6.8897 -0.8978786     9.180807 
1 1 1 8  13 47 o 15.743  4.6289 0.8757   1.7513  16.685  6.4502 14.801  6.6410 1.883330       9.257828 
1 1 1 8  13 49 o 17.084  4.9581 2.0688   1.8389  15.893  6.3631 18.276  7.6053 -2.383048      9.916137 
1 1 1 8  13 51 o 26.977  4.7609 8.8629   1.7251  26.505  5.4853 27.450  7.7831 -0.9448071     9.521822 
1 1 1 8  14 0  o 673.432 5.9743 4537.21  80.452  673.432 5.9743 ?       ?      0.000000       0.000000 
1 1 1 8  14 2  f 266.417 2.1542 710.139  8.1010  264.930 3.1572 267.904 2.9315 -2.973907      4.308326 
1 1 1 8  14 4  o 245.196 2.0010 601.432  6.9100  244.582 2.9761 245.809 2.6755 -1.226654      4.001907 
1 1 1 8  14 6  o 803.835 4.8895 6466.42  55.582  799.534 6.9478 808.136 6.8817 -8.601685      9.779053 
1 1 1 8  14 8  o 270.533 1.9943 731.766  7.6268  268.067 2.7868 272.999 2.8534 -4.931213      3.988507 
1 1 1 8  14 10 o 437.296 2.9115 1912.83  18.005  434.252 4.1170 440.339 4.1181 -6.086639      5.823079 
1 1 1 8  14 12 o 405.334 2.7827 1642.93  15.877  406.837 4.1433 403.831 3.7156 3.005646       5.565332 
1 1 1 8  14 14 o 446.414 2.9380 1993.74  18.546  442.920 4.1373 449.908 4.1724 -6.988068      5.875928 
1 1 1 8  14 16 o 108.588 1.3607 118.062  2.0511  108.027 2.1278 109.148 1.6965 -1.120377      2.721323 
1 1 1 8  14 18 o 379.330 2.5654 1439.95  13.758  377.914 3.6832 380.747 3.5720 -2.833282      5.130795 
1 1 1 8  14 20 o 278.282 2.2796 774.456  8.9618  275.500 3.1520 281.065 3.2940 -5.564819      4.559107 
1 1 1 8  14 22 o 71.108  1.6641 50.032   1.5987  68.914  1.9457 73.302  2.7003 -4.388573      3.328250 
1 1 1 8  14 24 o 109.886 2.1182 121.631  2.8355  111.046 1.9550 108.727 3.7584 2.319740       4.236485 
1 1 1 8  14 26 o 382.831 2.8232 1470.16  15.067  385.873 3.5742 379.789 4.3711 6.084167       5.646374 
1 1 1 8  14 28 o 77.746  2.0442 61.185   2.1654  74.819  3.3282 80.672  2.3745 -5.852379      4.088422 
1 1 1 8  14 30 o 259.801 2.1397 678.866  7.7144  264.855 2.6518 254.746 3.3586 10.10866       4.279326 
1 1 1 8  14 32 o 120.747 1.6864 147.875  2.6450  124.162 1.7485 117.333 2.8842 6.828629       3.372757 
1 1 1 8  14 34 o 41.355  2.8012 17.114   1.5975  40.838  3.4397 41.872  4.4222 -1.034714      5.602434 
1 1 1 8  14 36 o 24.987  4.6803 6.5344   1.6432  25.124  5.7180 24.850  7.4112 0.2734814      9.360622 
1 1 1 8  14 38 o 54.014  2.5381 29.681   1.8181  55.608  2.7557 52.421  4.2631 3.187122       5.076262 
1 1 1 8  14 40 o 21.903  5.2125 4.4224   2.0157  24.485  6.8018 19.320  7.9005 5.164907       10.42504 
1 1 1 8  14 42 o 24.983  5.2556 6.6404   1.9500  24.801  6.5827 25.165  8.1948 -0.3639736     10.51128 
1 1 1 8  14 44 o 16.922  4.8589 1.5588   1.7438  16.211  6.1983 17.633  7.4845 -1.421862      9.717830 
1 1 1 8  14 46 f 17.310  4.8662 2.2416   1.7673  16.871  6.5706 17.750  7.1797 -0.8790779     9.732471 
1 1 1 8  14 48 o 37.639  4.1027 16.276   1.9279  42.559  3.9007 32.719  7.2190 9.840141       8.205461 
1 1 1 8  14 50 o 16.216  4.8203 0.8060   1.9050  12.238  5.6754 20.194  7.7930 -7.956120      9.640615 
1 1 1 8  14 52 o 14.550  4.7236 -0.4553  2.1246  13.191  6.0251 15.909  7.2766 -2.717978      9.447258 
1 1 1 8  15 1  o 379.971 2.6915 1444.18  14.462  376.770 3.8300 383.172 3.7826 -6.401886      5.383042 
1 1 1 8  15 3  o 472.524 3.2450 2233.82  21.667  471.560 4.6985 473.487 4.4771 -1.926453      6.489973 
1 1 1 8  15 5  o 403.405 2.8933 1627.83  16.502  403.760 4.1433 403.051 4.0397 0.7088318      5.786660 
1 1 1 8  15 7  o 297.249 2.2710 883.708  9.5430  297.710 3.2600 296.788 3.1625 0.9216003      4.541925 
1 1 1 8  15 9  o 354.722 2.6038 1258.79  13.051  354.026 3.7694 355.417 3.5930 -1.391022      5.207504 
1 1 1 8  15 11 o 240.381 1.9717 577.250  6.6946  246.077 2.8283 234.686 2.7479 11.39078       3.943344 
1 1 1 8  15 13 o 256.850 1.9536 660.030  7.0730  256.263 2.8903 257.437 2.6290 -1.174316      3.907102 
1 1 1 8  15 15 o 174.134 1.5831 303.214  3.8855  174.573 2.3408 173.696 2.1321 0.8766327      3.166255 
1 1 1 8  15 17 o 115.783 1.4425 133.180  2.3349  120.165 2.1786 111.402 1.8914 8.763161       2.885062 
1 1 1 8  15 19 o 166.259 1.5219 276.651  3.5745  164.319 2.2149 168.200 2.0879 -3.880463      3.043825 
1 1 1 8  15 21 o 179.222 1.6501 321.250  4.1800  180.557 2.3693 177.888 2.2972 2.668518       3.300122 
1 1 1 8  15 23 o 215.444 2.0450 463.135  5.8895  213.789 2.2997 217.099 3.3822 -3.310104      4.090000 
1 1 1 8  15 25 o 71.025  1.9346 49.872   1.9218  76.862  2.8244 65.188  2.6446 11.67441       3.869291 
1 1 1 8  15 27 o 289.155 2.2650 838.231  9.1777  291.468 2.9355 286.841 3.4503 4.626587       4.530055 
1 1 1 8  15 29 o 158.507 1.7563 251.497  3.8101  158.510 2.0946 158.503 2.8198 0.7675171E-02  3.512696 
1 1 1 8  15 31 o 104.273 1.4971 108.496  2.1802  102.538 1.9304 106.008 2.2888 -3.469856      2.994155 
1 1 1 8  15 33 o 42.004  3.0845 17.504   1.7520  40.521  3.6242 43.486  4.9922 -2.964684      6.169002 
1 1 1 8  15 35 o 84.665  1.6810 71.696   1.9052  84.283  1.8939 85.047  2.7778 -0.7639465     3.362050 
1 1 1 8  15 37 o 86.454  1.7506 74.564   2.1156  83.932  2.2822 88.976  2.6552 -5.043877      3.501217 
1 1 1 8  15 39 o 34.191  4.6379 12.511   2.0813  36.861  4.8502 31.522  7.9066 5.338987       9.275704 
1 1 1 8  15 41 o 26.795  4.6017 7.8256   1.7520  30.627  4.7949 22.962  7.8556 7.665096       9.203331 
1 1 1 8  15 43 o 18.261  4.7816 2.2348   1.7878  22.035  7.1262 14.488  6.3775 7.546301       9.563225 
1 1 1 8  15 45 o 23.500  5.2339 5.9768   1.8590  20.318  6.6000 26.682  8.1250 -6.364187      10.46783 
1 1 1 8  15 47 o 35.645  5.0467 14.644   2.3384  36.019  5.3181 35.271  8.5787 0.7476425      10.09338 
1 1 1 8  15 49 o 17.349  4.9702 2.2054   1.9500  18.359  6.8061 16.339  7.2448 2.019972       9.940360 
1 1 1 8  15 51 o 20.291  5.3157 5.1157   2.0813  21.718  7.1288 18.865  7.8872 2.853312       10.63146 
1 1 1 8  16 0  o 149.769 2.4315 224.498  7.2790  149.769 2.4315 ?       ?      0.000000       0.000000 
1 1 1 8  16 2  o 82.987  1.7696 68.886   2.0746  80.140  2.5495 85.834  2.4548 -5.693253      3.539256 
1 1 1 8  16 4  o 421.120 3.1448 1766.14  18.312  428.783 4.9290 413.457 3.9071 15.32565       6.289674 
1 1 1 8  16 6  o 583.293 3.8019 3402.09  31.282  588.741 5.5745 577.845 5.1713 10.89594       7.603732 
1 1 1 8  16 8  o 115.728 1.5816 133.824  2.5761  116.665 2.3534 114.791 2.1137 1.873734       3.163240 
1 1 1 8  16 10 o 460.015 3.0236 2109.66  19.526  471.775 4.5204 448.254 4.0169 23.52112       6.047247 
1 1 1 8  16 12 o 354.446 2.5221 1256.90  12.642  354.887 3.5624 354.004 3.5713 0.8826904      5.044236 
1 1 1 8  16 14 o 142.023 1.6534 201.630  3.3153  140.765 2.2680 143.280 2.4064 -2.515060      3.306753 
1 1 1 8  16 16 o 218.708 1.8205 478.400  5.5927  219.024 2.7403 218.392 2.3974 0.6320953      3.641003 
1 1 1 8  16 18 o 182.037 1.7620 331.409  4.5253  182.701 2.5862 181.374 2.3939 1.326767       3.524029 
1 1 1 8  16 20 f 150.907 1.5214 228.055  3.1862  150.182 2.3809 151.632 1.8949 -1.450470      3.042881 
1 1 1 8  16 22 o 140.583 1.5601 197.528  3.0806  141.645 2.3440 139.521 2.0594 2.124695       3.120192 
1 1 1 8  16 24 o 143.343 1.7327 205.605  3.5106  143.478 2.4031 143.208 2.4968 0.2704468      3.465388 
1 1 1 8  16 26 f 169.804 1.6762 288.668  4.0226  173.320 2.3209 166.288 2.4190 7.031662       3.352364 
1 1 1 8  16 28 o 53.831  2.5354 28.430   1.8112  51.130  2.8722 56.533  4.1789 -5.403008      5.070801 
1 1 1 8  16 30 o 142.779 1.6297 203.752  3.2731  140.845 2.1760 144.713 2.4267 -3.868408      3.259457 
1 1 1 8  16 32 o 62.856  2.0852 40.107   1.8057  66.422  2.4993 59.289  3.3385 7.132828       4.170398 
1 1 1 8  16 34 f 110.424 1.9671 122.119  2.7545  110.241 1.9693 110.607 3.4059 -0.3661575     3.934245 
1 1 1 8  16 36 o 64.522  2.5484 42.021   2.1655  65.095  2.7464 63.948  4.2935 1.147800       5.096749 
1 1 1 8  16 38 o 42.748  3.0794 18.147   1.7724  40.751  3.6037 44.745  4.9945 -3.993813      6.158880 
1 1 1 8  16 40 o 58.415  2.3193 34.845   1.8830  63.998  2.8933 52.832  3.6257 11.16648       4.638619 
1 1 1 8  16 42 o 15.423  4.6580 -0.4976  1.8164  11.774  5.5004 19.073  7.5188 -7.299139      9.315943 
1 1 1 8  16 44 o 30.155  4.7407 10.887   1.9155  36.323  4.2189 23.987  8.4910 12.33555       9.481318 
1 1 1 8  16 46 o 26.175  4.4134 7.9659   1.8318  33.977  4.8860 18.373  7.3511 15.60380       8.826763 
1 1 1 8  16 48 o 29.626  4.5411 10.185   1.8318  27.515  6.1844 31.737  6.6513 -4.222183      9.082227 
1 1 1 8  16 50 o 18.341  5.1338 3.6209   1.9773  19.121  7.4364 17.562  7.0797 1.558739       10.26756 
1 1 1 8  17 1  o 253.252 2.0680 641.479  7.4061  255.319 2.9259 251.185 2.9233 4.133713       4.136016 
1 1 1 8  17 3  o 382.590 3.0265 1459.49  16.081  388.514 4.7003 376.665 3.8141 11.84866       6.053090 
1 1 1 8  17 5  o 101.476 1.6117 102.998  2.2702  101.442 2.5177 101.509 2.0128 -0.6664276E-01 3.223403 
1 1 1 8  17 7  o 215.145 1.8368 462.140  5.5648  218.718 2.7149 211.572 2.4747 7.146255       3.673554 
1 1 1 8  17 9  o 171.864 1.7527 295.388  4.2170  172.028 2.6724 171.700 2.2684 0.3282166      3.505332 
1 1 1 8  17 11 o 470.337 3.0774 2214.26  20.462  467.332 4.4267 473.341 4.2761 -6.008209      6.154761 
1 1 1 8  17 13 o 131.492 1.5729 172.342  2.8459  133.163 2.4934 129.821 1.9182 3.341736       3.145810 
1 1 1 8  17 15 o 129.739 1.5143 168.402  2.7771  128.779 2.1816 130.699 2.1007 -1.920135      3.028561 
1 1 1 8  17 17 o 332.024 2.3945 1103.19  11.225  332.390 3.4961 331.658 3.2728 0.7321472      4.788971 
1 1 1 8  17 19 o 191.989 1.7535 368.067  4.7309  194.792 2.6223 189.186 2.3288 5.606110       3.507077 
1 1 1 8  17 21 o 380.591 3.3954 1450.67  16.954  381.152 5.7292 380.030 3.6459 1.122467       6.790882 
1 1 1 8  17 23 o 252.973 2.0168 639.523  7.1948  257.253 2.9536 248.694 2.7472 8.559052       4.033681 
1 1 1 8  17 25 o 114.896 1.6122 132.029  2.6116  114.205 2.1804 115.587 2.3753 -1.381660      3.224350 
1 1 1 8  17 27 o 126.464 1.5536 160.106  2.7771  127.601 2.1517 125.326 2.2417 2.274368       3.107236 
1 1 1 8  17 29 o 211.859 1.9033 450.066  5.6569  213.614 2.4809 210.104 2.8870 3.510208       3.806575 
1 1 1 8  17 31 o 143.234 1.7135 206.192  3.4290  146.346 2.1815 140.121 2.6429 6.224930       3.426953 
1 1 1 8  17 33 o 155.662 1.7355 242.769  3.6590  155.614 2.0105 155.710 2.8294 -0.9570313E-01 3.471000 
1 1 1 8  17 35 o 100.761 1.8212 102.924  2.4312  103.478 1.9746 98.044  3.0608 5.433731       3.642479 
1 1 1 8  17 37 o 20.712  4.5741 4.3228   1.4998  19.035  6.4610 22.389  6.4766 -3.353924      9.148272 
1 1 1 8  17 39 o 25.384  4.8986 6.8873   1.9070  29.768  6.2092 20.999  7.5783 8.769020       9.797153 
1 1 1 8  17 41 o 56.857  2.6630 33.202   1.9921  58.440  2.8407 55.274  4.5051 3.166218       5.325931 
1 1 1 8  17 43 o 30.647  4.1300 10.286   1.7414  21.769  6.6888 39.524  4.8465 -17.75433      8.260040 
1 1 1 8  17 45 f 51.275  3.1862 26.895   2.1851  48.503  3.6859 54.047  5.1981 -5.543373      6.372337 
1 1 1 8  17 47 o 37.819  4.2615 16.713   2.0354  43.327  4.1263 32.311  7.4576 11.01653       8.523011 
1 1 1 8  17 49 o 33.251  5.1419 13.711   2.3003  29.723  6.8032 36.780  7.7118 -7.057274      10.28378 
1 1 1 8  18 0  o 84.428  2.7288 71.513   4.5972  84.428  2.7288 ?       ?      0.000000       0.000000 
1 1 1 8  18 2  o 360.874 2.6461 1302.85  13.502  361.863 3.7760 359.885 3.7081 1.977570       5.292258 
1 1 1 8  18 4  o 265.298 2.2397 704.018  8.3816  265.025 3.0356 265.571 3.2939 -0.5457458     4.479335 
1 1 1 8  18 6  o 467.970 3.1355 2191.35  20.748  470.162 4.4680 465.777 4.4004 4.385071       6.271070 
1 1 1 8  18 8  o 156.083 1.8251 243.266  3.9972  157.900 2.7497 154.265 2.4006 3.634094       3.650213 
1 1 1 8  18 10 o 176.626 1.6789 312.625  4.1761  173.208 2.5067 180.044 2.2342 -6.835907      3.357887 
1 1 1 8  18 12 o 233.658 1.9031 545.687  6.2813  237.371 2.7437 229.944 2.6379 7.426514       3.806128 
1 1 1 8  18 14 o 50.261  1.9736 25.099   1.3931  52.990  2.8919 47.532  2.6866 5.458214       3.947257 
1 1 1 8  18 16 o 109.825 1.5259 120.850  2.3556  108.369 2.2979 111.280 2.0082 -2.911026      3.051746 
1 1 1 8  18 18 o 78.159  1.7404 61.695   1.8398  75.947  2.8585 80.370  1.9861 -4.423660      3.480739 
1 1 1 8  18 20 o 173.272 1.9822 298.743  4.5972  175.842 3.2680 170.701 2.2443 5.141113       3.964427 
1 1 1 8  18 22 o 220.570 2.1232 485.949  6.5528  217.868 2.7549 223.272 3.2315 -5.403610      4.246414 
1 1 1 8  18 24 o 120.356 1.9315 144.726  3.0851  120.890 3.2218 119.823 2.1315 1.066162       3.863098 
1 1 1 8  18 26 o 107.329 1.4514 115.257  2.2024  109.172 2.0470 105.486 2.0580 3.686119       2.902702 
1 1 1 8  18 28 o 84.239  1.7461 71.145   2.0707  85.267  2.3214 83.210  2.6089 2.056725       3.492185 
1 1 1 8  18 30 o 104.614 1.5748 109.413  2.3266  107.142 2.2646 102.086 2.1891 5.055946       3.149680 
1 1 1 8  18 32 o 111.413 1.7025 124.384  2.6802  111.476 2.3484 111.350 2.4657 0.1254120      3.405085 
1 1 1 8  18 34 o 107.703 1.9506 116.493  2.7785  107.984 2.1287 107.421 3.2692 0.5635757      3.901111 
1 1 1 8  18 36 o 48.844  2.9177 23.951   1.9865  47.778  3.7419 49.909  4.4777 -2.131035      5.835333 
1 1 1 8  18 38 o 50.617  2.9319 26.139   2.0629  52.621  3.6402 48.612  4.5971 4.009068       5.863820 
1 1 1 8  18 40 o 30.980  4.1856 10.216   1.6857  32.014  4.3879 29.946  7.1291 2.067995       8.371245 
1 1 1 8  18 42 o 28.971  5.1646 9.1182   2.0318  24.354  6.6369 33.588  7.9147 -9.233295      10.32913 
1 1 1 8  18 44 o 28.206  5.2042 8.8926   1.9832  25.117  6.3486 31.295  8.2481 -6.177605      10.40846 
1 1 1 8  18 46 o 35.134  4.6174 13.160   2.0140  29.753  5.3446 40.516  7.5310 -10.76233      9.234779 
1 1 1 8  18 48 o 35.184  4.3743 14.477   2.1051  32.562  6.8798 37.806  5.4044 -5.244484      8.748698 
1 1 1 8  18 50 f 24.610  6.1222 9.0238   2.9144  27.962  7.4135 21.258  9.7449 6.704670       12.24431 
1 1 1 8  19 1  o 403.202 2.8673 1625.96  16.321  406.216 4.1811 400.188 3.9250 6.028015       5.734696 
1 1 1 8  19 3  o 142.499 1.6958 203.114  3.4133  142.567 2.3289 142.430 2.4656 0.1363678      3.391598 
1 1 1 8  19 5  o 608.825 3.9415 3711.79  33.936  610.363 5.5862 607.287 5.5619 3.075317       7.882942 
1 1 1 8  19 7  o 228.262 1.9789 520.822  6.3691  230.244 2.9118 226.281 2.6806 3.963379       3.957851 
1 1 1 8  19 9  o 199.914 1.8064 399.148  5.0953  203.967 2.6296 195.862 2.4776 8.105637       3.612894 
1 1 1 8  19 11 o 149.433 1.5587 223.661  3.2880  145.267 2.2856 153.600 2.1200 -8.332870      3.117458 
1 1 1 8  19 13 o 175.048 1.7432 305.892  4.2813  177.558 2.6251 172.537 2.2944 5.021637       3.486479 
1 1 1 8  19 15 o 116.353 1.7068 135.203  2.8036  119.671 2.4543 113.036 2.3725 6.635071       3.413545 
1 1 1 8  19 17 o 185.878 1.7896 345.191  4.6563  187.568 2.7233 184.188 2.3226 3.380295       3.579238 
1 1 1 8  19 19 o 245.640 2.2246 605.278  7.4665  243.863 3.5871 247.417 2.6323 -3.553528      4.449263 
1 1 1 8  19 21 o 198.845 2.1613 395.754  5.9445  198.757 2.6664 198.932 3.4022 -0.1744843     4.322585 
1 1 1 8  19 23 o 237.220 2.1923 564.000  7.2371  236.099 3.4075 238.341 2.7593 -2.241760      4.384649 
1 1 1 8  19 25 o 150.430 1.7193 226.407  3.5991  150.838 2.6668 150.023 2.1706 0.8146973      3.438517 
1 1 1 8  19 27 o 61.246  2.1799 37.403   1.8571  62.638  3.3639 59.853  2.7736 2.785019       4.359884 
1 1 1 8  19 29 f 106.457 1.7194 113.576  2.5855  108.378 2.3566 104.536 2.5043 3.842262       3.438734 
1 1 1 8  19 31 o 52.854  2.5218 27.867   1.8571  54.639  3.8564 51.070  3.2506 3.568146       5.043634 
1 1 1 8  19 33 o 83.670  1.8345 70.172   2.1690  84.960  2.6304 82.380  2.5577 2.579689       3.668921 
1 1 1 8  19 35 o 59.587  2.5434 36.560   2.0511  64.393  2.8756 54.781  4.1960 9.612236       5.086812 
1 1 1 8  19 37 o 89.365  2.0961 80.103   2.4437  88.816  2.2286 89.913  3.5507 -1.096855      4.192123 
1 1 1 8  19 39 f 22.575  5.3040 5.0462   1.8784  19.828  6.6000 25.322  8.3048 -5.493721      10.60802 
1 1 1 8  19 41 o 23.540  5.3938 5.8394   2.0897  19.686  7.3084 27.394  7.9346 -7.708342      10.78753 
1 1 1 8  19 43 o 48.503  3.0550 25.139   1.9702  52.339  3.2939 44.668  5.1460 7.670624       6.109905 
1 1 1 8  19 45 o 23.407  5.2097 5.7160   2.1004  16.281  6.8038 30.534  7.8914 -14.25257      10.41947 
1 1 1 8  19 47 o 16.483  5.1354 0.7155   2.2321  15.296  6.6101 17.670  7.8609 -2.373890      10.27074 
1 1 1 8  19 49 o 18.427  5.3730 3.4015   2.2754  19.000  7.0593 17.853  8.1021 1.147846       10.74607 
1 1 1 8  20 0  o 355.267 3.6313 1262.96  25.796  355.267 3.6313 ?       ?      0.000000       0.000000 
1 1 1 8  20 2  o 184.777 1.7349 341.536  4.5334  184.034 2.4633 185.520 2.4436 -1.485901      3.469766 
1 1 1 8  20 4  o 121.794 1.6159 148.204  2.7595  120.853 2.1133 122.735 2.4451 -1.881912      3.231798 
1 1 1 8  20 6  o 227.227 1.9379 516.371  6.2174  228.320 2.8245 226.135 2.6541 2.184952       3.875861 
1 1 1 8  20 8  o 168.741 1.5655 284.819  3.7350  165.903 2.2322 171.578 2.1956 -5.675034      3.131049 
1 1 1 8  20 10 o 139.144 1.7213 193.816  3.3829  137.353 2.5103 140.935 2.3559 -3.581421      3.442595 
1 1 1 8  20 12 o 73.480  1.6710 54.074   1.7027  73.129  2.6194 73.831  2.0756 -0.7021790     3.342022 
1 1 1 8  20 14 o 214.539 1.8458 460.742  5.5648  213.831 2.7770 215.246 2.4324 -1.415100      3.691679 
1 1 1 8  20 16 o 277.615 2.1474 772.543  8.3525  275.009 3.2737 280.222 2.7799 -5.212982      4.294718 
1 1 1 8  20 18 o 83.443  1.8764 68.742   2.1246  86.761  3.0173 80.126  2.2313 6.634979       3.752723 
1 1 1 8  20 20 o 229.572 2.0844 527.260  6.7627  226.005 2.9099 233.139 2.9852 -7.134018      4.168832 
1 1 1 8  20 22 o 53.366  2.7341 28.471   1.9933  53.768  4.3938 52.965  3.2549 0.8032646      5.468112 
1 1 1 8  20 24 o 142.156 1.8197 202.411  3.4114  142.006 3.0575 142.305 1.9742 -0.2994080     3.639484 
1 1 1 8  20 26 o 58.159  2.0878 33.037   1.6648  63.353  3.2251 52.964  2.6522 10.38922       4.175577 
1 1 1 8  20 28 o 98.710  1.9512 97.431   2.6832  99.628  3.0122 97.791  2.4811 1.837044       3.902454 
1 1 1 8  20 30 o 33.082  3.7072 11.112   1.6770  37.317  4.9620 28.848  5.5092 8.468571       7.414423 
1 1 1 8  20 32 o 38.466  3.5191 14.898   1.9070  40.512  5.0435 36.419  4.9090 4.092209       7.038110 
1 1 1 8  20 34 o 100.160 1.7582 100.902  2.4081  101.158 2.0829 99.163  2.8331 1.995529       3.516438 
1 1 1 8  20 36 o 71.010  2.2429 51.636   2.1913  76.442  2.6729 65.578  3.6025 10.86346       4.485821 
1 1 1 8  20 38 o 57.455  2.7860 33.303   2.2447  54.493  3.7495 60.418  4.1216 -5.925171      5.571907 
1 1 1 8  20 40 o 17.286  4.9275 1.8186   1.8318  16.298  6.5823 18.273  7.3344 -1.975077      9.854993 
1 1 1 8  20 42 o 14.412  4.6151 -1.9479  1.9500  10.959  5.2589 17.864  7.5855 -6.905324      9.230176 
1 1 1 8  20 44 o 19.777  6.0400 2.2499   2.6462  17.329  7.0418 22.225  9.8152 -4.896021      12.08000 
1 1 1 8  20 46 o 14.801  4.6811 -0.2980  1.9865  14.249  6.3124 15.352  6.9140 -1.102363      9.362163 
1 1 1 8  20 48 o 15.787  4.8956 0.9168   2.1385  17.023  7.1927 14.550  6.6431 2.472669       9.791134 
1 1 1 8  21 1  o 276.524 2.1573 764.744  8.4046  277.797 3.1949 275.251 2.8996 2.545929       4.314517 
1 1 1 8  21 3  o 107.086 1.7712 114.739  2.6817  108.428 2.4733 105.745 2.5360 2.683136       3.542393 
1 1 1 8  21 5  o 336.412 2.4993 1129.72  11.788  342.091 3.7703 330.733 3.2820 11.35751       4.998635 
1 1 1 8  21 7  o 89.363  1.6981 79.409   2.1004  91.573  2.6496 87.153  2.1246 4.419823       3.396222 
1 1 1 8  21 9  o 104.338 1.6875 108.860  2.4885  105.621 2.4181 103.054 2.3544 2.567810       3.374975 
1 1 1 8  21 11 o 372.573 2.6055 1389.74  13.727  373.015 3.7145 372.132 3.6547 0.8829346      5.210935 
1 1 1 8  21 13 o 366.187 2.6573 1340.90  13.721  372.096 3.8952 360.278 3.6154 11.81787       5.314512 
1 1 1 8  21 15 o 194.862 1.8122 380.216  4.9599  193.887 2.7333 195.837 2.3801 -1.949768      3.624351 
1 1 1 8  21 17 o 256.056 2.0552 656.063  7.4275  257.019 3.0060 255.092 2.8034 1.926941       4.110333 
1 1 1 8  21 19 o 71.244  2.1590 50.335   2.1240  73.875  3.3708 68.612  2.6987 5.262238       4.318033 
1 1 1 8  21 21 o 73.941  1.6874 54.760   1.7414  73.633  2.6014 74.249  2.1499 -0.6158829     3.374841 
1 1 1 8  21 23 o 196.900 2.0264 388.713  5.3899  196.295 3.3178 197.506 2.3276 -1.210876      4.052896 
1 1 1 8  21 25 o 111.044 1.7235 122.870  2.6072  112.689 2.7764 109.399 2.0428 3.290642       3.446903 
1 1 1 8  21 27 o 94.432  1.8099 89.205   2.3429  94.848  2.8947 94.015  2.1733 0.8329697      3.619724 
1 1 1 8  21 29 o 86.926  1.9116 75.072   2.1550  88.524  3.2457 85.329  2.0204 3.195564       3.823191 
1 1 1 8  21 31 o 81.237  1.7227 66.011   1.9711  79.326  2.3342 83.149  2.5341 -3.822601      3.445332 
1 1 1 8  21 33 o 83.961  1.8820 70.703   2.2329  84.865  2.7085 83.057  2.6138 1.808578       3.764048 
1 1 1 8  21 35 o 62.491  2.5372 39.131   2.1892  60.737  3.1538 64.246  3.9754 -3.509220      5.074469 
1 1 1 8  21 37 o 47.563  3.1379 23.114   2.1071  45.952  4.5854 49.174  4.2849 -3.221874      6.275870 
1 1 1 8  21 39 o 83.354  2.0617 70.319   2.3225  83.379  2.3739 83.329  3.3715 0.5054474E-01  4.123399 
1 1 1 8  21 41 o 46.315  3.8126 23.513   2.2042  49.956  3.5788 42.674  6.7331 7.282314       7.625119 
1 1 1 8  21 43 o 25.897  5.6821 8.0026   2.2117  23.925  7.1749 27.869  8.8129 -3.944815      11.36425 
1 1 1 8  21 45 o 29.447  4.3508 10.042   1.7414  27.780  5.9216 31.114  6.3761 -3.334187      8.701693 
1 1 1 8  21 47 o 18.683  5.4138 3.5411   2.2779  18.951  7.2403 18.415  8.0508 0.5362720      10.82764 
1 1 1 8  22 0  o 262.286 2.9464 688.435  15.452  262.286 2.9464 ?       ?      0.000000       0.000000 
1 1 1 8  22 2  o 334.441 2.5045 1119.55  11.840  334.941 3.6029 333.941 3.4799 0.9993286      5.009078 
1 1 1 8  22 4  o 270.750 2.1772 733.303  8.3177  272.227 3.1899 269.273 2.9640 2.953918       4.354379 
1 1 1 8  22 6  o 414.541 2.8495 1721.11  16.687  413.194 4.1414 415.887 3.9150 -2.693085      5.698946 
1 1 1 8  22 8  o 251.794 2.0718 634.678  7.3746  248.636 2.9789 254.952 2.8801 -6.315933      4.143519 
1 1 1 8  22 10 o 91.882  1.7041 84.481   2.1802  91.842  2.6418 91.923  2.1533 -0.8053589E-01 3.408223 
1 1 1 8  22 12 o 253.472 2.0591 643.100  7.3635  253.149 3.0267 253.796 2.7926 -0.6467743     4.118165 
1 1 1 8  22 14 o 89.414  1.8517 80.011   2.3091  89.372  2.8577 89.455  2.3554 -0.8348083E-01 3.703351 
1 1 1 8  22 16 o 61.893  2.0689 37.950   1.7057  63.479  3.4199 60.308  2.3292 3.170818       4.137761 
1 1 1 8  22 18 f 115.839 1.8295 132.401  2.9344  122.740 2.8091 108.937 2.3445 13.80341       3.658938 
1 1 1 8  22 20 o 134.802 1.7005 182.155  3.1988  133.772 2.6252 135.833 2.1623 -2.060745      3.401066 
1 1 1 8  22 22 o 149.510 1.8883 220.382  3.6774  154.410 3.1841 144.610 2.0311 9.799301       3.776690 
1 1 1 8  22 24 o 141.254 1.7579 200.176  3.4304  140.081 2.7804 142.428 2.1518 -2.346359      3.515866 
1 1 1 8  22 26 f 107.314 1.8316 115.284  2.6728  107.551 2.9684 107.078 2.1467 0.4724426      3.663267 
1 1 1 8  22 28 o 115.050 1.7364 131.678  2.7383  117.923 2.7614 112.176 2.1060 5.746811       3.472884 
1 1 1 8  22 30 o 101.384 1.8013 102.660  2.4758  102.622 2.9243 100.146 2.1040 2.476463       3.602528 
1 1 1 8  22 32 o 98.230  1.7691 96.534   2.4479  100.777 2.5977 95.682  2.4023 5.094872       3.538249 
1 1 1 8  22 34 o 82.399  1.8906 68.257   2.2024  82.354  2.7136 82.444  2.6332 -0.9015656E-01 3.781195 
1 1 1 8  22 36 o 50.218  5.4033 28.845   2.4393  55.214  3.0067 45.222  10.380 9.992191       10.80658 
1 1 1 8  22 38 o 31.445  5.1159 10.617   2.0870  29.118  5.9072 33.771  8.3543 -4.652855      10.23174 
1 1 1 8  22 40 o 19.435  4.8433 3.8703   1.6503  18.727  6.5823 20.143  7.1067 -1.415556      9.686686 
1 1 1 8  22 42 o 19.084  5.6377 2.3822   2.5383  19.340  7.7055 18.829  8.2317 0.5115719      11.27546 
1 1 1 8  22 44 o 28.330  4.6314 9.5305   1.8057  29.015  5.9266 27.645  7.1186 1.369383       9.262787 
1 1 1 8  22 46 o 25.899  5.6370 9.0650   2.2303  24.944  7.4055 26.854  8.5008 -1.909872      11.27408 
1 1 1 8  23 1  o 92.948  1.6272 86.419   2.1385  91.712  2.2975 94.184  2.3050 -2.471558      3.254430 
1 1 1 8  23 3  o 92.230  1.7603 84.597   2.2827  97.244  2.5607 87.215  2.4159 10.02873       3.520530 
1 1 1 8  23 5  o 332.147 2.4671 1104.34  11.585  334.802 3.5282 329.493 3.4494 5.308807       4.934164 
1 1 1 8  23 7  o 197.720 1.8499 391.235  5.1711  197.250 2.6544 198.190 2.5773 -0.9399414     3.699771 
1 1 1 8  23 9  o 287.525 2.2412 827.008  9.0583  288.960 3.3587 286.090 2.9683 2.870331       4.482391 
1 1 1 8  23 11 o 216.317 2.0172 467.969  6.1336  217.589 3.0225 215.045 2.6722 2.543365       4.034399 
1 1 1 8  23 13 o 71.935  2.0776 50.701   2.0123  76.091  3.3565 67.779  2.4493 8.312302       4.155176 
1 1 1 8  23 15 o 127.505 1.6304 162.194  2.9149  130.026 2.4553 124.984 2.1457 5.042023       3.260722 
1 1 1 8  23 17 o 83.069  1.9704 69.143   2.2702  82.751  3.0864 83.387  2.4503 -0.6361771     3.940768 
1 1 1 8  23 19 o 96.850  1.9023 92.870   2.3944  99.125  3.2207 94.576  2.0254 4.548660       3.804620 
1 1 1 8  23 21 o 81.406  1.9635 66.696   2.2056  79.822  3.1196 82.990  2.3851 -3.167763      3.926914 
1 1 1 8  23 23 o 87.322  2.0062 77.024   2.3658  85.142  3.2997 89.502  2.2829 -4.360245      4.012427 
1 1 1 8  23 25 o 140.783 1.7370 199.058  3.3489  139.523 2.7916 142.043 2.0678 -2.519623      3.473979 
1 1 1 8  23 27 o 153.011 1.7759 234.216  3.7927  154.602 2.7258 151.420 2.2771 3.181808       3.551748 
1 1 1 8  23 29 o 150.917 1.7186 228.448  3.5846  150.718 2.7113 151.116 2.1126 -0.3978424     3.437215 
1 1 1 8  23 31 o 81.827  2.1811 67.298   2.5185  81.811  3.1999 81.843  2.9646 -0.3164673E-01 4.362119 
1 1 1 8  23 33 o 81.813  2.2089 67.445   2.5524  82.296  3.0259 81.329  3.2188 0.9664917      4.417788 
1 1 1 8  23 35 o 62.532  2.5207 39.374   2.1246  61.515  2.9063 63.550  4.1194 -2.035496      5.041428 
1 1 1 8  23 37 o 38.843  3.9343 15.305   2.0789  35.108  4.9105 42.579  6.1482 -7.471584      7.868522 
1 1 1 8  23 39 o 54.728  2.7281 31.542   2.0113  58.669  3.0473 50.787  4.5260 7.882660       5.456268 
1 1 1 8  23 41 o 23.564  5.2575 6.5407   2.0253  26.087  6.9650 21.041  7.8775 5.046337       10.51501 
1 1 1 8  23 43 o 38.557  4.8116 18.031   2.2986  43.763  4.3770 33.351  8.5701 10.41177       9.623165 
1 1 1 8  23 45 o 25.978  5.0240 8.7135   1.9134  27.629  6.7502 24.326  7.4430 3.303110       10.04806 
1 1 1 8  24 0  o 53.413  3.2526 28.860   3.4479  53.413  3.2526 ?       ?      0.000000       0.000000 
1 1 1 8  24 2  o 145.106 1.6654 210.754  3.4157  146.867 2.3042 143.345 2.4053 3.521729       3.330892 
1 1 1 8  24 4  o 152.278 1.7204 232.096  3.7033  149.616 2.4752 154.941 2.3902 -5.325134      3.440871 
1 1 1 8  24 6  o 172.899 1.7909 299.103  4.3623  173.096 2.6559 172.702 2.4031 0.3945313      3.581736 
1 1 1 8  24 8  o 364.379 2.6266 1328.80  13.522  359.386 3.6421 369.373 3.7857 -9.986420      5.253236 
1 1 1 8  24 10 o 271.631 2.1705 738.999  8.3294  269.227 3.1543 274.034 2.9824 -4.807434      4.340989 
1 1 1 8  24 12 o 155.904 1.6697 242.769  3.6378  157.572 2.5529 154.236 2.1527 3.336166       3.339331 
1 1 1 8  24 14 f 147.222 1.5679 216.765  3.2363  147.799 2.3760 146.644 2.0464 1.154602       3.135838 
1 1 1 8  24 16 o 64.845  2.4405 41.740   2.1892  67.335  3.7930 62.354  3.0720 4.980900       4.880969 
1 1 1 8  24 18 o 146.419 2.1152 214.617  4.3549  147.317 3.1640 145.521 2.8081 1.795792       4.230424 
1 1 1 8  24 20 o 61.389  2.4987 37.450   2.1409  64.231  3.7775 58.547  3.2718 5.683945       4.997402 
1 1 1 8  24 22 o 48.623  2.8290 23.411   1.9050  51.417  4.3463 45.828  3.6225 5.589405       5.657994 
1 1 1 8  24 24 f 191.188 1.9801 366.547  5.2885  191.009 3.0420 191.367 2.5358 -0.3579865     3.960260 
1 1 1 8  24 26 o 204.389 1.8363 419.798  5.2117  202.255 2.8728 206.522 2.2879 -4.267670      3.672508 
1 1 1 8  24 28 o 108.826 1.8809 118.647  2.8222  109.395 2.9767 108.257 2.3002 1.137962       3.761895 
1 1 1 8  24 30 o 40.738  4.0229 16.783   2.1367  41.265  6.8083 40.212  4.2872 1.052986       8.045703 
1 1 1 8  24 32 o 37.354  4.3719 15.084   2.0813  33.644  7.5829 41.064  4.3538 -7.419647      8.743882 
1 1 1 8  24 34 o 36.151  4.4600 14.829   2.0354  43.066  4.1513 29.235  7.8952 13.83064       8.920072 
1 1 1 8  24 36 o 52.137  3.6358 29.401   2.3576  56.670  3.3801 47.603  6.4383 9.067242       7.271623 
1 1 1 8  24 38 o 30.413  4.6524 10.451   1.9469  32.439  6.3275 28.388  6.8223 4.051466       9.304877 
1 1 1 8  24 40 o 35.498  4.0566 14.035   1.9427  41.435  4.9311 29.561  6.4427 11.87384       8.113217 
1 1 1 8  24 42 o 62.000  3.0280 41.350   2.4519  64.687  3.1586 59.314  5.1671 5.372169       6.056050 
1 1 1 8  24 44 o 37.691  3.9052 16.192   2.0511  37.176  4.9808 38.207  6.0162 -1.031364      7.810461 
1 1 1 8  25 1  o 184.495 1.7749 340.574  4.6237  183.964 2.4296 185.027 2.5882 -1.063324      3.549844 
1 1 1 8  25 3  o 178.109 1.7744 316.884  4.4549  181.579 2.6021 174.639 2.4130 6.939133       3.548795 
1 1 1 8  25 5  o 74.701  2.1393 56.261   2.2183  77.273  2.6442 72.130  3.3638 5.142967       4.278640 
1 1 1 8  25 7  o 222.130 1.9241 493.177  5.9959  224.297 2.9036 219.962 2.5254 4.334824       3.848222 
1 1 1 8  25 9  o 131.429 1.6348 171.973  2.9922  134.697 2.5124 128.161 2.0925 6.536285       3.269606 
1 1 1 8  25 11 o 154.455 1.7112 238.487  3.7219  156.142 2.5353 152.768 2.2988 3.373703       3.422319 
1 1 1 8  25 13 o 143.281 1.7372 205.698  3.5013  142.225 2.6038 144.337 2.3003 -2.111755      3.474402 
1 1 1 8  25 15 o 106.053 1.8678 112.697  2.7331  105.793 2.9573 106.312 2.2823 -0.5190964     3.735583 
1 1 1 8  25 17 o 154.173 2.0789 237.427  4.5109  158.129 3.0688 150.217 2.8054 7.911591       4.157826 
1 1 1 8  25 19 o 158.625 1.9659 251.600  4.3825  160.699 2.9402 156.551 2.6103 4.148178       3.931736 
1 1 1 8  25 21 o 221.639 2.0176 491.950  6.3051  223.687 2.9686 219.590 2.7332 4.096756       4.035269 
1 1 1 8  25 23 o 120.523 1.8746 145.478  3.1810  121.644 2.7820 119.402 2.5133 2.241112       3.749144 
1 1 1 8  25 25 o 95.447  1.8280 91.329   2.4379  95.655  2.8035 95.238  2.3465 0.4174957      3.655928 
1 1 1 8  25 27 o 35.406  3.9562 12.609   1.9050  40.145  5.5667 30.667  5.6230 9.478033       7.912428 
1 1 1 8  25 29 o 19.947  5.2516 3.1802   1.8125  22.394  8.4140 17.500  6.2867 4.893978       10.50325 
1 1 1 8  25 31 o 38.608  4.4038 15.907   2.0358  36.734  7.8756 40.481  3.9432 -3.747822      8.807644 
1 1 1 8  25 33 o 61.089  2.6463 38.040   2.2447  60.053  4.1466 62.125  3.2889 -2.072491      5.292567 
1 1 1 8  25 35 o 25.083  5.3153 6.9384   2.1802  29.261  6.8738 20.906  8.1092 8.355053       10.63057 
1 1 1 8  25 37 o 20.020  5.2341 3.3512   2.1051  15.950  6.9190 24.090  7.8556 -8.139812      10.46814 
1 1 1 8  25 39 o 17.060  5.1129 1.3933   2.1347  17.575  7.4159 16.545  7.0407 1.030350       10.22579 
1 1 1 8  25 41 o 25.633  5.0973 8.1161   1.9865  28.745  6.3873 22.521  7.9455 6.224112       10.19454 
1 1 1 8  25 43 o 44.271  4.3817 23.081   2.7322  46.303  6.3433 42.240  6.0464 4.062706       8.763391 
1 1 1 8  26 0  o 99.499  3.0868 99.351   6.1296  99.499  3.0868 ?       ?      0.000000       0.000000 
1 1 1 8  26 2  f 191.583 1.8152 367.460  4.9157  190.281 2.6174 192.885 2.5158 -2.604141      3.630407 
1 1 1 8  26 4  o 235.557 2.0803 554.992  6.9100  238.199 3.0558 232.915 2.8236 5.283386       4.160625 
1 1 1 8  26 6  f 141.180 1.8073 199.360  3.6005  142.553 2.6427 139.806 2.4662 2.746521       3.614666 
1 1 1 8  26 8  o 144.093 1.7273 208.148  3.5071  141.695 2.5685 146.491 2.3101 -4.796310      3.454537 
1 1 1 8  26 10 o 78.864  1.9387 61.773   2.0585  80.623  3.1679 77.104  2.2359 3.518639       3.877428 
1 1 1 8  26 12 o 147.673 1.8727 218.974  3.8855  144.377 2.8304 150.970 2.4530 -6.592896      3.745451 
1 1 1 8  26 14 o 50.689  3.0268 25.817   2.0813  50.532  4.9279 50.847  3.5160 -0.3156815     6.053683 
1 1 1 8  26 16 o 90.210  2.4296 81.631   3.0964  88.580  3.5320 91.840  3.3371 -3.260338      4.859179 
1 1 1 8  26 18 o 51.232  3.9196 26.380   2.8324  49.198  5.4508 53.265  5.6340 -4.066971      7.839249 
1 1 1 8  26 20 o 193.940 2.0852 377.233  5.7059  193.885 3.0627 193.995 2.8306 -0.1101837     4.170385 
1 1 1 8  26 22 o 202.655 2.0783 410.346  5.8550  206.482 3.2160 198.827 2.6333 7.654526       4.156553 
1 1 1 8  26 24 o 67.009  2.6690 45.150   2.5023  67.446  4.0708 66.572  3.4528 0.8735580      5.337905 
1 1 1 8  26 26 o 53.122  2.6183 27.786   1.8297  55.683  4.3574 50.562  2.9045 5.121037       5.236684 
1 1 1 8  26 28 o 76.047  2.3238 58.134   2.3650  76.479  3.8404 75.615  2.6177 0.8635559      4.647697 
1 1 1 8  26 30 o 18.460  5.2599 1.4848   2.0813  22.071  8.3051 14.848  6.4569 7.223382       10.51982 
1 1 1 8  26 32 o 51.467  3.4736 26.706   2.3264  53.451  5.8534 49.484  3.7419 3.966621       6.947234 
1 1 1 8  26 34 o 60.602  2.7936 37.710   2.2042  60.527  4.7471 60.677  2.9464 -0.1500893     5.587137 
1 1 1 8  26 36 o 21.752  5.4903 5.0223   2.1004  20.542  7.2340 22.962  8.2610 -2.419321      10.98070 
1 1 1 8  26 38 o 22.402  5.7281 5.5933   2.3837  20.610  8.2293 24.195  7.9703 -3.585085      11.45626 
1 1 1 8  26 40 f 16.743  5.1746 0.8318   2.2520  16.175  6.7841 17.310  7.8154 -1.134138      10.34912 
1 1 1 8  26 42 o 20.178  5.1949 5.0222   1.9344  20.859  7.1288 19.498  7.5582 1.360796       10.38973 
1 1 1 8  27 1  o 141.897 1.9599 201.873  3.9245  139.440 2.8848 144.355 2.6539 -4.914856      3.919861 
1 1 1 8  27 3  o 150.587 1.9789 227.116  4.2141  149.845 2.8123 151.329 2.7847 -1.484009      3.957769 
1 1 1 8  27 5  o 45.982  3.5383 21.262   2.2986  44.801  5.1307 47.162  4.8739 -2.360634      7.076623 
1 1 1 8  27 7  o 68.528  2.2415 47.067   2.1690  68.291  3.2724 68.765  3.0642 -0.4741516     4.483060 
1 1 1 8  27 9  o 142.052 1.9863 201.753  3.9781  139.166 2.7070 144.938 2.9076 -5.771347      3.972594 
1 1 1 8  27 11 f 59.515  3.0388 35.592   2.5524  58.597  4.4676 60.432  4.1206 -1.835278      6.077691 
1 1 1 8  27 13 o 146.362 2.0817 214.615  4.0245  146.287 3.4918 146.437 2.2673 -0.1497650     4.163340 
1 1 1 8  27 15 o 149.744 2.2938 222.265  4.6429  144.937 2.6873 154.551 3.7182 -9.613724      4.587670 
1 1 1 8  27 17 o 123.981 2.0839 153.920  3.5056  124.440 3.3865 123.521 2.4295 0.9190598      4.167820 
1 1 1 8  27 19 f 99.383  2.0127 98.057   2.7165  102.381 3.2430 96.384  2.3848 5.996994       4.025489 
1 1 1 8  27 21 o 53.469  2.9872 28.335   2.1180  55.525  4.9447 51.412  3.3532 4.112911       5.974470 
1 1 1 8  27 23 o 91.049  2.1928 84.449   2.6728  87.410  3.6524 94.687  2.4276 -7.277733      4.385539 
1 1 1 8  27 25 o 44.501  3.7064 19.198   2.0432  47.794  6.4125 41.207  3.7188 6.587227       7.412796 
1 1 1 8  27 27 o 34.546  5.0878 13.888   2.1537  28.129  9.3338 40.963  4.0527 -12.83473      10.17566 
1 1 1 8  27 29 o 25.273  5.1269 6.7867   1.8475  24.954  8.4134 25.592  5.8615 -0.6379948     10.25388 
1 1 1 8  27 31 o 43.388  4.7913 20.545   2.4978  40.855  8.5584 45.922  4.3103 -5.067390      9.582538 
1 1 1 8  27 33 o 38.291  5.7309 15.818   2.3250  39.263  10.634 37.319  4.2773 1.943413       11.46178 
1 1 1 8  27 35 o 26.472  6.1279 7.5559   2.3263  31.725  10.060 21.219  7.0004 10.50636       12.25582 
1 1 1 8  27 37 o 31.056  4.4296 11.210   1.8701  35.796  4.8161 26.317  7.4357 9.479389       8.859140 
1 1 1 8  27 39 o 19.891  5.4462 3.7811   2.0987  15.799  6.5813 23.982  8.6793 -8.183001      10.89239 
1 1 1 8  27 41 o 56.251  2.9801 33.908   2.3003  54.238  3.6494 58.265  4.7122 -4.026691      5.960152 
1 1 1 8  28 0  o 96.780  2.8423 93.988   5.4911  96.780  2.8423 ?       ?      0.000000       0.000000 
1 1 1 8  28 2  o 174.319 2.1667 304.807  5.3313  167.508 3.1638 181.130 2.9611 -13.62160      4.333318 
1 1 1 8  28 4  o 120.395 1.9129 145.196  3.2564  118.963 2.7373 121.827 2.6729 -2.863846      3.825892 
1 1 1 8  28 6  o 115.011 1.9628 132.458  3.1912  114.321 2.7367 115.702 2.8145 -1.380669      3.925669 
1 1 1 8  28 8  o 104.145 2.0003 108.846  2.9316  102.238 2.9977 106.053 2.6491 -3.815712      4.000505 
1 1 1 8  28 10 o 119.277 3.1800 136.587  4.0639  125.402 5.8554 113.152 2.4829 12.25002       6.360087 
1 1 1 8  28 12 o 199.923 2.2809 400.789  6.4489  199.523 3.2322 200.322 3.2193 -0.7984314     4.561853 
1 1 1 8  28 14 o 147.718 2.0938 218.772  4.3717  147.057 2.9091 148.379 3.0122 -1.322006      4.187637 
1 1 1 8  28 16 o 60.489  3.0183 35.758   2.3609  64.022  5.0863 56.955  3.2511 7.067314       6.036567 
1 1 1 8  28 18 o 126.221 2.0567 159.362  3.4581  127.146 3.4148 125.295 2.2932 1.851288       4.113369 
1 1 1 8  28 20 o 86.524  2.2009 75.496   2.5848  85.431  3.5875 87.617  2.5506 -2.186195      4.401764 
1 1 1 8  28 22 o 27.664  5.3029 7.9367   2.0572  24.977  9.3268 30.351  5.0490 -5.373079      10.60579 
1 1 1 8  28 24 o 69.874  3.0142 47.891   2.4019  72.572  5.4549 67.176  2.5663 5.396385       6.028398 
1 1 1 8  28 26 o 55.095  3.1490 30.857   2.1899  54.816  5.4747 55.374  3.1133 -0.5586815     6.297962 
1 1 1 8  28 28 o 66.841  2.5884 44.631   2.3188  69.366  4.2343 64.317  2.9783 5.048950       5.176769 
1 1 1 8  28 30 f 20.617  6.3709 1.1102   2.6737  23.927  10.716 17.306  6.8930 6.621513       12.74183 
1 1 1 8  28 32 o 17.916  5.3370 1.0248   2.1822  18.294  8.3603 17.539  6.6361 0.7542706      10.67394 
1 1 1 8  28 34 o 21.179  6.0582 3.5551   2.0990  25.601  10.379 16.757  6.2511 8.843201       12.11648 
1 1 1 8  28 36 o 26.658  5.2981 8.5826   2.1004  24.574  8.3048 28.742  6.5810 -4.168184      10.59624 
1 1 1 8  28 38 o 30.424  4.6980 11.098   2.0067  26.106  7.6083 34.742  5.5136 -8.635920      9.396013 
1 1 1 8  28 40 o 19.075  5.4623 3.1171   2.5109  21.330  7.5901 16.821  7.8574 4.509512       10.92465 
1 1 1 8  29 1  o 84.597  2.4945 71.835   2.8483  84.330  4.0886 84.863  2.8591 -0.5329742     4.989079 
1 1 1 8  29 3  o 150.143 2.1565 226.295  4.5544  147.894 3.2380 152.391 2.8491 -4.497009      4.313011 
1 1 1 8  29 5  o 99.500  2.2607 98.736   3.0880  101.291 3.5931 97.709  2.7446 3.582458       4.521404 
1 1 1 8  29 7  o 114.927 2.1375 132.996  3.4290  111.934 3.3085 117.919 2.7074 -5.985504      4.275044 
1 1 1 8  29 9  o 166.178 2.3223 276.649  5.3522  167.134 3.6293 165.222 2.8984 1.912567       4.644620 
1 1 1 8  29 11 o 193.755 2.2718 376.570  6.2213  191.647 3.1651 195.863 3.2600 -4.215958      4.543687 
1 1 1 8  29 13 o 160.916 2.1755 258.264  4.8889  166.132 3.3053 155.700 2.8296 10.43144       4.351039 
1 1 1 8  29 15 o 133.255 2.6868 174.307  4.4934  138.801 4.6461 127.710 2.6998 11.09135       5.373601 
1 1 1 8  29 17 o 55.457  3.7014 32.104   2.5150  52.351  6.5861 58.562  3.3800 -6.210350      7.402780 
1 1 1 8  29 19 o 127.725 2.1176 161.604  3.5551  131.503 3.5445 123.947 2.3181 7.556435       4.235210 
1 1 1 8  29 21 o 116.059 2.0000 134.722  3.1762  117.735 3.1997 114.383 2.4003 3.352699       3.999960 
1 1 1 8  29 23 o 96.135  2.0131 93.414   2.6952  93.665  3.1358 98.606  2.5254 -4.941841      4.026240 
1 1 1 8  29 25 o 48.683  4.1361 24.838   2.4628  46.914  7.3495 50.453  3.7967 -3.538593      8.272190 
1 1 1 8  29 27 o 35.474  4.4630 12.748   1.9831  38.428  7.5808 32.521  4.7121 5.906666       8.925960 
1 1 1 8  29 29 f 33.312  4.7539 11.861   2.0789  36.552  7.4204 30.072  5.9443 6.480387       9.507723 
1 1 1 8  29 31 o 17.997  5.4656 0.8173   2.4519  18.398  8.1969 17.597  7.2319 0.8007011      10.93113 
1 1 1 8  29 33 o 20.057  5.0657 3.4030   1.9389  17.783  8.0789 22.331  6.1137 -4.548649      10.13140 
1 1 1 8  29 35 o 33.125  4.9059 12.256   1.9137  33.624  8.8167 32.625  4.3056 0.9984474      9.811872 
1 1 1 8  29 37 o 19.844  4.9352 4.1716   1.8815  23.002  6.7692 16.686  7.1834 6.316355       9.870354 
1 1 1 8  29 39 o 15.927  4.9417 0.9494   2.1469  16.068  6.7636 15.786  7.2066 0.2811918      9.883362 
1 1 1 8  30 0  o 22.721  11.372 7.7898   6.2573  22.721  11.372 ?       ?      0.000000       0.000000 
1 1 1 8  30 2  o 62.097  3.4965 38.719   3.0316  60.863  4.5111 63.331  5.3435 -2.467785      6.993070 
1 1 1 8  30 4  o 30.589  6.0577 9.8656   2.7441  32.525  8.2334 28.652  8.8879 3.872757       12.11543 
1 1 1 8  30 6  o 101.898 2.3706 104.128  3.4085  100.444 3.2420 103.351 3.4597 -2.907104      4.741278 
1 1 1 8  30 8  o 73.148  3.1173 53.892   3.2241  72.969  4.4627 73.328  4.3537 -0.3595123     6.234646 
1 1 1 8  30 10 f 49.979  3.5233 25.221   2.4902  49.659  5.0145 50.298  4.9508 -0.6387672     7.046672 
1 1 1 8  30 12 o 103.756 2.3211 108.452  3.2643  102.819 3.7881 104.694 2.6835 -1.875114      4.642264 
1 1 1 8  30 14 o 117.455 2.1230 138.741  3.4932  116.332 3.2383 118.579 2.7462 -2.246536      4.245939 
1 1 1 8  30 16 o 58.624  3.0860 34.628   2.5397  59.076  4.6475 58.172  4.0612 0.9036446      6.171923 
1 1 1 8  30 18 o 32.807  5.5475 11.357   2.5141  36.495  8.0871 29.119  7.5959 7.376322       11.09499 
1 1 1 8  30 20 o 43.715  4.8839 19.288   2.9358  47.892  7.4660 39.538  6.2981 8.353855       9.767707 
1 1 1 8  30 22 o 74.939  3.1452 57.212   3.2186  74.168  5.0793 75.710  3.7108 -1.542336      6.290381 
1 1 1 8  30 24 o 69.232  3.3230 49.037   3.1710  69.029  5.2724 69.434  4.0462 -0.4047318     6.646003 
1 1 1 8  30 26 o 25.499  5.8607 6.6068   2.2583  29.585  9.3045 21.413  7.1288 8.172234       11.72148 
1 1 1 8  30 28 o 35.436  5.5732 14.722   2.7155  30.841  9.4560 40.031  5.9016 -9.190294      11.14647 
1 1 1 8  30 30 o 23.581  5.6187 6.1365   2.2779  21.627  8.6324 25.536  7.1946 -3.908939      11.23744 
1 1 1 8  30 32 o 25.031  5.9058 7.2673   2.2754  27.580  9.4305 22.481  7.1118 5.098896       11.81156 
1 1 1 8  30 34 o 20.086  5.5659 3.9658   2.1851  21.802  8.6543 18.369  7.0015 3.433290       11.13188 
1 1 1 8  30 36 o 51.167  3.2414 28.351   2.3196  49.952  4.9851 52.381  4.1445 -2.428925      6.482869 
1 1 1 8  30 38 o 32.940  5.4332 13.722   2.4437  23.870  7.4716 42.009  7.8901 -18.13994      10.86635 
1 1 1 8  31 1  o 24.038  5.8638 5.4222   2.4112  24.466  8.6029 23.611  7.9703 0.8552017      11.72753 
1 1 1 8  31 3  o 76.916  2.4417 59.472   2.6402  76.604  3.6675 77.229  3.2244 -0.6251755     4.883340 
1 1 1 8  31 5  o 31.953  5.5951 10.947   2.4094  28.553  9.8889 35.354  5.2374 -6.801765      11.19024 
1 1 1 8  31 7  o 137.240 1.9574 188.979  3.7988  136.453 2.7608 138.027 2.7756 -1.573975      3.914809 
1 1 1 8  31 9  f 108.062 2.2356 117.320  3.4157  109.889 3.1376 106.235 3.1855 3.653877       4.471228 
1 1 1 8  31 11 o 98.198  2.0280 96.806   2.7964  98.108  3.0589 98.289  2.6635 -0.1810150     4.055934 
1 1 1 8  31 13 o 89.309  2.6560 79.487   3.0946  91.103  4.4855 87.515  2.8454 3.588058       5.311901 
1 1 1 8  31 15 o 77.059  2.9340 59.873   2.8910  77.087  5.0526 77.032  2.9840 0.5429840E-01  5.867945 
1 1 1 8  31 17 o 19.853  5.6451 2.1283   2.1692  23.756  9.2098 15.949  6.5307 7.806823       11.29023 
1 1 1 8  31 19 o 35.509  4.6477 12.871   2.1367  37.653  7.7269 33.365  5.1670 4.288208       9.295335 
1 1 1 8  31 21 o 54.908  3.2482 30.638   2.4099  55.408  5.3009 54.408  3.7554 0.9998055      6.496338 
1 1 1 8  31 23 o 15.301  4.9347 -1.8652  2.1044  18.216  8.0446 12.385  5.7175 5.830750       9.869353 
1 1 1 8  31 25 o 48.563  3.9363 24.263   2.2986  49.251  7.0007 47.876  3.6009 1.375420       7.872538 
1 1 1 8  31 27 o 26.048  5.8996 7.7170   2.4053  25.792  9.2841 26.305  7.2819 -0.5133991     11.79916 
1 1 1 8  31 29 o 20.828  6.0030 3.1074   2.6392  21.288  9.4164 20.368  7.4482 0.9199467      12.00605 
1 1 1 8  31 31 o 36.284  5.7036 16.506   2.5952  31.331  10.348 41.237  4.8000 -9.905642      11.40725 
1 1 1 8  31 33 o 23.469  5.8020 6.5848   2.2921  23.241  9.2255 23.697  7.0386 -0.4562416     11.60396 
1 1 1 8  31 35 f 16.432  5.2934 0.0342   2.4545  17.773  8.3040 15.091  6.5671 2.681685       10.58689 
1 1 1 8  31 37 o 12.729  4.3278 -3.9911  2.2626  12.046  5.8313 13.411  6.3965 -1.365005      8.655573 
1 1 1 8  32 0  o 53.719  5.9511 30.137   6.2573  53.719  5.9511 ?       ?      0.000000       0.000000 
1 1 1 8  32 2  o 63.321  3.6762 40.744   3.2113  62.322  5.8398 64.321  4.4671 -1.999332      7.352424 
1 1 1 8  32 4  o 93.523  2.3230 88.031   3.0595  94.942  3.0936 92.104  3.4662 2.837982       4.645962 
1 1 1 8  32 6  o 134.614 2.6709 182.615  5.0759  138.580 3.6399 130.647 3.9098 7.932266       5.341857 
1 1 1 8  32 8  o 111.207 2.3667 124.271  3.6637  111.349 3.6699 111.066 2.9894 0.2829590      4.733404 
1 1 1 8  32 10 o 106.967 2.1952 114.892  3.2186  107.219 3.5135 106.715 2.6326 0.5034866      4.390407 
1 1 1 8  32 12 o 65.464  2.5886 43.229   2.3906  65.393  3.8080 65.536  3.5074 -0.1427994     5.177157 
1 1 1 8  32 14 o 57.495  3.0821 33.509   2.3650  57.399  5.1171 57.591  3.4369 -0.1924744     6.164160 
1 1 1 8  32 16 o 74.223  2.7945 55.212   2.7016  75.642  4.7270 72.805  2.9818 2.837486       5.588936 
1 1 1 8  32 18 o 106.422 2.0965 114.548  3.0961  104.862 3.2881 107.982 2.6018 -3.119896      4.192916 
1 1 1 8  32 20 o 68.555  3.0111 47.304   2.8038  71.317  4.8347 65.792  3.5908 5.524361       6.022262 
1 1 1 8  32 22 o 18.386  5.6547 0.2432   2.4978  21.405  9.0833 15.367  6.7375 6.038342       11.30930 
1 1 1 8  32 24 o 23.231  5.9698 5.0186   2.3242  28.768  9.7150 17.694  6.9408 11.07369       11.93965 
1 1 1 8  32 26 o 21.838  6.0442 4.2978   2.5100  23.174  9.6020 20.501  7.3437 2.672556       12.08836 
1 1 1 8  32 28 o 34.167  5.4002 13.201   2.3944  37.396  8.6942 30.937  6.4077 6.459051       10.80034 
1 1 1 8  32 30 o 33.539  5.2643 13.309   2.3384  31.971  9.0045 35.107  5.4562 -3.136438      10.52853 
1 1 1 8  32 32 o 31.696  5.5906 12.804   2.3694  28.213  9.9596 35.179  5.0820 -6.966114      11.18126 
1 1 1 8  32 34 o 16.374  5.3702 -0.5240  2.5100  20.291  8.9952 12.458  5.8686 7.832539       10.74030 
1 1 1 8  32 36 o 26.489  5.3470 9.8785   2.3266  32.670  7.0415 20.308  8.0485 12.36198       10.69390 
1 1 1 8  33 1  o 44.836  3.8278 20.372   2.4196  47.432  5.3846 42.239  5.4419 5.192787       7.655593 
1 1 1 8  33 3  o 53.043  3.7496 28.380   2.6714  52.123  4.2875 53.963  6.1528 -1.839798      7.499252 
1 1 1 8  33 5  o 22.060  5.7197 4.0864   2.2986  22.159  7.3790 21.962  8.7412 0.1975231      11.43936 
1 1 1 8  33 7  o 41.007  5.2456 18.695   2.8238  32.981  9.0311 49.032  5.3391 -16.05039      10.49125 
1 1 1 8  33 9  o 33.616  5.7068 12.410   2.7043  29.994  8.9260 37.238  7.1132 -7.243801      11.41363 
1 1 1 8  33 11 o 90.363  2.5836 82.717   3.2855  87.334  3.8749 93.393  3.4184 -6.058311      5.167190 
1 1 1 8  33 13 o 70.631  3.1179 50.909   3.0885  68.536  4.7513 72.725  4.0387 -4.188850      6.235828 
1 1 1 8  33 15 o 62.915  2.9786 40.201   2.6402  64.015  4.3887 61.814  4.0285 2.201584       5.957283 
1 1 1 8  33 17 o 114.803 2.3296 133.480  3.7401  114.515 3.5685 115.090 2.9958 -0.5755997     4.659297 
1 1 1 8  33 19 o 77.516  2.7084 61.217   2.9687  78.447  3.8255 76.584  3.8352 1.862991       5.416881 
1 1 1 8  33 21 o 55.031  3.7875 31.970   2.9357  53.112  5.6503 56.951  5.0452 -3.839478      7.574926 
1 1 1 8  33 23 o 58.002  3.4324 34.603   2.6157  60.090  5.7379 55.913  3.7685 4.176979       6.864754 
1 1 1 8  33 25 o 34.980  6.0133 13.948   2.7545  39.528  9.6102 30.432  7.2308 9.095669       12.02664 
1 1 1 8  33 27 o 30.067  6.0953 11.461   2.7683  27.571  9.1373 32.564  8.0698 -4.993347      12.19066 
1 1 1 8  33 29 o 27.895  6.0149 10.022   2.6919  24.602  9.5699 31.188  7.2892 -6.585670      12.02982 
1 1 1 8  33 31 o 19.969  5.9345 3.2644   2.5846  20.837  9.4612 19.101  7.1667 1.736242       11.86909 
1 1 1 8  33 33 o 15.037  5.0249 -2.3351  2.5586  17.921  8.1685 12.153  5.8544 5.768332       10.04976 
1 1 1 8  34 0  o 61.500  5.3731 39.076   6.5127  61.500  5.3731 ?       ?      0.000000       0.000000 
1 1 1 8  34 2  o 115.505 2.2201 134.192  3.5598  116.209 3.4615 114.800 2.7809 1.409142       4.440217 
1 1 1 8  34 4  o 119.798 2.4714 145.255  4.1021  118.214 3.8889 121.383 3.0510 -3.168678      4.942863 
1 1 1 8  34 6  o 63.138  2.7364 40.269   2.3843  63.544  4.3207 62.732  3.3588 0.8115158      5.472701 
1 1 1 8  34 8  o 57.607  3.0973 33.624   2.5023  59.017  4.6522 56.198  4.0902 2.818333       6.194571 
1 1 1 8  34 10 o 69.461  2.6962 48.793   2.6402  71.562  3.9259 67.359  3.6968 4.202644       5.392487 
1 1 1 8  34 12 o 25.254  5.6155 6.3540   2.3349  30.883  8.2979 19.625  7.5683 11.25866       11.23100 
1 1 1 8  34 14 o 32.377  5.3411 11.626   2.3384  29.646  9.1838 35.108  5.4560 -5.461769      10.68230 
1 1 1 8  34 16 o 26.246  6.0658 7.2992   2.4621  27.618  9.6059 24.875  7.4097 2.742651       12.13169 
1 1 1 8  34 18 o 108.049 2.1777 118.476  3.2895  109.552 3.3221 106.547 2.8166 3.005745       4.355421 
1 1 1 8  34 20 o 83.279  2.6912 71.385   2.8733  82.706  4.6321 83.852  2.7413 -1.146004      5.382487 
1 1 1 8  34 22 o 33.759  5.3557 13.061   2.3762  33.017  9.1601 34.501  5.5520 -1.483829      10.71136 
1 1 1 8  34 24 o 28.821  5.3359 10.109   2.4720  22.091  8.9921 35.552  5.7472 -13.46043      10.67180 
1 1 1 8  34 26 o 25.196  6.0249 7.0427   2.2412  30.353  9.9000 20.039  6.8694 10.31373       12.04983 
1 1 1 8  34 28 f 28.229  6.3358 10.188   2.5818  29.352  10.553 27.105  7.0147 2.247149       12.67160 
1 1 1 8  34 30 o 39.518  5.5932 20.678   2.7692  34.067  10.022 44.970  4.9695 -10.90298      11.18647 
1 1 1 8  34 32 o 27.199  5.8187 10.831   2.5250  23.507  9.7097 30.891  6.4149 -7.384047      11.63736 
1 1 1 8  35 1  o 36.902  5.1951 15.131   2.6039  30.723  8.7315 43.081  5.6320 -12.35767      10.39026 
1 1 1 8  35 3  o 61.314  3.3621 38.389   2.8964  55.925  4.9094 66.703  4.5947 -10.77842      6.724116 
1 1 1 8  35 5  o 57.188  3.2732 33.551   2.5789  56.361  5.2113 58.014  3.9622 -1.653603      6.546466 
1 1 1 8  35 7  o 51.371  3.6767 28.006   2.5141  46.405  6.1917 56.337  3.9668 -9.932461      7.353429 
1 1 1 8  35 9  o 67.060  2.5921 45.700   2.4578  66.122  3.6694 67.998  3.6621 -1.875717      5.184181 
1 1 1 8  35 11 o 99.253  2.4317 99.349   3.2865  101.093 3.9159 97.413  2.8840 3.679764       4.863354 
1 1 1 8  35 13 o 28.244  6.2591 9.0094   2.7979  26.893  9.4959 29.595  8.1568 -2.701513      12.51814 
1 1 1 8  35 15 o 44.736  4.4176 21.295   2.6949  46.011  7.0774 43.462  5.2888 2.549168       8.835257 
1 1 1 8  35 17 o 56.270  3.1298 33.269   2.3658  54.115  5.1916 58.424  3.4972 -4.308903      6.259625 
1 1 1 8  35 19 o 63.590  3.0081 41.551   2.3936  64.603  5.2383 62.578  2.9590 2.024204       6.016239 
1 1 1 8  35 21 o 49.679  4.2843 26.525   2.8177  51.094  7.1230 48.263  4.7627 2.831566       8.568607 
1 1 1 8  35 23 o 50.576  4.4287 27.498   2.8200  52.618  7.6449 48.534  4.4730 4.083668       8.857346 
1 1 1 8  35 25 f 59.834  3.4308 37.863   2.5642  60.873  5.9788 58.795  3.3666 2.077774       6.861510 
1 1 1 8  35 27 o 49.049  4.4288 27.502   2.6859  47.326  7.8251 50.771  4.1501 -3.444767      8.857521 
1 1 1 8  35 29 o 25.393  6.2018 8.9631   2.5480  27.965  9.7862 22.820  7.6210 5.145535       12.40361 
1 1 1 8  35 31 o 18.458  5.9087 2.6772   2.7444  20.150  9.6034 16.766  6.8865 3.383894       11.81733 
1 1 1 8  36 0  o 49.199  5.9870 25.796   5.7465  49.199  5.9870 ?       ?      0.000000       0.000000 
1 1 1 8  36 2  o 48.911  3.9643 24.722   2.7218  46.419  5.3645 51.402  5.8383 -4.982399      7.928629 
1 1 1 8  36 4  o 25.476  5.5131 6.4310   2.3735  18.472  7.5000 32.480  8.0825 -14.00775      11.02619 
1 1 1 8  36 6  o 77.465  2.9501 61.561   3.2241  73.899  4.3201 81.032  4.0186 -7.133102      5.900239 
1 1 1 8  36 8  o 65.306  3.3233 44.230   3.0635  62.325  4.8150 68.286  4.5817 -5.961395      6.646547 
1 1 1 8  36 10 o 25.102  5.9977 6.8133   2.6116  29.045  8.7421 21.160  8.2137 7.885040       11.99535 
1 1 1 8  36 12 o 17.228  5.3857 -0.8027  2.6270  16.619  7.7087 17.836  7.5233 -1.217220      10.77140 
1 1 1 8  36 14 o 42.447  4.8711 20.368   2.7683  37.982  7.9855 46.912  5.5804 -8.929989      9.742147 
1 1 1 8  36 16 o 67.443  3.5345 48.011   3.2208  67.349  5.7831 67.537  4.0653 -0.1881256     7.069004 
1 1 1 8  36 18 o 53.427  3.5581 31.082   2.4519  49.857  6.1473 56.997  3.5847 -7.140789      7.116136 
1 1 1 8  36 20 o 86.072  2.8496 77.288   3.3083  86.127  4.6705 86.016  3.2662 0.1111679      5.699252 
1 1 1 8  36 22 o 62.814  4.0328 43.707   3.1985  60.777  7.0388 64.851  3.9383 -4.074486      8.065681 
1 1 1 8  36 24 o 36.302  5.7317 18.082   2.6532  28.154  10.563 44.450  4.4530 -16.29542      11.46347 
1 1 1 8  36 26 o 22.010  5.8578 5.6293   2.6583  19.737  9.1627 24.283  7.3006 -4.545404      11.71558 
1 1 1 8  36 28 o 16.394  5.3632 0.0730   2.3397  21.083  9.1908 11.705  5.5305 9.378061       10.72646 
1 1 1 8  37 1  o 38.403  5.0715 16.575   2.6033  36.572  8.3809 40.233  5.7132 -3.661201      10.14297 
1 1 1 8  37 3  f 30.287  5.7676 10.797   2.5476  32.448  7.6025 28.126  8.6753 4.322760       11.53515 
1 1 1 8  37 5  o 53.583  3.7934 30.316   2.8605  54.449  5.6288 52.718  5.0869 1.730312       7.586850 
1 1 1 8  37 7  o 64.615  3.0864 43.259   2.7731  65.414  4.7829 63.816  3.9021 1.597176       6.172726 
1 1 1 8  37 9  o 26.513  5.8084 8.2285   2.4099  25.033  9.0809 27.994  7.2448 -2.960960      11.61677 
1 1 1 8  37 11 o 23.126  6.0481 5.6927   2.5848  23.491  9.1136 22.762  7.9538 0.7289448      12.09630 
1 1 1 8  37 13 o 22.402  5.9792 4.9940   2.5586  22.117  9.1164 22.688  7.7392 -0.5705605     11.95846 
1 1 1 8  37 15 o 25.877  6.3813 7.9813   2.7314  29.363  9.9913 22.392  7.9409 6.971134       12.76259 
1 1 1 8  37 17 o 25.221  6.0869 7.6236   2.5109  25.782  9.5375 24.660  7.5656 1.122114       12.17379 
1 1 1 8  37 19 o 65.682  3.1342 45.759   2.7119  65.357  5.2755 66.007  3.3856 -0.6504669     6.268488 
1 1 1 8  37 21 o 83.586  2.5537 72.676   2.8451  84.439  4.2346 82.733  2.8555 1.706535       5.107409 
1 1 1 8  37 23 o 40.841  5.7006 22.561   2.7879  33.799  10.461 47.883  4.5338 -14.08344      11.40128 
1 1 1 8  37 25 o 18.904  5.7766 2.4630   2.9207  17.938  8.5526 19.870  7.7671 -1.932011      11.55315 
1 1 1 8  38 0  o 70.480  4.0133 51.080   5.6188  70.480  4.0133 ?       ?      0.000000       0.000000 
1 1 1 8  38 2  o 50.216  4.1024 27.234   2.9020  49.070  6.1157 51.363  5.4698 -2.292828      8.204873 
1 1 1 8  38 4  o 34.088  5.7095 13.786   2.7133  33.422  8.0974 34.754  8.0514 -1.332031      11.41899 
1 1 1 8  38 6  o 35.351  5.2471 15.494   2.4973  26.944  9.3242 43.757  4.8154 -16.81211      10.49422 
1 1 1 8  38 8  o 20.234  5.7085 3.5524   2.4379  20.927  8.4015 19.541  7.7306 1.386631       11.41693 
1 1 1 8  38 10 o 22.297  5.6608 5.5284   2.2827  24.879  8.4134 19.716  7.5759 5.163038       11.32165 
1 1 1 8  38 12 o 31.513  6.3273 11.706   2.6392  35.779  10.429 27.247  7.1678 8.531931       12.65468 
1 1 1 8  38 14 o 21.332  5.9252 4.2361   2.7478  19.101  8.3792 23.564  8.3798 -4.463299      11.85045 
1 1 1 8  38 16 o 21.044  6.1840 4.0004   2.7951  22.322  9.7718 19.766  7.5815 2.555536       12.36797 
1 1 1 8  38 18 o 43.514  4.8304 22.274   2.7807  42.249  7.9983 44.780  5.4184 -2.530064      9.660787 
1 1 1 8  38 20 f 38.913  4.9781 17.980   2.6051  44.621  7.2979 33.204  6.7727 11.41678       9.956298 
1 1 1 8  38 22 o 15.512  5.0643 -0.9030  2.4978  16.022  7.6448 15.002  6.6443 1.019857       10.12861 
1 1 1 8  38 24 o 16.526  5.3203 -0.5493  2.9275  14.635  7.1201 18.417  7.9075 -3.782762      10.64068 
1 1 1 8  39 1  o 74.939  2.8341 58.732   2.9955  74.963  4.1736 74.915  3.8354 0.4787445E-01  5.668273 
1 1 1 8  39 3  o 59.006  3.3920 37.075   2.7731  58.735  5.3268 59.277  4.2009 -0.5422096     6.783979 
1 1 1 8  39 5  o 45.911  4.4101 23.613   2.7862  43.307  7.0770 48.516  5.2643 -5.209419      8.820239 
1 1 1 8  39 7  o 22.102  6.3203 4.5334   3.1287  19.961  8.6089 24.243  9.2558 -4.282043      12.64053 
1 1 1 8  39 9  o 17.843  5.6200 0.2284   2.8676  17.554  7.9531 18.132  7.9428 -0.5785122     11.24008 
1 1 1 8  39 11 o 18.329  5.5103 1.4225   2.5659  17.457  8.1276 19.201  7.4428 -1.743673      11.02063 
1 1 1 8  39 13 o 30.370  6.3998 12.310   2.8698  31.269  9.9752 29.470  8.0203 1.798792       12.79958 
1 1 1 8  39 15 o 43.321  5.1354 22.645   2.9922  42.241  8.3074 44.402  6.0397 -2.161083      10.27085 
1 1 1 8  39 17 o 45.959  5.3505 26.791   2.8200  41.807  9.7849 50.112  4.3322 -8.304058      10.70100 
1 1 1 8  39 19 o 51.481  4.7807 32.843   3.0891  46.811  8.3477 56.151  4.6622 -9.339802      9.561384 
1 1 1 8  39 21 o 45.640  4.8259 26.105   3.0411  46.211  7.5995 45.068  5.9503 1.142284       9.651868 
1 1 1 8  40 0  o 69.036  4.3833 49.803   6.0019  69.036  4.3833 ?       ?      0.000000       0.000000 
1 1 1 8  40 2  f 55.834  4.1820 35.007   3.2731  55.144  6.3684 56.525  5.4221 -1.380836      8.363947 
1 1 1 8  40 4  o 60.427  4.0340 41.056   3.3841  53.718  6.2997 67.137  5.0405 -13.41942      8.068073 
1 1 1 8  40 6  o 24.697  6.4278 7.9024   2.9605  26.341  9.3904 23.054  8.7799 3.287512       12.85555 
1 1 1 8  40 8  o 23.532  5.6013 5.9989   2.6832  17.265  7.8619 29.798  7.9805 -12.53328      11.20262 
1 1 1 8  40 10 o 22.289  6.1600 6.0281   2.7731  23.395  9.1809 21.182  8.2155 2.212870       12.32003 
1 1 1 8  40 12 o 21.760  6.2668 5.8057   2.7503  24.110  10.004 19.409  7.5511 4.701372       12.53361 
1 1 1 8  40 14 o 18.841  5.8882 2.5540   3.0169  20.119  8.8562 17.564  7.7622 2.554501       11.77643 
1 1 1 8  40 16 o 23.977  6.3830 8.7361   2.9358  23.565  9.6060 24.388  8.4081 -0.8230877     12.76597 
1 1 1 8  40 18 f 39.593  5.9158 24.877   3.1293  27.489  10.861 51.697  4.6933 -24.20847      11.83156 
1 1 1 8  41 1  f 36.759  5.7868 17.984   2.9316  38.919  8.1386 34.600  8.2287 4.319420       11.57360 
1 1 1 8  41 3  o 33.426  6.5039 16.372   3.1762  31.049  10.348 35.803  7.8815 -4.753475      13.00778 
1 1 1 8  41 5  o 19.761  5.9746 3.5317   3.0529  21.364  8.6467 18.158  8.2474 3.206228       11.94928 
1 1 1 8  41 7  o 28.045  6.7159 12.154   3.2508  25.794  9.9469 30.297  9.0263 -4.503517      13.43189 
1 1 1 8  41 9  o 33.503  5.8399 15.877   2.8123  28.550  9.4305 38.457  6.8908 -9.906242      11.67985 
1 1 1 8  41 11 o 24.851  6.6118 9.7195   3.3900  21.611  9.4635 28.091  9.2361 -6.479822      13.22359 
1 1 1 8  41 13 o 17.214  5.6592 0.1981   2.9085  21.337  9.4302 13.091  6.2592 8.246576       11.31841 
1 1 1 8  42 0  o 10.647  7.3603 -1.5324  4.9803  10.647  7.3603 ?       ?      0.000000       0.000000 
1 1 1 8  42 2  o 19.382  5.9909 3.9271   3.0569  20.739  8.9920 18.025  7.9189 2.714165       11.98190 
1 1 1 8  42 4  o 20.090  6.0540 4.9924   2.9922  20.652  8.9306 19.527  8.1760 1.124290       12.10792 
1 1 1 8  42 6  o 23.121  6.3653 8.3229   3.0016  22.600  9.4964 23.642  8.4786 -1.041592      12.73061 
1 1 1 9  1  0  o 163.645 1.9515 267.917  6.3850  163.645 1.9515 ?       ?      0.000000       0.000000 
1 1 1 9  1  2  o 774.445 4.7307 5998.10  51.767  765.297 6.5661 783.594 6.8121 -18.29749      9.461410 
1 1 1 9  1  4  o 382.835 2.4766 1465.89  13.408  381.359 3.4993 384.311 3.5056 -2.951324      4.953192 
1 1 1 9  1  6  o 296.560 2.1101 878.127  8.8017  300.658 3.1431 292.462 2.8163 8.196198       4.220258 
1 1 1 9  1  8  o 434.528 2.8161 1888.92  17.303  429.591 4.0130 439.464 3.9519 -9.873291      5.632243 
1 1 1 9  1  10 o 453.097 3.2205 2057.13  20.574  461.932 4.3264 444.262 4.7716 17.67053       6.440971 
1 1 1 9  1  12 o 579.145 3.7472 3352.19  29.832  577.148 4.5359 581.142 5.9660 -3.993774      7.494466 
1 1 1 9  1  14 f 539.827 3.3945 2914.11  25.351  539.240 4.1916 540.413 5.3404 -1.172241      6.788976 
1 1 1 9  1  16 o 486.857 3.1330 2371.00  21.221  487.032 3.9461 486.682 4.8674 0.3505249      6.266034 
1 1 1 9  1  18 o 481.552 3.1065 2311.11  20.560  475.286 3.7750 487.818 4.9345 -12.53265      6.212911 
1 1 1 9  1  20 o 640.012 3.9396 4100.81  34.840  641.406 4.8380 638.618 6.2189 2.788513       7.879150 
1 1 1 9  1  22 o 510.093 3.2408 2601.55  22.738  508.612 3.9294 511.575 5.1547 -2.963043      6.481589 
1 1 1 9  1  24 o 126.230 1.5975 159.442  2.5317  126.337 1.5667 126.122 2.7844 0.2152252      3.194945 
1 1 1 9  1  26 o 211.648 1.8082 450.428  5.0306  214.182 1.9377 209.114 3.0534 5.067505       3.616343 
1 1 1 9  1  28 o 99.493  1.5454 99.336   2.0813  100.429 1.7802 98.557  2.5266 1.872353       3.090778 
1 1 1 9  1  30 o 258.167 2.4627 664.363  7.5911  256.534 2.2152 259.801 4.3992 -3.267334      4.925468 
1 1 1 9  1  32 o 157.076 1.7969 247.763  3.4318  157.981 1.6571 156.170 3.1890 1.810623       3.593867 
1 1 1 9  1  34 o 71.843  1.5605 51.479   1.5116  71.186  1.7939 72.501  2.5540 -1.315117      3.121062 
1 1 1 9  1  36 o 83.400  1.8868 69.715   1.9670  83.548  1.8342 83.252  3.2979 0.2955399      3.773621 
1 1 1 9  1  38 o 61.253  2.0123 37.771   1.7027  62.465  2.4532 60.041  3.1904 2.424103       4.024516 
1 1 1 9  1  40 o 101.412 1.8195 102.319  2.3083  100.127 1.7856 102.697 3.1709 -2.570557      3.639026 
1 1 1 9  1  42 o 27.566  4.0458 8.1888   1.5085  31.632  4.2390 23.501  6.8925 8.130592       8.091697 
1 1 1 9  1  44 f 41.350  3.2959 18.107   1.8057  47.192  3.5178 35.507  5.5746 11.68537       6.591720 
1 1 1 9  1  46 o 88.184  1.9324 78.105   2.2520  87.537  2.1153 88.831  3.2346 -1.293098      3.864809 
1 1 1 9  1  48 o 11.909  3.9767 -4.2309  1.7585  11.926  5.3641 11.892  5.8722 0.3334522E-01  7.953372 
1 1 1 9  1  50 o 29.961  5.2912 10.131   2.0432  30.471  5.0291 29.452  9.3110 1.019125       10.58239 
1 1 1 9  1  52 f 28.735  4.6817 10.061   1.8841  33.777  4.7258 23.692  8.0833 10.08576       9.363416 
1 1 1 9  1  54 o 16.791  4.9220 1.8923   2.0123  18.075  6.7851 15.507  7.1320 2.567790       9.843924 
1 1 1 9  2  1  o 190.298 1.5186 362.152  4.0854  190.432 2.1794 190.164 2.1153 0.2680054      3.037160 
1 1 1 9  2  3  o 319.001 2.1868 1017.36  9.8565  321.592 3.1569 316.410 3.0269 5.181244       4.373580 
1 1 1 9  2  5  o 817.574 6.4974 6693.62  74.135  817.060 8.2914 818.089 10.006 -1.029419      12.99471 
1 1 1 9  2  7  o 314.569 2.2255 989.774  9.8902  314.394 3.2291 314.743 3.0633 -0.3485413     4.450947 
1 1 1 9  2  9  o 336.401 2.3651 1126.24  10.908  330.551 2.8588 342.252 3.7685 -11.70093      4.730175 
1 1 1 9  2  11 o 397.976 2.7095 1584.66  14.906  398.405 3.3335 397.546 4.2723 0.8590088      5.418906 
1 1 1 9  2  13 o 419.558 3.6897 1761.38  21.738  420.481 4.8441 418.636 5.5670 1.844299       7.379440 
1 1 1 9  2  15 o 597.059 3.7478 3571.85  31.154  602.007 4.7198 592.111 5.8231 9.896362       7.495662 
1 1 1 9  2  17 o 196.894 1.5869 387.839  4.3825  197.382 2.0703 196.407 2.4057 0.9746094      3.173885 
1 1 1 9  2  19 o 636.677 4.5370 4043.74  37.460  632.601 4.7640 640.754 7.7228 -8.152893      9.074014 
1 1 1 9  2  21 o 600.816 3.7040 3618.79  30.935  606.011 4.6359 595.620 5.7781 10.39069       7.407966 
1 1 1 9  2  23 o 566.034 3.5357 3212.46  27.876  571.245 4.4598 560.822 5.4876 10.42316       7.071344 
1 1 1 9  2  25 f 140.947 1.5027 198.606  2.7196  140.818 1.5416 141.076 2.5798 -0.2575531     3.005338 
1 1 1 9  2  27 o 43.808  2.5303 19.379   1.4898  44.907  2.8437 42.709  4.1860 2.197632       5.060543 
1 1 1 9  2  29 f 232.186 2.1298 536.076  6.2260  229.553 2.1140 234.819 3.6980 -5.265732      4.259602 
1 1 1 9  2  31 o 44.458  2.4979 19.666   1.4366  43.897  2.6182 45.019  4.2549 -1.122292      4.995881 
1 1 1 9  2  33 o 298.556 2.5877 895.462  9.9028  300.358 2.6360 296.753 4.4539 3.604553       5.175483 
1 1 1 9  2  35 o 101.868 1.7777 105.114  2.3086  104.215 1.7768 99.520  3.0796 4.694527       3.555389 
1 1 1 9  2  37 o 82.824  1.9528 68.868   1.9437  83.169  1.7658 82.478  3.4837 0.6905670      3.905615 
1 1 1 9  2  39 o 27.500  3.7669 7.6853   1.3002  27.153  3.7625 27.847  6.5270 -0.6944962     7.533769 
1 1 1 9  2  41 o 65.928  1.9100 43.641   1.7089  66.108  2.2214 65.748  3.1077 0.3603668      3.819989 
1 1 1 9  2  43 o 36.931  3.8906 15.069   1.7057  42.150  3.3326 31.712  7.0315 10.43780       7.781289 
1 1 1 9  2  45 o 50.941  2.5088 26.252   1.7513  51.084  2.9998 50.798  4.0222 0.2859459      5.017649 
1 1 1 9  2  47 o 29.579  4.5848 10.275   2.0157  38.978  4.4229 20.180  8.0325 18.79801       9.169667 
1 1 1 9  2  49 o 19.457  5.4089 2.8809   1.9308  18.675  6.1737 20.240  8.8832 -1.565063      10.81788 
1 1 1 9  2  51 o 22.461  5.1496 5.7465   1.8973  24.241  6.2744 20.682  8.1672 3.559206       10.29913 
1 1 1 9  2  53 o 26.133  5.4025 8.5874   2.0691  27.097  6.2498 25.170  8.8141 1.927149       10.80498 
1 1 1 9  2  55 o 18.997  5.3591 4.0554   2.3003  20.872  7.4662 17.122  7.6899 3.749880       10.71814 
1 1 1 9  3  0  o 133.057 1.5841 177.121  4.2141  133.057 1.5841 ?       ?      0.000000       0.000000 
1 1 1 9  3  2  o 171.016 1.5198 292.738  3.6711  174.768 2.0825 167.263 2.2141 7.504776       3.039532 
1 1 1 9  3  4  o 411.385 2.7777 1691.46  15.636  410.261 3.3150 412.509 4.4578 -2.247650      5.555304 
1 1 1 9  3  6  o 445.338 2.9342 1975.04  17.854  438.804 3.5068 451.872 4.7054 -13.06836      5.868387 
1 1 1 9  3  8  o 362.884 2.4536 1314.78  12.217  360.515 2.9577 365.252 3.9158 -4.737122      4.907289 
1 1 1 9  3  10 o 460.003 3.0983 2113.04  19.572  457.066 3.7439 462.941 4.9377 -5.875153      6.196536 
1 1 1 9  3  12 o 332.871 2.2464 1109.20  10.283  334.009 2.7145 331.734 3.5800 2.274658       4.492804 
1 1 1 9  3  14 o 560.222 3.5140 3139.49  27.838  558.409 5.0083 562.034 4.9305 -3.625916      7.027970 
1 1 1 9  3  16 o 296.651 2.0555 880.237  8.6156  295.725 2.9796 297.577 2.8323 -1.852295      4.110933 
1 1 1 9  3  18 o 647.687 3.9422 4197.07  36.106  646.241 5.6219 649.133 5.5280 -2.892151      7.884424 
1 1 1 9  3  20 o 483.340 2.9939 2337.08  20.464  482.692 4.2594 483.989 4.2084 -1.296265      5.987772 
1 1 1 9  3  22 o 371.237 2.4816 1378.97  13.024  368.707 3.5674 373.767 3.4508 -5.059601      4.963260 
1 1 1 9  3  24 o 175.388 1.4415 307.582  3.5745  177.190 2.0540 173.587 2.0231 3.603043       2.883001 
1 1 1 9  3  26 o 225.696 1.7649 510.022  5.6007  227.384 2.3307 224.009 2.6508 3.375290       3.529726 
1 1 1 9  3  28 o 92.168  1.5886 85.827   2.0352  97.262  1.9694 87.074  2.4932 10.18800       3.177224 
1 1 1 9  3  30 o 162.729 1.7365 264.285  3.9597  160.089 2.2734 165.368 2.6255 -5.279160      3.473020 
1 1 1 9  3  32 o 100.507 1.5646 101.184  2.1654  100.927 1.8979 100.087 2.4880 0.8403168      3.129254 
1 1 1 9  3  34 o 26.837  3.6767 7.6560   1.3378  31.724  4.0254 21.949  6.1537 9.774324       7.353335 
1 1 1 9  3  36 o 83.526  1.5991 69.993   1.8830  86.241  2.1471 80.811  2.3704 5.430611       3.198215 
1 1 1 9  3  38 o 43.052  2.5811 18.948   1.5218  46.401  3.0273 39.704  4.1812 6.697292       5.162113 
1 1 1 9  3  40 f 33.378  3.3064 10.985   1.5116  30.847  4.1399 35.909  5.1566 -5.061930      6.612798 
1 1 1 9  3  42 o 49.526  2.4928 25.068   1.6432  51.698  2.7172 47.353  4.1800 4.344597       4.985511 
1 1 1 9  3  44 o 56.227  2.7665 32.493   1.8978  57.925  2.5353 54.528  4.9181 3.397484       5.533085 
1 1 1 9  3  46 f 44.837  2.9334 20.640   1.6761  45.680  2.9353 43.994  5.0797 1.685829       5.866783 
1 1 1 9  3  48 o 18.476  5.1644 2.2844   1.9256  14.696  6.2374 22.257  8.2328 -7.561417      10.32883 
1 1 1 9  3  50 f 20.101  5.0545 4.1211   1.7618  20.326  6.2806 19.875  7.9213 0.4513340      10.10907 
1 1 1 9  3  52 o 34.481  4.8471 13.650   2.1851  33.419  5.3497 35.542  8.0846 -2.122852      9.694293 
1 1 1 9  3  54 o 17.101  5.1698 2.2530   1.9721  15.368  6.1974 18.834  8.2766 -3.466043      10.33969 
1 1 1 9  4  1  o 514.327 4.1598 2632.58  29.488  503.851 5.1197 524.803 6.5578 -20.95242      8.319589 
1 1 1 9  4  3  o 813.266 7.0668 6610.79  81.078  788.135 9.7623 838.398 10.220 -50.26270      14.13356 
1 1 1 9  4  5  o 861.118 7.3478 7429.75  89.449  852.175 10.287 870.061 10.494 -17.88660      14.69556 
1 1 1 9  4  7  o 258.244 1.8654 668.318  6.6090  260.042 2.2344 256.445 2.9878 3.596985       3.730877 
1 1 1 9  4  9  o 737.716 4.3697 5446.52  45.585  733.853 6.1514 741.578 6.2079 -7.725281      8.739415 
1 1 1 9  4  11 f 400.560 2.6092 1602.87  14.751  406.981 3.7967 394.140 3.5802 12.84103       5.218490 
1 1 1 9  4  13 o 334.068 2.7684 1112.16  12.247  331.185 3.0461 336.952 4.6237 -5.767029      5.536898 
1 1 1 9  4  15 o 499.702 3.1172 2497.58  22.028  499.523 4.4227 499.881 4.3940 -0.3583984     6.234334 
1 1 1 9  4  17 o 478.064 3.2193 2289.71  21.672  470.346 4.8056 485.783 4.2849 -15.43701      6.438506 
1 1 1 9  4  19 o 754.070 4.5269 5691.06  48.271  758.982 6.3431 749.157 6.4604 9.825378       9.053857 
1 1 1 9  4  21 o 331.593 2.2806 1099.81  10.694  330.323 3.2087 332.863 3.2418 -2.539978      4.561263 
1 1 1 9  4  23 o 241.716 1.8773 584.445  6.4168  240.831 2.6778 242.601 2.6319 -1.770462      3.754649 
1 1 1 9  4  25 o 161.528 1.4534 260.878  3.3190  159.236 2.0450 163.820 2.0657 -4.584061      2.906757 
1 1 1 9  4  27 o 318.525 2.2627 1011.14  9.9916  312.980 2.8357 324.070 3.5268 -11.08972      4.525421 
1 1 1 9  4  29 o 216.484 1.7832 466.972  5.3191  213.110 2.1872 219.858 2.8170 -6.747955      3.566437 
1 1 1 9  4  31 o 194.305 2.1189 379.958  5.2677  196.433 2.1453 192.177 3.6547 4.256058       4.237865 
1 1 1 9  4  33 o 41.707  2.6609 18.267   1.4241  46.159  2.6282 37.255  4.6275 8.903740       5.321768 
1 1 1 9  4  35 o 72.951  1.7023 53.265   1.7553  71.071  2.4257 74.831  2.3891 -3.760529      3.404693 
1 1 1 9  4  37 o 70.347  1.6829 49.636   1.6380  70.901  2.0713 69.793  2.6531 1.107750       3.365846 
1 1 1 9  4  39 o 80.470  1.7659 64.584   1.9986  77.230  2.3976 83.709  2.5934 -6.478790      3.531883 
1 1 1 9  4  41 o 40.230  2.9114 16.122   1.6380  37.173  3.9507 43.288  4.2775 -6.115448      5.822807 
1 1 1 9  4  43 o 13.464  4.1806 -0.7024  1.5324  13.267  5.8648 13.661  5.9593 -0.3938971     8.361223 
1 1 1 9  4  45 o 44.207  3.4927 20.534   1.9921  47.134  3.5221 41.279  6.0325 5.855042       6.985461 
1 1 1 9  4  47 o 30.625  4.4622 9.9477   1.7921  30.253  4.8543 30.997  7.4886 -0.7439270     8.924338 
1 1 1 9  4  49 o 20.358  5.0852 3.9332   1.8964  16.095  6.6335 24.621  7.7092 -8.526354      10.17030 
1 1 1 9  4  51 o 15.970  4.7903 1.1277   1.7921  14.905  6.1293 17.035  7.3634 -2.129881      9.580646 
1 1 1 9  4  53 o 25.010  6.1548 7.9813   2.4135  24.547  6.7961 25.474  10.263 -0.9262600     12.30961 
1 1 1 9  4  55 o 18.996  5.8348 3.8210   2.1781  15.265  6.1802 22.727  9.8988 -7.462590      11.66964 
1 1 1 9  5  0  o 205.910 3.2578 424.350  13.409  205.910 3.2578 ?       ?      0.000000       0.000000 
1 1 1 9  5  2  o 482.130 5.5233 2295.42  28.923  474.289 4.2945 489.971 10.178 -15.68204      11.04652 
1 1 1 9  5  4  o 334.153 2.4694 1118.64  11.561  337.599 3.1963 330.707 3.7649 6.891663       4.938727 
1 1 1 9  5  6  o 268.441 1.9175 720.674  7.2767  267.705 2.6713 269.178 2.7516 -1.473022      3.834994 
1 1 1 9  5  8  o 129.371 2.1252 164.706  3.1092  126.642 1.7646 132.101 3.8668 -5.459625      4.250385 
1 1 1 9  5  10 o 379.520 2.4684 1440.30  13.245  382.800 3.5194 376.241 3.4620 6.559113       4.936802 
1 1 1 9  5  12 o 693.750 4.2367 4814.25  41.557  697.414 6.0517 690.087 5.9309 7.326477       8.473362 
1 1 1 9  5  14 o 336.005 2.3111 1128.90  10.979  338.522 3.3008 333.488 3.2357 5.034332       4.622220 
1 1 1 9  5  16 f 374.909 2.4930 1405.27  13.206  377.615 3.6016 372.203 3.4481 5.412506       4.986066 
1 1 1 9  5  18 o 642.566 3.8506 4130.80  34.983  643.928 5.5132 641.205 5.3773 2.722900       7.701299 
1 1 1 9  5  20 o 204.894 1.6200 419.720  4.6876  206.046 2.3551 203.742 2.2251 2.304260       3.239989 
1 1 1 9  5  22 o 124.114 1.4181 153.731  2.4836  127.791 2.0485 120.436 1.9616 7.354904       2.836262 
1 1 1 9  5  24 o 101.880 1.2633 103.397  1.8057  104.605 1.8922 99.155  1.6743 5.449913       2.526591 
1 1 1 9  5  26 o 130.419 1.5593 170.245  2.8719  128.974 2.2773 131.864 2.1305 -2.890198      3.118542 
1 1 1 9  5  28 o 138.241 1.4135 191.124  2.7084  138.107 1.7568 138.374 2.2149 -0.2667236     2.827039 
1 1 1 9  5  30 o 89.110  1.7305 79.727   2.1690  92.336  2.2820 85.884  2.6021 6.452019       3.460953 
1 1 1 9  5  32 f 108.690 1.4925 119.574  2.1691  112.078 1.6521 105.303 2.4860 6.775330       2.984944 
1 1 1 9  5  34 o 12.823  4.0480 -1.2689  1.4944  12.461  5.5507 13.185  5.8938 -0.7236509     8.096100 
1 1 1 9  5  36 o 109.507 1.5102 119.904  2.3091  108.876 1.9353 110.138 2.3189 -1.262482      3.020386 
1 1 1 9  5  38 o 109.815 1.4461 120.889  2.2183  110.611 1.8472 109.019 2.2256 1.591721       2.892299 
1 1 1 9  5  40 o 38.056  3.2369 15.113   1.6577  43.940  3.6328 32.173  5.3584 11.76708       6.473808 
1 1 1 9  5  42 o 70.366  2.0307 49.864   2.0067  72.239  2.6516 68.493  3.0763 3.746124       4.061398 
1 1 1 9  5  44 o 59.441  2.0107 35.315   1.6770  62.199  2.9770 56.683  2.7035 5.516529       4.021345 
1 1 1 9  5  46 o 22.455  5.0880 5.2578   1.7966  22.329  6.4822 22.581  7.8443 -0.2521629     10.17602 
1 1 1 9  5  48 o 41.863  3.1579 18.528   1.8192  47.001  3.8038 36.726  5.0418 10.27451       6.315764 
1 1 1 9  5  50 o 36.623  5.1375 16.627   2.0364  42.178  3.4818 31.069  9.6672 11.10921       10.27508 
1 1 1 9  5  52 o 22.295  5.5448 5.7465   2.0507  19.163  6.8394 25.426  8.7294 -6.262989      11.08957 
1 1 1 9  5  54 o 24.945  5.9719 7.9375   2.0032  22.692  5.8672 27.197  10.403 -4.505192      11.94384 
1 1 1 9  6  1  o 488.143 4.0275 2375.96  25.790  484.264 4.3379 492.021 6.7871 -7.756897      8.054900 
1 1 1 9  6  3  o 357.650 3.0375 1282.21  15.317  367.722 4.0805 347.578 4.5007 20.14450       6.075070 
1 1 1 9  6  5  f 319.173 2.5878 1027.77  10.828  325.376 2.7473 312.970 4.3863 12.40613       5.175663 
1 1 1 9  6  7  o 174.716 1.5553 304.048  3.6808  172.636 1.8123 176.796 2.5281 -4.159760      3.110557 
1 1 1 9  6  9  o 568.689 3.6862 3233.34  28.687  567.526 4.3990 569.852 5.9161 -2.325623      7.372358 
1 1 1 9  6  11 o 500.496 3.4566 2491.17  23.973  512.674 5.3803 488.318 4.3411 24.35599       6.913226 
1 1 1 9  6  13 o 786.492 4.6614 6188.75  51.846  790.185 6.5775 782.799 6.6069 7.385864       9.322796 
1 1 1 9  6  15 o 340.875 4.0030 1150.93  16.172  345.788 7.1645 335.962 3.5730 9.825897       8.006026 
1 1 1 9  6  17 o 716.611 4.2594 5137.94  43.149  718.038 6.1179 715.183 5.9281 2.854309       8.518885 
1 1 1 9  6  19 o 364.070 2.4743 1323.13  12.688  371.009 3.6485 357.131 3.3433 13.87808       4.948677 
1 1 1 9  6  21 o 176.297 1.4520 311.319  3.5937  174.322 2.1977 178.272 1.8983 -3.950714      2.903996 
1 1 1 9  6  23 o 220.219 1.7020 485.136  5.2996  217.812 2.4331 222.625 2.3805 -4.812988      3.403927 
1 1 1 9  6  25 o 422.776 2.7776 1789.08  16.592  421.854 4.0261 423.698 3.8277 -1.843719      5.555259 
1 1 1 9  6  27 o 121.497 1.7881 147.777  2.9573  121.251 2.8963 121.742 2.0979 -0.4910431     3.576256 
1 1 1 9  6  29 o 130.909 1.4913 172.420  2.6502  133.210 1.7256 128.608 2.4327 4.602478       2.982562 
1 1 1 9  6  31 o 84.694  1.6297 71.900   1.9469  87.145  2.1981 82.243  2.4067 4.901932       3.259436 
1 1 1 9  6  33 f 168.961 1.6533 286.262  3.8954  170.730 2.0943 167.193 2.5587 3.537598       3.306536 
1 1 1 9  6  35 o 100.041 1.5339 100.297  2.0813  100.408 1.7806 99.675  2.4983 0.7332840      3.067875 
1 1 1 9  6  37 o 71.424  1.6131 51.020   1.6226  72.134  2.3900 70.713  2.1671 1.420158       3.226157 
1 1 1 9  6  39 o 191.321 1.8110 365.890  4.7317  189.640 2.1548 193.002 2.9113 -3.361984      3.622003 
1 1 1 9  6  41 o 38.649  3.0098 14.979   1.5775  38.045  3.5244 39.253  4.8799 -1.208515      6.019568 
1 1 1 9  6  43 f 37.384  3.5851 14.338   1.7966  38.267  4.0046 36.501  5.9476 1.766006       7.170105 
1 1 1 9  6  45 o 34.780  3.9566 12.383   1.7921  33.195  4.4241 36.365  6.5609 -3.169952      7.913163 
1 1 1 9  6  47 o 25.551  5.4285 6.7929   1.9670  20.714  6.5875 30.388  8.6302 -9.673744      10.85706 
1 1 1 9  6  49 f 14.106  4.4073 -0.3358  1.6648  13.094  5.7090 15.117  6.7160 -2.022959      8.814616 
1 1 1 9  6  51 o 21.457  5.3840 5.2200   2.0511  21.921  7.2550 20.992  7.9571 0.9296875      10.76806 
1 1 1 9  6  53 o 16.934  5.2393 1.5639   2.1727  14.258  6.2695 19.610  8.3962 -5.351820      10.47869 
1 1 1 9  7  0  o 206.994 2.5303 428.692  10.471  206.994 2.5303 ?       ?      0.000000       0.000000 
1 1 1 9  7  2  o 299.312 2.4752 895.570  10.447  301.484 3.6427 297.141 3.3522 4.342743       4.950415 
1 1 1 9  7  4  o 414.186 2.8622 1711.79  16.188  410.758 3.4043 417.613 4.6021 -6.855408      5.724360 
1 1 1 9  7  6  f 619.646 3.9866 3844.59  33.996  621.263 4.8304 618.030 6.3434 3.232239       7.973202 
1 1 1 9  7  8  o 221.232 1.8241 483.395  5.4038  214.107 2.0875 228.356 2.9918 -14.24915      3.648110 
1 1 1 9  7  10 o 577.043 3.6923 3341.76  29.389  584.550 4.4894 569.536 5.8633 15.01398       7.384645 
1 1 1 9  7  12 o 960.833 5.7407 9262.88  76.852  973.769 7.2390 947.897 8.9117 25.87231       11.48137 
1 1 1 9  7  14 o 644.218 4.0620 4154.05  35.973  645.530 4.9060 642.906 6.4754 2.624390       8.123997 
1 1 1 9  7  16 o 828.763 4.9512 6868.00  56.817  826.024 6.1375 831.503 7.7711 -5.478516      9.902450 
1 1 1 9  7  18 o 733.588 5.2609 5403.34  53.023  741.575 6.3198 725.601 8.4125 15.97375       10.52188 
1 1 1 9  7  20 o 373.552 2.5093 1396.05  13.236  373.180 3.6615 373.924 3.4322 -0.7442322     5.018648 
1 1 1 9  7  22 o 327.984 2.2024 1075.51  10.206  331.679 3.1764 324.289 3.0519 7.390228       4.404891 
1 1 1 9  7  24 o 223.710 1.7062 500.801  5.3952  220.456 2.4618 226.964 2.3631 -6.508255      3.412483 
1 1 1 9  7  26 o 162.384 1.4736 263.766  3.3841  162.718 2.0797 162.050 2.0883 0.6684570      2.947231 
1 1 1 9  7  28 f 141.444 1.6472 201.121  3.2113  138.772 2.6226 144.115 1.9937 -5.343140      3.294405 
1 1 1 9  7  30 o 134.151 1.5990 180.050  3.0326  131.605 2.2803 136.696 2.2421 -5.091309      3.197901 
1 1 1 9  7  32 o 75.089  1.7754 56.437   1.8830  77.852  2.4605 72.327  2.5601 5.524986       3.550803 
1 1 1 9  7  34 o 54.216  2.3970 30.358   1.7089  58.356  2.5166 50.075  4.0803 8.280365       4.793925 
1 1 1 9  7  36 o 55.020  2.5243 31.472   1.7724  59.224  2.4797 50.816  4.3977 8.407265       5.048640 
1 1 1 9  7  38 o 50.939  2.9678 26.558   1.8284  52.458  2.6778 49.419  5.2973 3.039673       5.935653 
1 1 1 9  7  40 o 36.019  3.7235 12.987   1.8181  34.861  4.3958 37.177  6.0112 -2.315479      7.446978 
1 1 1 9  7  42 o 71.845  2.1619 52.545   1.9832  73.749  2.1645 69.942  3.7429 3.807373       4.323702 
1 1 1 9  7  44 o 66.339  2.1524 44.654   1.9279  67.721  2.4514 64.957  3.5387 2.763954       4.304845 
1 1 1 9  7  46 o 46.492  2.8976 22.334   1.7966  48.164  3.1816 44.819  4.8437 3.345062       5.795187 
1 1 1 9  7  48 o 55.845  3.0760 31.198   2.1692  52.333  3.1722 59.356  5.2710 -7.023392      6.151940 
1 1 1 9  7  50 o 21.904  4.7899 5.4284   1.7507  25.695  6.4622 18.112  7.0721 7.582695       9.579871 
1 1 1 9  7  52 o 28.856  5.0096 10.182   1.9933  29.883  5.9802 27.829  8.0387 2.053839       10.01919 
1 1 1 9  7  54 o 17.916  5.1631 2.8946   2.1283  18.941  6.7119 16.891  7.8473 2.049747       10.32618 
1 1 1 9  8  1  o 83.406  1.0843 69.316   1.2642  85.089  1.6509 81.722  1.4064 3.367531       2.168689 
1 1 1 9  8  3  o 409.638 2.7333 1678.10  15.831  415.052 3.8767 404.223 3.8542 10.82910       5.466578 
1 1 1 9  8  5  o 459.048 2.9807 2108.10  19.345  456.786 4.2773 461.309 4.1523 -4.523132      5.961333 
1 1 1 9  8  7  o 435.345 2.9003 1895.14  17.336  434.940 3.4939 435.750 4.6304 -0.8103027     5.800653 
1 1 1 9  8  9  o 569.493 3.5687 3247.48  28.198  572.101 4.4420 566.885 5.5866 5.216003       7.137331 
1 1 1 9  8  11 o 315.128 2.3561 995.253  10.266  317.848 2.8927 312.409 3.7197 5.439270       4.712143 
1 1 1 9  8  13 o 317.542 2.2476 1008.79  9.8928  318.009 2.7909 317.076 3.5240 0.9335632      4.495299 
1 1 1 9  8  15 o 797.934 4.8260 6375.69  53.401  800.403 5.9989 795.466 7.5612 4.937317       9.651916 
1 1 1 9  8  17 o 512.576 3.3373 2625.56  23.489  510.570 4.0268 514.581 5.3231 -4.010651      6.674667 
1 1 1 9  8  19 o 184.567 1.9707 340.909  5.1382  186.592 2.7033 182.543 2.8682 4.049133       3.941404 
1 1 1 9  8  21 o 238.633 1.8098 570.356  5.9986  240.123 2.2602 237.142 2.8271 2.981552       3.619555 
1 1 1 9  8  23 o 214.393 1.7615 459.322  5.2065  213.582 2.1524 215.204 2.7890 -1.621292      3.522969 
1 1 1 9  8  25 f 150.632 1.7409 227.099  3.5039  150.834 1.9473 150.431 2.8863 0.4030762      3.481717 
1 1 1 9  8  27 o 286.274 2.2830 818.084  9.0508  283.138 2.8414 289.410 3.5741 -6.271881      4.565947 
1 1 1 9  8  29 o 258.474 2.4314 668.187  8.5444  257.683 2.8495 259.264 3.9404 -1.580627      4.862792 
1 1 1 9  8  31 o 114.927 2.2556 134.226  2.9022  117.197 1.7979 112.657 4.1374 4.539268       4.511152 
1 1 1 9  8  33 o 88.436  1.6438 78.360   1.9256  88.668  1.8003 88.203  2.7508 0.4651871      3.287555 
1 1 1 9  8  35 o 36.512  3.0320 13.244   1.5324  34.958  3.8356 38.065  4.6968 -3.106724      6.063941 
1 1 1 9  8  37 o 99.353  1.6646 99.808   2.1655  101.536 1.7608 97.170  2.8255 4.365608       3.329256 
1 1 1 9  8  39 o 33.258  4.4091 11.081   1.7734  31.851  4.2097 34.665  7.7485 -2.813356      8.818244 
1 1 1 9  8  41 o 26.992  5.0812 7.5632   1.9279  24.599  6.6072 29.386  7.7214 -4.786694      10.16244 
1 1 1 9  8  43 o 45.110  2.9644 20.934   1.6419  46.463  2.7484 43.757  5.2532 2.706360       5.928709 
1 1 1 9  8  45 o 19.294  4.5690 3.5782   1.5116  21.005  5.8602 17.583  7.0113 3.422173       9.137903 
1 1 1 9  8  47 o 18.574  5.1397 2.6398   1.8297  15.517  6.2222 21.631  8.1823 -6.114504      10.27942 
1 1 1 9  8  49 o 49.064  3.1565 25.134   1.9503  49.332  3.1063 48.796  5.4958 0.5367470      6.312945 
1 1 1 9  8  51 o 19.893  5.4707 3.9497   2.2123  20.272  7.3355 19.514  8.1181 0.7578850      10.94134 
1 1 1 9  8  53 o 17.675  4.8924 2.1965   1.8389  12.018  5.5261 23.333  8.0749 -11.31537      9.784807 
1 1 1 9  9  0  o 147.949 1.9428 219.007  5.7465  147.949 1.9428 ?       ?      0.000000       0.000000 
1 1 1 9  9  2  o 130.041 1.3192 169.034  2.4246  131.588 1.8924 128.495 1.8386 3.092972       2.638469 
1 1 1 9  9  4  o 372.365 2.5470 1385.86  13.384  375.612 3.7228 369.118 3.4769 6.493408       5.093935 
1 1 1 9  9  6  o 573.295 3.6308 3287.75  29.435  567.415 5.1651 579.175 5.1043 -11.75964      7.261656 
1 1 1 9  9  8  o 922.099 5.8213 8511.23  75.391  920.470 8.7750 923.729 7.6519 -3.259033      11.64263 
1 1 1 9  9  10 o 611.982 3.9431 3748.29  33.300  613.130 4.8216 610.833 6.2404 2.297058       7.886136 
1 1 1 9  9  12 o 632.394 3.9782 4009.26  34.826  638.151 4.9027 626.638 6.2665 11.51288       7.956460 
1 1 1 9  9  14 o 159.348 1.4583 253.889  3.1950  159.249 1.7642 159.447 2.3226 -0.1976776     2.916644 
1 1 1 9  9  16 o 575.539 3.6682 3308.66  29.260  571.470 4.5698 579.608 5.7394 -8.138000      7.336459 
1 1 1 9  9  18 o 571.737 3.6090 3273.88  28.553  573.734 4.4516 569.740 5.6819 3.994263       7.218081 
1 1 1 9  9  20 f 450.690 3.0116 2023.65  18.337  445.151 3.4855 456.229 4.9123 -11.07764      6.023258 
1 1 1 9  9  22 o 318.905 2.2513 1015.87  9.9267  316.882 2.7806 320.929 3.5414 -4.047485      4.502611 
1 1 1 9  9  24 o 172.997 1.5679 298.447  3.7023  171.288 1.8638 174.705 2.5218 -3.416702      3.135805 
1 1 1 9  9  26 o 113.691 1.3776 129.342  2.1802  113.892 1.7379 113.492 2.1379 0.4000397      2.755174 
1 1 1 9  9  28 o 32.017  3.7420 10.852   1.5116  34.989  3.6497 29.045  6.5336 5.943951       7.483922 
1 1 1 9  9  30 o 186.006 1.9446 344.360  4.6529  183.985 2.0128 188.026 3.3279 -4.040802      3.889285 
1 1 1 9  9  32 o 62.758  2.3293 39.115   1.8648  61.767  2.3776 63.750  4.0063 -1.983952      4.658669 
1 1 1 9  9  34 o 21.483  5.2540 4.0236   1.7585  18.626  6.1737 24.339  8.5032 -5.712921      10.50805 
1 1 1 9  9  36 o 14.561  4.6241 -1.9514  1.9454  14.333  6.1651 14.788  6.8935 -0.4540720     9.248139 
1 1 1 9  9  38 o 97.715  1.7804 95.275   2.2407  96.887  1.8453 98.542  3.0454 -1.655426      3.560786 
1 1 1 9  9  40 o 102.796 1.8469 107.149  2.4437  105.135 1.8827 100.457 3.1780 4.677238       3.693793 
1 1 1 9  9  42 o 44.657  3.3665 18.963   1.9289  38.950  3.7703 50.363  5.5784 -11.41241      6.733025 
1 1 1 9  9  44 o 15.520  4.5375 0.1815   1.6937  16.565  6.1216 14.475  6.6995 2.090022       9.075084 
1 1 1 9  9  46 o 17.651  4.9641 2.1027   1.8429  17.189  6.7931 18.114  7.2404 -0.9252682     9.928232 
1 1 1 9  9  48 o 21.026  4.9402 4.5177   1.8841  24.397  6.4455 17.654  7.4886 6.743132       9.880426 
1 1 1 9  9  50 o 17.086  4.9637 1.9921   1.8389  15.424  6.2882 18.748  7.6820 -3.324059      9.927436 
1 1 1 9  9  52 o 16.583  5.0899 0.8209   2.1892  13.395  6.1673 19.772  8.0988 -6.377421      10.17971 
1 1 1 9  9  54 o 20.176  5.5340 4.5448   2.1727  14.281  6.2746 26.070  9.1176 -11.78873      11.06805 
1 1 1 9  10 1  o 635.563 4.0560 4039.23  36.437  628.140 5.6619 642.987 5.8092 -14.84625      8.111980 
1 1 1 9  10 3  f 762.428 4.6247 5814.90  49.857  768.795 6.5778 756.060 6.5028 12.73547       9.249490 
1 1 1 9  10 5  o 319.904 2.3005 1023.48  10.407  318.847 3.2441 320.962 3.2625 -2.115173      4.600915 
1 1 1 9  10 7  o 962.076 7.0024 9329.19  91.767  983.561 8.1666 940.591 11.377 42.97015       14.00485 
1 1 1 9  10 9  o 481.987 3.1568 2323.65  21.518  482.265 4.4618 481.709 4.4669 0.5563660      6.313552 
1 1 1 9  10 11 o 804.328 4.9066 6454.45  54.133  796.261 5.9179 812.395 7.8281 -16.13470      9.813264 
1 1 1 9  10 13 o 724.342 4.5188 5252.89  45.100  725.946 5.4972 722.738 7.1736 3.208435       9.037695 
1 1 1 9  10 15 o 720.388 4.4878 5203.31  44.729  726.063 5.5227 714.714 7.0755 11.34955       8.975668 
1 1 1 9  10 17 o 301.609 2.2145 911.553  9.3009  304.326 2.7905 298.891 3.4394 5.434845       4.428977 
1 1 1 9  10 19 o 415.142 2.7210 1726.24  15.686  417.302 3.3968 412.982 4.2517 4.319885       5.441991 
1 1 1 9  10 21 o 325.617 2.3129 1063.18  10.449  328.976 2.8725 322.258 3.6259 6.718689       4.625819 
1 1 1 9  10 23 o 310.973 2.2310 967.139  9.6752  310.250 2.8401 311.695 3.4415 -1.444336      4.462035 
1 1 1 9  10 25 o 115.911 1.5870 134.384  2.5540  115.833 1.9844 115.989 2.4772 -0.1554108     3.174028 
1 1 1 9  10 27 o 156.895 1.5749 246.786  3.4655  159.138 2.0463 154.652 2.3946 4.486771       3.149824 
1 1 1 9  10 29 o 356.812 2.6112 1277.87  12.977  360.966 3.2901 352.658 4.0556 8.308167       5.222348 
1 1 1 9  10 31 o 204.215 2.0966 421.970  5.4392  208.400 2.0834 200.031 3.6389 8.369431       4.193126 
1 1 1 9  10 33 o 182.663 1.8919 337.520  4.3957  186.272 1.8853 179.054 3.2807 7.217712       3.783835 
1 1 1 9  10 35 o 218.877 2.0451 479.501  5.7140  218.619 2.0736 219.135 3.5256 -0.5158386     4.090243 
1 1 1 9  10 37 o 108.889 1.9724 118.320  2.6102  108.152 1.8302 109.625 3.4947 -1.473465      3.944890 
1 1 1 9  10 39 o 99.923  2.0700 100.663  2.6005  100.789 2.0272 99.057  3.6097 1.732376       4.139960 
1 1 1 9  10 41 o 18.477  4.8557 2.6376   1.6578  18.508  6.1737 18.447  7.4965 0.6106186E-01  9.711433 
1 1 1 9  10 43 o 37.473  4.0567 13.981   1.8018  35.154  3.8142 39.791  7.1608 -4.636997      8.113313 
1 1 1 9  10 45 o 39.003  3.0851 15.592   1.6770  39.255  3.9038 38.752  4.7783 0.5031281      6.170215 
1 1 1 9  10 47 o 32.185  5.1719 12.446   2.1140  37.285  4.2813 27.086  9.4162 10.19842       10.34383 
1 1 1 9  10 49 o 16.185  4.9698 0.3174   2.0870  16.146  6.5574 16.224  7.4696 -0.7856178E-01 9.939558 
1 1 1 9  10 51 o 27.554  5.0029 9.3160   1.9464  28.795  6.1656 26.312  7.8805 2.483448       10.00584 
1 1 1 9  10 53 o 12.416  4.1528 -2.0080  1.7438  10.595  5.0010 14.236  6.6313 -3.641404      8.305682 
1 1 1 9  11 0  o 158.726 2.1329 252.082  6.7681  158.726 2.1329 ?       ?      0.000000       0.000000 
1 1 1 9  11 2  o 326.689 2.2458 1067.34  10.375  325.839 3.1549 327.539 3.1970 -1.699738      4.491586 
1 1 1 9  11 4  o 183.657 1.5488 337.322  4.0226  184.370 2.1818 182.944 2.1988 1.425415       3.097577 
1 1 1 9  11 6  o 353.302 2.4539 1248.26  12.254  354.259 3.5326 352.345 3.4069 1.913666       4.907769 
1 1 1 9  11 8  o 272.494 2.4854 742.219  9.5669  275.187 3.5964 269.800 3.4315 5.386719       4.970871 
1 1 1 9  11 10 o 310.949 2.2868 966.535  10.048  314.367 3.2903 307.532 3.1766 6.835449       4.573545 
1 1 1 9  11 12 o 257.012 1.9588 660.516  7.1180  253.075 2.7753 260.949 2.7649 -7.874481      3.917542 
1 1 1 9  11 14 o 420.790 2.8456 1766.56  16.519  416.537 3.4950 425.044 4.4916 -8.506622      5.691170 
1 1 1 9  11 16 o 151.573 1.9006 230.036  4.0241  150.664 2.9242 152.481 2.4287 -1.816681      3.801238 
1 1 1 9  11 18 o 207.318 1.6759 430.375  4.8376  208.477 2.1133 206.160 2.6016 2.317566       3.351744 
1 1 1 9  11 20 o 211.236 1.6568 446.255  4.8493  211.121 2.0566 211.352 2.5981 -0.2302246     3.313546 
1 1 1 9  11 22 o 235.898 1.7082 557.326  5.6648  238.217 2.2515 233.580 2.5695 4.636932       3.416401 
1 1 1 9  11 24 o 150.502 1.4850 225.886  3.0453  149.046 1.7564 151.958 2.3951 -2.911530      2.970060 
1 1 1 9  11 26 o 66.005  1.6469 43.378   1.5085  64.607  2.0754 67.404  2.5577 -2.796585      3.293787 
1 1 1 9  11 28 o 176.841 1.6586 314.281  4.0983  181.542 2.1103 172.140 2.5594 9.401306       3.317161 
1 1 1 9  11 30 o 102.856 1.4881 106.508  2.1156  105.562 1.8146 100.149 2.3590 5.413200       2.976133 
1 1 1 9  11 32 o 62.732  2.0158 39.801   1.7274  64.882  2.3619 60.583  3.2672 4.298958       4.031513 
1 1 1 9  11 34 o 123.148 1.6944 151.431  2.7016  122.507 1.7721 123.789 2.8885 -1.281647      3.388739 
1 1 1 9  11 36 o 144.513 1.8495 210.523  3.4979  146.518 1.9610 142.508 3.1363 4.009384       3.698957 
1 1 1 9  11 38 o 113.962 1.7172 130.178  2.6051  113.987 1.9045 113.936 2.8581 0.5144501E-01  3.434499 
1 1 1 9  11 40 o 24.651  4.8202 6.3850   1.8389  28.800  5.5176 20.501  7.9052 8.299438       9.640307 
1 1 1 9  11 42 o 25.865  5.0327 7.1924   1.9052  28.170  5.8606 23.561  8.1832 4.609526       10.06533 
1 1 1 9  11 44 o 16.103  4.8380 0.4459   1.8590  15.472  6.2947 16.733  7.3486 -1.261123      9.675980 
1 1 1 9  11 46 o 37.582  3.8314 15.345   1.8815  40.227  4.1269 34.938  6.4566 5.289520       7.662785 
1 1 1 9  11 48 o 44.675  4.5317 23.335   1.9742  49.679  2.8276 39.670  8.6111 10.00865       9.063476 
1 1 1 9  11 50 o 27.917  5.3346 9.1607   2.0507  23.849  6.6909 31.984  8.3104 -8.135080      10.66916 
1 1 1 9  11 52 o 21.876  5.5328 6.0996   2.1033  19.297  7.0765 24.456  8.5071 -5.159000      11.06556 
1 1 1 9  12 1  f 880.371 5.3487 7752.34  66.555  870.939 7.4559 889.803 7.6709 -18.86444      10.69733 
1 1 1 9  12 3  o 307.005 2.2864 941.635  9.9163  300.393 3.1884 313.617 3.2779 -13.22482      4.572736 
1 1 1 9  12 5  o 482.129 3.2226 2324.94  21.946  482.510 4.6845 481.748 4.4268 0.7612915      6.445227 
1 1 1 9  12 7  o 580.591 3.6942 3365.93  30.224  591.049 5.4339 570.132 5.0061 20.91614       7.388334 
1 1 1 9  12 9  o 724.201 4.3922 5247.42  44.978  723.373 6.1523 725.031 6.2703 -1.657959      8.784466 
1 1 1 9  12 11 o 600.239 3.8265 3600.36  32.366  607.487 5.6442 592.991 5.1684 14.49628       7.653059 
1 1 1 9  12 13 o 216.718 1.7713 469.812  5.4273  219.605 2.4714 213.831 2.5381 5.774643       3.542572 
1 1 1 9  12 15 o 505.513 3.2749 2555.47  22.870  504.290 4.0263 506.736 5.1661 -2.445923      6.549837 
1 1 1 9  12 17 o 451.486 3.0511 2039.53  19.074  451.357 3.7771 451.615 4.7929 -0.2574768     6.102281 
1 1 1 9  12 19 o 340.879 2.3942 1158.96  11.230  337.026 2.9176 344.733 3.7970 -7.707092      4.788434 
1 1 1 9  12 21 o 129.289 1.4174 165.256  2.5193  123.935 1.7517 134.643 2.2288 -10.70770      2.834793 
1 1 1 9  12 23 o 165.199 1.6304 273.250  3.7860  166.362 2.1493 164.035 2.4523 2.326538       3.260847 
1 1 1 9  12 25 o 275.800 2.2825 757.878  8.7425  270.115 2.8839 281.485 3.5386 -11.37051      4.564918 
1 1 1 9  12 27 o 212.058 1.9384 450.192  5.8097  214.423 2.6800 209.692 2.8014 4.730759       3.876860 
1 1 1 9  12 29 o 159.046 1.7034 253.020  3.8268  157.665 2.3489 160.427 2.4676 -2.762039      3.406798 
1 1 1 9  12 31 o 93.444  1.5235 87.455   2.0108  94.914  2.0854 91.974  2.2215 2.940643       3.046989 
1 1 1 9  12 33 o 136.155 1.7065 185.751  3.0086  136.405 1.7788 135.906 2.9128 0.4988556      3.413018 
1 1 1 9  12 35 f 142.837 1.6282 204.802  3.1103  143.768 1.8209 141.906 2.6997 1.861618       3.256382 
1 1 1 9  12 37 o 33.944  4.9973 12.371   2.1550  36.810  4.6834 31.079  8.8294 5.731579       9.994630 
1 1 1 9  12 39 o 115.155 1.9054 131.465  2.8229  112.507 1.9863 117.803 3.2521 -5.296043      3.810712 
1 1 1 9  12 41 o 81.681  1.8003 67.658   2.0113  84.425  2.1176 78.937  2.9120 5.488396       3.600554 
1 1 1 9  12 43 f 32.125  3.8925 10.684   1.7027  26.939  5.8522 37.310  5.1340 -10.37089      7.784986 
1 1 1 9  12 45 o 42.881  3.0990 18.766   1.8571  39.847  4.1663 45.916  4.5890 -6.069221      6.198087 
1 1 1 9  12 47 o 14.740  4.7059 -0.9777  1.9454  12.792  5.7978 16.688  7.4141 -3.896096      9.411892 
1 1 1 9  12 49 o 37.316  3.7200 14.792   1.8623  30.261  5.4761 44.372  5.0365 -14.11086      7.439987 
1 1 1 9  12 51 f 16.575  5.0037 1.2228   2.0761  13.541  6.1685 19.610  7.8801 -6.068982      10.00731 
1 1 1 9  13 0  o 416.489 4.1402 1735.33  34.479  416.489 4.1402 ?       ?      0.000000       0.000000 
1 1 1 9  13 2  o 200.682 1.9157 402.784  5.4085  200.747 2.5445 200.617 2.8644 0.1294098      3.831389 
1 1 1 9  13 4  o 590.920 4.0288 3493.50  33.519  591.220 5.3783 590.620 6.0000 0.5993042      8.057639 
1 1 1 9  13 6  f 939.498 5.5044 8828.69  73.078  926.789 7.6610 952.208 7.9058 -25.41870      11.00879 
1 1 1 9  13 8  o 339.934 2.4570 1155.49  11.809  344.065 3.4888 335.803 3.4606 8.262390       4.914039 
1 1 1 9  13 10 o 678.758 4.1373 4609.19  39.707  669.767 5.8439 687.750 5.8582 -17.98260      8.274606 
1 1 1 9  13 12 o 476.543 3.0933 2271.68  20.845  472.210 4.3675 480.875 4.3817 -8.664459      6.186636 
1 1 1 9  13 14 o 248.768 1.9512 618.168  6.8460  244.883 2.6595 252.654 2.8557 -7.770813      3.902344 
1 1 1 9  13 16 o 441.788 2.8516 1951.73  17.791  445.984 4.1375 437.591 3.9251 8.393402       5.703109 
1 1 1 9  13 18 o 132.200 1.8807 174.288  3.4828  134.684 2.8445 129.717 2.4611 4.967163       3.761407 
1 1 1 9  13 20 o 86.605  1.4336 75.005   1.7553  85.978  2.0051 87.231  2.0495 -1.252640      2.867231 
1 1 1 9  13 22 o 189.340 1.7062 358.681  4.5597  189.596 2.3237 189.084 2.4989 0.5114288      3.412324 
1 1 1 9  13 24 o 111.090 1.5305 123.088  2.3599  109.602 1.9225 112.579 2.3821 -2.977280      3.061077 
1 1 1 9  13 26 o 372.848 2.6163 1390.23  13.557  370.619 3.2906 375.077 4.0686 -4.458435      5.232688 
1 1 1 9  13 28 o 78.273  1.6605 61.668   1.8057  80.521  2.0617 76.025  2.6036 4.495964       3.321009 
1 1 1 9  13 30 o 250.165 2.1955 626.180  7.5317  249.341 2.6376 250.990 3.5106 -1.648895      4.391077 
1 1 1 9  13 32 o 150.078 1.6477 225.002  3.4304  148.652 2.0617 151.504 2.5708 -2.851395      3.295431 
1 1 1 9  13 34 o 41.941  3.0342 17.864   1.7089  43.265  3.3943 40.617  5.0304 2.647720       6.068495 
1 1 1 9  13 36 o 31.142  3.7919 9.9231   1.6125  30.819  4.7651 31.465  5.8997 -0.6457806     7.583723 
1 1 1 9  13 38 o 63.682  2.1649 40.886   1.8623  64.429  2.4776 62.935  3.5509 1.493889       4.329808 
1 1 1 9  13 40 o 53.491  2.4468 28.569   1.7251  52.393  2.6811 54.589  4.0938 -2.196453      4.893614 
1 1 1 9  13 42 o 16.501  4.7509 0.9578   1.7724  17.177  6.3948 15.825  7.0279 1.352114       9.501816 
1 1 1 9  13 44 o 20.942  4.8994 4.5081   1.6625  20.323  6.4473 21.561  7.3790 -1.238623      9.798883 
1 1 1 9  13 46 o 24.639  5.2460 6.8588   1.9279  23.052  6.7646 26.226  8.0201 -3.174448      10.49199 
1 1 1 9  13 48 o 53.494  3.5530 30.789   2.3609  54.933  3.3708 52.056  6.2556 2.877277       7.105927 
1 1 1 9  13 50 o 31.521  5.1727 12.397   2.2566  35.447  5.4039 27.596  8.8218 7.851065       10.34532 
1 1 1 9  13 52 o 18.397  5.3535 3.1198   2.3762  19.924  7.3231 16.870  7.8110 3.054127       10.70698 
1 1 1 9  14 1  o 546.564 3.4613 2988.41  26.751  546.370 4.9433 546.759 4.8464 -0.3892822     6.922687 
1 1 1 9  14 3  o 674.888 4.2046 4557.17  40.128  675.822 5.9805 673.954 5.9118 1.867859       8.409231 
1 1 1 9  14 5  f 434.333 2.9418 1886.19  18.055  438.298 4.2392 430.367 4.0800 7.931183       5.883645 
1 1 1 9  14 7  o 354.687 2.5398 1258.46  12.737  352.976 3.6359 356.398 3.5473 -3.421631      5.079669 
1 1 1 9  14 9  o 504.915 3.5534 2552.40  25.336  510.700 4.8510 499.129 5.1937 11.57047       7.106795 
1 1 1 9  14 11 o 420.835 2.7465 1771.50  16.343  415.382 3.8890 426.287 3.8794 -10.90494      5.493062 
1 1 1 9  14 13 o 470.753 3.0646 2217.64  20.400  467.097 4.3743 474.409 4.2934 -7.311615      6.129251 
1 1 1 9  14 15 o 365.119 2.5288 1333.25  13.048  368.105 3.6426 362.133 3.5087 5.971466       5.057635 
1 1 1 9  14 17 o 277.320 2.0760 769.435  8.1408  275.615 2.9653 279.024 2.9062 -3.408447      4.152000 
1 1 1 9  14 19 o 146.455 1.3574 214.462  2.8036  145.889 1.8382 147.020 1.9978 -1.130783      2.714776 
1 1 1 9  14 21 o 297.675 2.1911 883.562  8.9755  293.801 2.6731 301.550 3.4726 -7.748657      4.382251 
1 1 1 9  14 23 o 93.695  2.5786 88.429   3.2643  95.382  2.9454 92.007  4.2332 3.375122       5.157116 
1 1 1 9  14 25 o 323.813 2.4182 1051.43  10.834  325.986 2.9772 321.639 3.8115 4.346649       4.836452 
1 1 1 9  14 27 o 359.580 2.7392 1295.45  13.901  359.818 3.7265 359.342 4.0157 0.4754333      5.478393 
1 1 1 9  14 29 o 123.886 1.9916 154.541  3.2106  125.439 2.0870 122.334 3.3926 3.105507       3.983105 
1 1 1 9  14 31 o 60.812  1.8191 37.028   1.5637  61.020  2.6160 60.604  2.5286 0.4165039      3.638261 
1 1 1 9  14 33 o 128.422 1.5989 165.008  2.7119  128.254 1.7424 128.590 2.6813 -0.3360596     3.197753 
1 1 1 9  14 35 f 63.620  2.1243 40.726   1.8398  64.253  2.4843 62.988  3.4466 1.265030       4.248623 
1 1 1 9  14 37 o 94.080  2.0693 89.494   2.4802  95.458  2.0735 92.701  3.5816 2.756409       4.138558 
1 1 1 9  14 39 o 39.498  3.1782 15.192   1.7057  34.667  4.0520 44.328  4.8974 -9.661350      6.356331 
1 1 1 9  14 41 o 29.109  3.7616 8.9037   1.4998  31.670  4.6371 26.549  5.9241 5.121231       7.523154 
1 1 1 9  14 43 o 27.768  5.3458 8.0226   1.9437  24.741  5.9909 30.794  8.8555 -6.052975      10.69164 
1 1 1 9  14 45 o 41.720  3.7854 18.042   2.1892  35.945  5.3291 47.495  5.3774 -11.55034      7.570716 
1 1 1 9  14 47 o 31.004  5.0088 11.626   2.0358  35.262  4.5269 26.746  8.9364 8.515736       10.01761 
1 1 1 9  14 49 o 20.223  5.3218 4.4852   2.0354  20.673  7.1246 19.772  7.9072 0.9009705      10.64351 
1 1 1 9  14 51 f 22.083  5.6092 6.0749   2.0870  18.031  6.7818 26.135  8.9365 -8.103685      11.21845 
1 1 1 9  15 0  o 65.708  2.8293 43.418   3.7033  65.708  2.8293 ?       ?      0.000000       0.000000 
1 1 1 9  15 2  o 267.449 2.0846 714.962  7.8792  271.471 2.9871 263.428 2.9086 8.042969       4.169232 
1 1 1 9  15 4  o 269.663 2.1352 727.203  8.1348  268.871 2.9447 270.455 3.0927 -1.583710      4.270383 
1 1 1 9  15 6  o 724.080 4.5266 5245.51  46.336  713.437 6.3632 734.724 6.4396 -21.28705      9.053127 
1 1 1 9  15 8  o 336.616 2.4411 1133.42  11.620  338.114 3.4558 335.118 3.4486 2.995850       4.882183 
1 1 1 9  15 10 o 510.803 3.3322 2611.04  24.072  510.434 4.7159 511.172 4.7091 -0.7375183     6.664495 
1 1 1 9  15 12 o 274.654 2.3189 751.691  8.8318  279.245 3.6127 270.064 2.9081 9.181122       4.637738 
1 1 1 9  15 14 o 71.811  1.6438 51.709   1.6503  70.743  2.5272 72.880  2.1027 -2.136269      3.287529 
1 1 1 9  15 16 o 457.403 3.0056 2093.63  19.436  454.570 4.1999 460.237 4.3008 -5.666840      6.011261 
1 1 1 9  15 18 o 184.010 1.5901 337.992  4.0627  185.721 2.4753 182.299 1.9964 3.422684       3.180104 
1 1 1 9  15 20 o 111.164 1.4825 123.609  2.3301  111.335 2.1219 110.992 2.0710 0.3436203      2.965058 
1 1 1 9  15 22 o 160.387 1.7299 254.987  3.6706  156.883 1.9129 163.890 2.8830 -7.007324      3.459869 
1 1 1 9  15 24 o 111.702 1.6171 124.765  2.5524  108.303 2.2993 115.102 2.2744 -6.799248      3.234116 
1 1 1 9  15 26 o 126.082 1.4699 159.048  2.6116  126.060 1.9754 126.104 2.1772 -0.4408264E-01 2.939806 
1 1 1 9  15 28 o 330.560 2.5155 1095.21  11.545  331.227 3.1421 329.893 3.9290 1.333282       5.030949 
1 1 1 9  15 30 o 40.000  3.2988 16.112   1.8495  36.175  4.9421 43.825  4.3708 -7.649689      6.597573 
1 1 1 9  15 32 o 168.376 1.7505 283.891  4.1149  168.434 2.2366 168.317 2.6934 0.1166992      3.500930 
1 1 1 9  15 34 o 73.867  2.0094 54.558   2.0157  73.253  2.3534 74.482  3.2576 -1.228844      4.018779 
1 1 1 9  15 36 o 63.895  2.5625 42.021   1.9831  66.391  2.3081 61.398  4.5757 4.992977       5.124911 
1 1 1 9  15 38 o 34.907  3.5813 12.827   1.6577  39.630  4.0279 30.184  5.9226 9.446209       7.162523 
1 1 1 9  15 40 o 30.047  3.9099 9.5622   1.5860  32.690  4.4924 27.404  6.4005 5.286230       7.819715 
1 1 1 9  15 42 o 27.128  5.4523 7.7861   2.0358  24.948  6.3742 29.308  8.8475 -4.359165      10.90455 
1 1 1 9  15 44 o 32.731  4.0911 11.368   1.8164  26.461  6.1449 39.000  5.4027 -12.53843      8.182278 
1 1 1 9  15 46 o 15.701  4.9634 -0.2687  1.8869  12.037  5.4480 19.365  8.2981 -7.327676      9.926716 
1 1 1 9  15 48 o 16.976  4.7867 2.2220   1.7507  14.971  6.3579 18.981  7.1574 -4.010095      9.573428 
1 1 1 9  15 50 o 16.410  4.9562 0.4682   2.2702  19.148  7.4386 13.672  6.5516 5.476001       9.912421 
1 1 1 9  16 1  o 421.884 3.0875 1780.55  18.419  417.685 4.3720 426.082 4.3608 -8.396332      6.175016 
1 1 1 9  16 3  o 515.099 3.3789 2654.48  24.611  510.541 4.7649 519.658 4.7919 -9.116241      6.757765 
1 1 1 9  16 5  o 274.801 2.0468 755.058  7.9339  276.006 3.0074 273.596 2.7772 2.410645       4.093530 
1 1 1 9  16 7  o 221.019 2.1552 487.926  6.7179  217.339 2.9378 224.699 3.1542 -7.359879      4.310410 
1 1 1 9  16 9  o 142.320 1.8407 203.994  3.6645  149.477 2.3494 135.163 2.8344 14.31435       3.681468 
1 1 1 9  16 11 o 125.342 1.4231 157.116  2.5217  122.693 2.0296 127.991 1.9955 -5.297386      2.846248 
1 1 1 9  16 13 o 85.023  1.6569 71.817   1.9279  86.934  2.6441 83.111  1.9975 3.823517       3.313766 
1 1 1 9  16 15 o 128.183 1.5322 164.335  2.7771  128.730 2.1824 127.635 2.1511 1.095154       3.064336 
1 1 1 9  16 17 o 241.124 1.9227 581.540  6.5184  241.567 2.8811 240.681 2.5468 0.8862610      3.845348 
1 1 1 9  16 19 o 221.038 1.8205 489.023  5.6712  220.109 2.6978 221.968 2.4451 -1.858932      3.640953 
1 1 1 9  16 21 f 90.711  1.7284 81.360   2.1246  93.833  2.7899 87.588  2.0412 6.244957       3.456870 
1 1 1 9  16 23 o 67.386  1.8147 45.537   1.7216  68.904  2.4093 65.868  2.7142 3.035408       3.629314 
1 1 1 9  16 25 o 176.986 1.7282 314.142  4.2983  180.113 2.2688 173.858 2.6075 6.254807       3.456389 
1 1 1 9  16 27 o 112.654 1.5233 126.983  2.4246  112.907 2.2055 112.401 2.1018 0.5059967      3.046613 
1 1 1 9  16 29 o 101.069 1.5416 101.698  2.1802  97.889  2.0220 104.250 2.3274 -6.360573      3.083104 
1 1 1 9  16 31 o 126.257 1.5249 159.557  2.6952  126.241 1.9725 126.272 2.3260 -0.3047180E-01 3.049813 
1 1 1 9  16 33 o 76.794  2.0020 59.189   2.1709  74.342  2.9202 79.247  2.7394 -4.905525      4.003989 
1 1 1 9  16 35 o 84.618  1.7415 71.994   2.0707  86.703  2.2829 82.533  2.6304 4.170471       3.482901 
1 1 1 9  16 37 f 48.678  2.8415 23.821   1.9218  48.196  3.5770 49.160  4.4160 -0.9645424     5.682951 
1 1 1 9  16 39 o 30.267  4.2458 9.6890   1.7507  27.902  6.1169 32.632  5.8898 -4.730366      8.491544 
1 1 1 9  16 41 o 51.994  3.0000 27.399   2.0789  51.342  3.3578 52.647  4.9725 -1.305058      6.000077 
1 1 1 9  16 43 o 47.212  2.9198 22.739   1.9050  45.201  3.6727 49.224  4.5400 -4.022911      5.839565 
1 1 1 9  16 45 o 22.689  5.4283 5.6935   2.0511  20.937  7.2473 24.441  8.0833 -3.503899      10.85650 
1 1 1 9  16 47 o 20.596  5.5104 4.3911   2.1180  19.858  6.9814 21.335  8.5276 -1.477442      11.02088 
1 1 1 9  16 49 o 21.898  5.7111 5.7221   2.2042  18.854  7.0484 24.942  8.9882 -6.088253      11.42225 
1 1 1 9  16 51 o 17.011  5.3216 1.3512   2.3920  16.815  6.6596 17.208  8.3022 -0.3924656     10.64313 
1 1 1 9  17 0  o 144.346 2.3015 208.536  6.6404  144.346 2.3015 ?       ?      0.000000       0.000000 
1 1 1 9  17 2  o 306.976 2.3627 942.745  10.231  306.743 3.4762 307.209 3.2007 -0.4666748     4.725336 
1 1 1 9  17 4  o 402.643 2.8333 1620.84  16.076  399.531 3.8195 405.756 4.1858 -6.224976      5.666569 
1 1 1 9  17 6  o 130.148 1.4918 169.320  2.7441  126.787 2.1151 133.508 2.1043 -6.720284      2.983604 
1 1 1 9  17 8  o 397.778 2.7641 1583.25  15.546  396.837 3.9581 398.720 3.8593 -1.882599      5.528212 
1 1 1 9  17 10 o 627.954 3.9437 3948.35  35.021  628.376 5.6090 627.532 5.5453 0.8437500      7.887388 
1 1 1 9  17 12 o 261.874 2.0960 686.005  7.7472  262.223 3.0681 261.524 2.8565 0.6988220      4.191979 
1 1 1 9  17 14 o 93.685  1.4771 87.641   1.9218  94.398  2.2998 92.972  1.8543 1.426117       2.954195 
1 1 1 9  17 16 o 490.832 3.1832 2412.72  22.091  488.523 4.5615 493.140 4.4411 -4.616821      6.366325 
1 1 1 9  17 18 o 343.657 2.5535 1183.40  12.366  340.038 3.7930 347.277 3.4198 -7.238831      5.107080 
1 1 1 9  17 20 o 131.248 1.5819 170.642  2.8872  137.296 2.4183 125.200 2.0400 12.09605       3.163789 
1 1 1 9  17 22 o 404.930 2.8272 1642.02  16.172  406.330 4.1013 403.530 3.8924 2.799469       5.654392 
1 1 1 9  17 24 o 50.078  2.7716 25.149   1.9427  55.428  3.6862 44.728  4.1399 10.70073       5.543176 
1 1 1 9  17 26 o 211.572 1.8166 447.625  5.4002  209.988 2.4021 213.157 2.7259 -3.169159      3.633270 
1 1 1 9  17 28 o 188.531 1.8702 355.404  4.8576  187.467 2.2820 189.596 2.9636 -2.128769      3.740369 
1 1 1 9  17 30 o 60.625  2.2575 37.121   1.9134  64.368  2.8767 56.881  3.4798 7.486149       4.514913 
1 1 1 9  17 32 o 102.075 1.6145 104.347  2.3301  103.792 2.2761 100.357 2.2904 3.435730       3.229086 
1 1 1 9  17 34 o 105.310 1.8700 111.166  2.7595  104.971 2.4331 105.649 2.8405 -0.6782990     3.740099 
1 1 1 9  17 36 o 86.396  2.1121 75.324   2.4312  87.569  2.3333 85.222  3.5213 2.346367       4.224210 
1 1 1 9  17 38 o 14.789  4.5539 -0.8367  1.8318  15.638  6.4827 13.939  6.3975 1.699794       9.107838 
1 1 1 9  17 40 o 24.941  5.0818 6.6107   1.8112  24.584  6.0148 25.298  8.1928 -0.7144699     10.16370 
1 1 1 9  17 42 o 35.200  3.5266 12.817   1.7414  34.057  4.6870 36.343  5.2706 -2.286297      7.053208 
1 1 1 9  17 44 o 13.687  4.5955 -3.8022  2.1367  10.939  5.2758 16.436  7.5261 -5.497342      9.191084 
1 1 1 9  17 46 o 23.466  5.5547 6.1296   1.9831  20.222  6.6000 26.710  8.9364 -6.488155      11.10946 
1 1 1 9  17 48 o 20.504  5.6018 3.4465   2.5360  22.816  7.2397 18.191  8.5502 4.625498       11.20352 
1 1 1 9  17 50 o 29.739  5.4928 11.840   2.3003  25.358  7.3689 34.119  8.1476 -8.760569      10.98560 
1 1 1 9  18 1  o 441.794 2.9331 1952.53  18.314  439.033 4.0722 444.555 4.2227 -5.521820      5.866285 
1 1 1 9  18 3  o 215.061 1.8897 462.431  5.7402  216.662 2.7407 213.459 2.6024 3.202667       3.779394 
1 1 1 9  18 5  o 476.309 3.1669 2270.15  21.307  477.612 4.5988 475.007 4.3552 2.604828       6.333807 
1 1 1 9  18 7  o 585.294 3.6872 3428.93  30.510  589.775 5.2724 580.812 5.1559 8.963135       7.374337 
1 1 1 9  18 9  o 668.277 4.1850 4470.79  39.524  677.751 6.0011 658.802 5.8345 18.94971       8.369904 
1 1 1 9  18 11 o 162.786 1.6367 265.107  3.7672  160.825 2.3424 164.747 2.2866 -3.922333      3.273469 
1 1 1 9  18 13 o 127.127 1.5278 161.551  2.7396  128.130 2.2425 126.124 2.0756 2.005623       3.055635 
1 1 1 9  18 15 o 276.255 2.0187 763.409  7.8792  277.798 2.9190 274.711 2.7891 3.087646       4.037324 
1 1 1 9  18 17 o 212.526 1.7755 451.672  5.3160  213.661 2.6298 211.391 2.3862 2.270828       3.551011 
1 1 1 9  18 19 o 224.090 2.0294 500.071  6.1335  227.204 3.3161 220.977 2.3405 6.227493       4.058872 
1 1 1 9  18 21 o 154.144 1.8610 237.836  4.0522  154.933 2.5551 153.354 2.7063 1.579254       3.721946 
1 1 1 9  18 23 f 217.891 1.8998 475.588  5.8282  216.255 2.8345 219.528 2.5304 -3.272766      3.799626 
1 1 1 9  18 25 o 140.541 1.6703 197.497  3.3153  138.252 2.3092 142.831 2.4140 -4.579071      3.340632 
1 1 1 9  18 27 o 78.794  1.9481 62.149   2.1690  77.906  2.7046 79.681  2.8046 -1.775452      3.896278 
1 1 1 9  18 29 o 54.554  2.1518 29.818   1.6601  54.612  3.0398 54.495  3.0464 0.1170464      4.303581 
1 1 1 9  18 31 f 12.250  3.9944 -2.4672  1.5860  13.309  6.0289 11.191  5.2414 2.118134       7.988789 
1 1 1 9  18 33 o 95.850  1.7422 91.713   2.3469  92.739  2.3409 98.962  2.5808 -6.223015      3.484308 
1 1 1 9  18 35 o 22.110  5.1677 4.7596   1.8398  21.317  6.7170 22.903  7.8550 -1.585989      10.33535 
1 1 1 9  18 37 o 47.656  2.7471 22.938   1.8495  46.201  3.8697 49.111  3.9003 -2.910881      5.494278 
1 1 1 9  18 39 o 84.500  1.9428 72.439   2.1907  86.160  2.1491 82.840  3.2372 3.320282       3.885665 
1 1 1 9  18 41 o 38.336  3.4670 15.324   1.8517  34.506  5.3663 42.167  4.3913 -7.661449      6.933963 
1 1 1 9  18 43 o 31.133  4.8216 10.676   1.9921  27.869  6.1231 34.396  7.4498 -6.526764      9.643262 
1 1 1 9  18 45 o 28.165  5.1847 9.4499   2.0374  28.745  6.1750 27.584  8.3302 1.161449       10.36932 
1 1 1 9  18 47 o 22.842  5.3430 6.2095   2.0113  19.262  7.0752 26.421  8.0083 -7.158833      10.68604 
1 1 1 9  18 49 o 16.466  4.9803 1.3089   2.1550  17.475  6.8238 15.457  7.2560 2.018766       9.960567 
1 1 1 9  19 0  o 78.880  2.6780 62.446   4.2141  78.880  2.6780 ?       ?      0.000000       0.000000 
1 1 1 9  19 2  o 271.628 2.3518 737.859  9.0293  274.927 3.3676 268.328 3.2838 6.598480       4.703589 
1 1 1 9  19 4  o 165.978 1.7968 275.664  4.2103  165.130 2.6293 166.826 2.4495 -1.695770      3.593551 
1 1 1 9  19 6  o 398.614 2.8491 1588.42  16.019  403.883 4.1736 393.344 3.8796 10.53946       5.698289 
1 1 1 9  19 8  o 269.409 2.2211 725.469  8.4398  272.542 3.2565 266.276 3.0214 6.266449       4.442198 
1 1 1 9  19 10 o 326.193 2.7028 1064.85  12.318  326.033 3.4664 326.353 4.1478 -0.3202209     5.405520 
1 1 1 9  19 12 o 322.242 2.3407 1039.41  10.660  320.653 3.3852 323.832 3.2336 -3.179260      4.681400 
1 1 1 9  19 14 o 171.230 1.7284 292.836  4.1625  173.592 2.5747 168.867 2.3065 4.724426       3.456745 
1 1 1 9  19 16 o 206.449 1.8269 427.689  5.2619  203.268 2.8271 209.630 2.3149 -6.362396      3.653896 
1 1 1 9  19 18 o 145.325 1.8160 209.078  3.5701  149.767 2.9417 140.884 2.1301 8.882553       3.631930 
1 1 1 9  19 20 o 326.128 2.6980 1065.17  12.368  325.887 3.5659 326.369 4.0497 -0.4820251     5.395912 
1 1 1 9  19 22 o 49.861  2.4498 24.883   1.7145  50.111  3.6951 49.611  3.2176 0.5004387      4.899655 
1 1 1 9  19 24 o 233.267 2.1212 544.881  6.7864  233.341 3.3931 233.194 2.5464 0.1469574      4.242325 
1 1 1 9  19 26 o 69.970  1.7744 49.007   1.7553  71.154  2.5126 68.785  2.5063 2.369225       3.548889 
1 1 1 9  19 28 o 96.694  1.5888 93.507   2.1634  95.842  2.1319 97.546  2.3564 -1.704704      3.177680 
1 1 1 9  19 30 o 74.607  1.9192 56.067   2.0067  71.817  2.9339 77.396  2.4749 -5.579453      3.838408 
1 1 1 9  19 32 o 51.749  2.8009 27.009   2.0432  54.155  3.7729 49.343  4.1408 4.811985       5.601871 
1 1 1 9  19 34 o 65.639  2.2722 43.310   2.1051  65.143  3.3325 66.134  3.0895 -0.9915619     4.544318 
1 1 1 9  19 36 o 57.662  2.2372 33.556   1.8192  59.385  3.0105 55.938  3.3102 3.447517       4.474463 
1 1 1 9  19 38 o 25.766  4.8735 7.1669   1.7923  25.995  6.2156 25.538  7.5080 0.4573383      9.746981 
1 1 1 9  19 40 o 23.668  5.2792 5.8704   2.0318  26.020  6.4129 21.316  8.3878 4.704021       10.55844 
1 1 1 9  19 42 o 37.534  4.6531 15.413   2.1727  37.840  4.5560 37.228  8.1147 0.6113052      9.306195 
1 1 1 9  19 44 o 14.935  4.6236 -0.2099  1.8701  12.787  5.8721 17.082  7.1434 -4.295451      9.247103 
1 1 1 9  19 46 o 21.097  5.4737 5.0852   2.1156  19.824  7.3186 22.369  8.1413 -2.544720      10.94731 
1 1 1 9  19 48 o 14.334  4.6927 -1.3938  2.2056  12.904  6.0514 15.764  7.1740 -2.859938      9.385406 
1 1 1 9  20 1  o 273.524 2.2613 748.324  8.7433  276.217 3.2362 270.831 3.1591 5.385681       4.522555 
1 1 1 9  20 3  o 298.138 2.3928 889.461  10.088  297.494 3.4126 298.781 3.3551 -1.287415      4.785669 
1 1 1 9  20 5  o 288.949 2.2267 835.307  9.0959  290.051 3.1920 287.847 3.1055 2.203766       4.453386 
1 1 1 9  20 7  o 315.175 2.3718 994.262  10.563  313.863 3.4380 316.486 3.2683 -2.623047      4.743628 
1 1 1 9  20 9  o 47.100  2.5908 22.220   1.7240  45.880  3.7576 48.320  3.5678 -2.440159      5.181577 
1 1 1 9  20 11 o 405.370 2.8573 1643.15  16.332  411.430 4.1902 399.310 3.8856 12.12051       5.714505 
1 1 1 9  20 13 o 234.089 1.9266 547.994  6.2952  234.865 2.9633 233.312 2.4630 1.552429       3.853244 
1 1 1 9  20 15 o 133.982 1.5119 179.154  2.7807  135.141 2.4096 132.824 1.8267 2.316879       3.023766 
1 1 1 9  20 17 o 193.510 1.9140 374.708  5.0387  193.537 3.1012 193.483 2.2440 0.5410767E-01  3.827933 
1 1 1 9  20 19 o 84.130  2.2245 70.425   2.6309  88.637  3.2416 79.622  3.0473 9.014763       4.449039 
1 1 1 9  20 21 o 279.749 2.4863 784.997  9.6623  277.920 3.8827 281.579 3.1066 -3.658600      4.972534 
1 1 1 9  20 23 o 193.337 2.0727 373.095  5.3882  195.097 3.4037 191.577 2.3664 3.520218       4.145432 
1 1 1 9  20 25 o 21.873  4.8330 4.7667   1.6380  22.490  7.2503 21.256  6.3927 1.234293       9.666081 
1 1 1 9  20 27 o 39.393  3.5041 15.617   1.9469  41.416  4.7793 37.370  5.1257 4.045124       7.008194 
1 1 1 9  20 29 o 109.579 1.6326 120.415  2.5120  110.465 2.1387 108.693 2.4672 1.772324       3.265141 
1 1 1 9  20 31 o 78.394  1.8711 61.526   2.0707  80.501  2.6967 76.287  2.5946 4.214302       3.742263 
1 1 1 9  20 33 o 21.864  4.7607 4.7533   1.7027  18.910  7.2358 24.818  6.1887 -5.908112      9.521387 
1 1 1 9  20 35 o 50.585  2.6325 25.804   1.8787  51.632  3.8336 49.539  3.6089 2.093719       5.265048 
1 1 1 9  20 37 o 23.169  6.2662 4.1166   2.5798  18.695  7.3094 27.643  10.180 -8.947647      12.53247 
1 1 1 9  20 39 o 30.329  6.0222 9.8860   2.3434  32.047  4.9809 28.611  10.966 3.436096       12.04431 
1 1 1 9  20 41 o 22.473  4.8731 5.5824   1.7513  24.838  6.1857 20.108  7.5315 4.730175       9.746123 
1 1 1 9  20 43 o 17.750  5.1460 1.2664   2.2348  19.874  7.3213 15.626  7.2336 4.248672       10.29207 
1 1 1 9  20 45 o 32.917  4.4795 12.459   2.0412  30.059  6.7506 35.774  5.8899 -5.715042      8.958909 
1 1 1 9  20 47 o 12.747  4.2461 -2.4716  1.9464  12.271  5.7262 13.224  6.2711 -0.9535370     8.492148 
1 1 1 9  21 0  o 301.027 3.5221 906.932  21.198  301.027 3.5221 ?       ?      0.000000       0.000000 
1 1 1 9  21 2  o 341.870 2.5824 1169.99  12.481  343.331 3.5893 340.409 3.7139 2.921783       5.164869 
1 1 1 9  21 4  o 292.952 2.3589 859.054  9.7654  291.748 3.4141 294.155 3.2560 -2.406830      4.717792 
1 1 1 9  21 6  o 360.123 2.5262 1298.08  12.865  362.408 3.5765 357.839 3.5687 4.569092       5.052431 
1 1 1 9  21 8  o 464.861 3.1421 2163.90  20.645  467.756 4.5183 461.967 4.3676 5.789032       6.284148 
1 1 1 9  21 10 o 152.493 1.6284 232.576  3.5106  149.626 2.3044 155.360 2.3015 -5.733673      3.256844 
1 1 1 9  21 12 o 204.723 1.8259 418.056  5.1978  207.764 2.8274 201.683 2.3111 6.080841       3.651738 
1 1 1 9  21 14 o 121.412 1.6072 147.242  2.7084  122.299 2.5060 120.525 2.0131 1.773422       3.214453 
1 1 1 9  21 16 o 69.896  2.2782 49.045   2.0188  69.511  3.9498 70.280  2.2713 -0.7690277     4.556302 
1 1 1 9  21 18 o 272.985 2.4230 746.261  9.3531  275.670 3.4280 270.299 3.4252 5.371124       4.845921 
1 1 1 9  21 20 o 183.394 2.0637 334.544  5.1265  186.870 3.3485 179.918 2.4132 6.952515       4.127485 
1 1 1 9  21 22 o 130.202 1.8767 169.012  3.2106  131.462 3.1570 128.942 2.0303 2.520706       3.753495 
1 1 1 9  21 24 o 137.872 1.6668 189.703  3.1533  139.400 2.6566 136.345 2.0137 3.054947       3.333560 
1 1 1 9  21 26 o 128.576 1.7443 165.722  3.1448  127.693 2.6502 129.458 2.2688 -1.764351      3.488658 
1 1 1 9  21 28 o 72.884  2.2298 53.271   2.2968  73.973  3.1937 71.796  3.1126 2.176277       4.459636 
1 1 1 9  21 30 o 89.207  2.0511 79.903   2.5855  90.392  2.8255 88.022  2.9741 2.369873       4.102294 
1 1 1 9  21 32 o 81.434  1.9967 66.335   2.2827  83.331  2.9883 79.538  2.6491 3.792274       3.993466 
1 1 1 9  21 34 o 126.481 1.9910 160.987  3.4177  126.800 2.3163 126.162 3.2390 0.6374817      3.982046 
1 1 1 9  21 36 o 37.752  4.3586 16.789   1.8475  45.399  3.2348 30.105  8.0949 15.29379       8.717292 
1 1 1 9  21 38 o 32.431  4.9791 11.395   2.1180  33.336  5.1715 31.527  8.5101 1.809111       9.958218 
1 1 1 9  21 40 o 24.610  4.7264 6.6587   1.7787  19.033  6.8347 30.188  6.5300 -11.15537      9.452749 
1 1 1 9  21 42 o 46.754  3.7561 22.914   2.4099  43.128  4.7376 50.380  5.8300 -7.251804      7.512179 
1 1 1 9  21 44 o 34.341  3.8383 13.066   1.8192  32.211  5.7581 36.472  5.0770 -4.260433      7.676696 
1 1 1 9  21 46 o 39.071  4.1649 17.592   2.2056  32.739  6.2696 45.404  5.4844 -12.66582      8.329860 
1 1 1 9  22 1  f 190.553 1.8028 363.435  4.8451  191.395 2.4353 189.711 2.6589 1.683594       3.605612 
1 1 1 9  22 3  o 168.115 1.8131 282.818  4.3097  167.145 2.5976 169.084 2.5301 -1.938416      3.626169 
1 1 1 9  22 5  o 181.643 1.8766 330.073  4.8188  182.994 2.6867 180.292 2.6207 2.702072       3.753186 
1 1 1 9  22 7  f 217.763 1.9390 474.649  5.9698  215.695 2.7826 219.831 2.7012 -4.136002      3.878066 
1 1 1 9  22 9  o 184.816 1.7115 341.925  4.4659  186.080 2.3333 183.551 2.5046 2.528412       3.423069 
1 1 1 9  22 11 o 253.154 2.1241 640.848  7.5719  255.348 3.1507 250.961 2.8495 4.386658       4.248135 
1 1 1 9  22 13 o 116.832 1.6696 136.630  2.7218  116.579 2.5742 117.084 2.1268 -0.5043564     3.339133 
1 1 1 9  22 15 o 167.771 1.7833 281.234  4.1667  169.089 2.7566 166.453 2.2632 2.636612       3.566632 
1 1 1 9  22 17 o 85.032  1.9400 72.399   2.3301  88.072  2.6824 81.992  2.8035 6.079926       3.880070 
1 1 1 9  22 19 o 143.293 1.8884 204.960  3.7216  144.829 2.9979 141.758 2.2971 3.071106       3.776814 
1 1 1 9  22 21 o 66.933  2.2364 44.026   2.0123  70.386  3.6286 63.480  2.6152 6.906322       4.472763 
1 1 1 9  22 23 o 106.828 1.7783 113.234  2.6270  110.693 2.7688 102.962 2.2325 7.731018       3.556679 
1 1 1 9  22 25 o 55.234  2.3342 30.245   1.7744  57.522  3.6631 52.947  2.8942 4.575111       4.668485 
1 1 1 9  22 27 f 66.544  2.1854 44.166   1.8973  67.356  3.6971 65.732  2.3313 1.623726       4.370718 
1 1 1 9  22 29 o 96.587  2.1760 93.617   2.9660  101.499 3.0195 91.676  3.1342 9.823738       4.352092 
1 1 1 9  22 31 o 119.367 2.1399 143.080  3.5027  119.411 2.5666 119.323 3.4247 0.8815765E-01  4.279711 
1 1 1 9  22 33 o 47.843  3.2251 23.264   2.1540  48.174  4.1087 47.512  4.9723 0.6621742      6.450269 
1 1 1 9  22 35 o 17.459  4.9636 1.7077   1.8181  16.595  6.4431 18.322  7.5522 -1.726793      9.927155 
1 1 1 9  22 37 o 56.918  2.6892 33.177   2.1156  58.428  3.2784 55.409  4.2637 3.019165       5.378424 
1 1 1 9  22 39 o 50.366  2.6997 26.070   1.8964  50.069  3.4432 50.663  4.1590 -0.5938263     5.399325 
1 1 1 9  22 41 o 42.088  3.6397 18.656   2.1409  39.301  4.8739 44.875  5.4068 -5.573765      7.279376 
1 1 1 9  22 43 o 35.342  5.0820 15.448   2.3440  41.228  4.8010 29.456  8.9586 11.77253       10.16398 
1 1 1 9  22 45 o 43.031  3.4783 20.523   2.0993  43.827  4.5163 42.235  5.2913 1.592442       6.956646 
1 1 1 9  22 47 o 16.798  5.2922 1.2835   2.4538  13.738  6.3799 19.857  8.4455 -6.118402      10.58440 
1 1 1 9  23 0  o 211.833 2.7138 449.124  11.493  211.833 2.7138 ?       ?      0.000000       0.000000 
1 1 1 9  23 2  o 250.077 2.1124 625.777  7.4656  248.423 2.9301 251.730 3.0438 -3.307312      4.224894 
1 1 1 9  23 4  o 97.608  1.6885 95.328   2.3301  97.640  2.4196 97.576  2.3557 0.6382751E-01  3.376952 
1 1 1 9  23 6  f 134.712 1.6760 181.591  3.1925  133.527 2.3909 135.897 2.3492 -2.369888      3.351919 
1 1 1 9  23 8  o 179.127 1.8653 321.104  4.7249  177.933 2.6555 180.321 2.6203 -2.388260      3.730604 
1 1 1 9  23 10 o 121.709 1.8362 147.814  3.1448  124.667 2.7145 118.751 2.4733 5.915855       3.672315 
1 1 1 9  23 12 o 66.711  2.0656 44.421   1.9344  68.045  3.0966 65.377  2.7346 2.668648       4.131213 
1 1 1 9  23 14 f 121.620 1.8865 147.520  3.0648  122.727 3.1216 120.514 2.1193 2.212616       3.773017 
1 1 1 9  23 16 f 231.684 2.2125 537.673  7.2469  234.249 3.0801 229.120 3.1769 5.128983       4.424918 
1 1 1 9  23 18 o 188.796 2.0689 357.081  5.5229  190.151 2.8878 187.442 2.9636 2.709198       4.137881 
1 1 1 9  23 20 o 98.905  2.0672 95.842   2.5250  102.497 3.6131 95.312  2.0097 7.185310       4.134426 
1 1 1 9  23 22 f 105.753 1.8075 111.738  2.6270  106.578 2.8757 104.927 2.1907 1.650574       3.615042 
1 1 1 9  23 24 o 162.712 1.8887 265.085  4.3268  163.811 2.8064 161.613 2.5285 2.198303       3.777488 
1 1 1 9  23 26 o 94.577  1.8861 89.512   2.5120  96.215  2.7872 92.938  2.5420 3.276718       3.772286 
1 1 1 9  23 28 o 84.386  1.9862 70.336   2.2779  88.414  3.1776 80.358  2.3837 8.055679       3.972303 
1 1 1 9  23 30 o 68.443  2.5530 46.679   2.3882  70.564  4.0719 66.322  3.0808 4.242508       5.105997 
1 1 1 9  23 32 o 69.436  2.2826 48.645   2.2275  70.156  3.0034 68.716  3.4380 1.440277       4.565125 
1 1 1 9  23 34 o 36.334  4.3910 13.899   2.2024  34.147  6.5928 38.520  5.8016 -4.372807      8.781962 
1 1 1 9  23 36 o 47.900  3.3997 23.873   2.2555  50.730  4.1535 45.071  5.3834 5.659477       6.799401 
1 1 1 9  23 38 f 17.231  5.1352 1.1474   2.1385  17.004  7.1891 17.458  7.3349 -0.4537487     10.27049 
1 1 1 9  23 40 o 31.278  4.6473 10.970   2.0352  26.101  7.1364 36.455  5.9550 -10.35416      9.294630 
1 1 1 9  23 42 o 49.573  3.3775 26.548   2.3091  51.776  4.0696 47.371  5.3915 4.404789       6.755033 
1 1 1 9  23 44 o 22.955  5.3420 6.6587   1.9702  21.992  6.9864 23.918  8.0833 -1.926023      10.68409 
1 1 1 9  23 46 o 31.172  5.8311 13.941   2.6463  27.347  8.4726 34.997  8.0138 -7.650700      11.66215 
1 1 1 9  24 1  o 191.240 1.8769 365.988  5.0759  191.140 2.6390 191.339 2.6696 -0.1985931     3.753824 
1 1 1 9  24 3  o 225.431 2.0461 508.565  6.4902  225.187 2.7220 225.674 3.0557 -0.4868317     4.092247 
1 1 1 9  24 5  o 144.762 1.6541 209.670  3.3793  144.891 2.4237 144.633 2.2515 0.2582092      3.308108 
1 1 1 9  24 7  o 115.175 1.7252 132.744  2.8080  115.201 2.4941 115.149 2.3844 0.5181122E-01  3.450484 
1 1 1 9  24 9  o 86.503  1.9099 74.910   2.3196  86.387  2.8826 86.619  2.5063 -0.2323456     3.819787 
1 1 1 9  24 11 o 104.295 1.7646 108.900  2.5540  104.132 2.7593 104.457 2.2005 -0.3253021     3.529288 
1 1 1 9  24 13 f 65.576  2.6648 43.374   2.2714  64.622  4.5451 66.530  2.7832 -1.907829      5.329538 
1 1 1 9  24 15 o 121.429 1.9534 147.418  3.3372  123.074 2.9053 119.784 2.6119 3.289894       3.906748 
1 1 1 9  24 17 o 137.409 1.9567 189.209  3.7967  136.195 2.8598 138.623 2.6715 -2.427231      3.913478 
1 1 1 9  24 19 o 43.790  3.2045 19.188   1.9711  47.715  4.4160 39.865  4.6449 7.850021       6.409030 
1 1 1 9  24 21 o 63.072  2.5804 39.848   2.1907  63.289  4.2372 62.854  2.9460 0.4354515      5.160722 
1 1 1 9  24 23 o 75.394  2.0477 56.690   2.1240  76.847  3.2404 73.942  2.5042 2.905159       4.095302 
1 1 1 9  24 25 o 124.148 1.8101 154.405  3.1216  124.525 2.8201 123.771 2.2699 0.7540131      3.620141 
1 1 1 9  24 27 o 98.445  1.8641 95.804   2.4973  102.861 2.9796 94.029  2.2409 8.831810       3.728180 
1 1 1 9  24 29 o 53.383  2.8619 27.503   1.9289  57.491  4.8867 49.275  2.9803 8.216114       5.723855 
1 1 1 9  24 31 o 40.963  3.1798 16.346   1.7438  45.334  5.0704 36.593  3.8388 8.741436       6.359645 
1 1 1 9  24 33 o 43.186  3.0503 19.080   1.8495  44.987  3.9740 41.384  4.6286 3.603424       6.100581 
1 1 1 9  24 35 o 49.747  3.1344 25.553   2.1690  55.807  4.0045 43.687  4.8231 12.12045       6.268848 
1 1 1 9  24 37 o 46.100  3.2409 22.168   2.0993  46.426  4.2635 45.774  4.8822 0.6520996      6.481762 
1 1 1 9  24 39 o 43.280  3.5957 19.694   2.1654  41.055  4.6657 45.505  5.4723 -4.449814      7.191340 
1 1 1 9  24 41 o 19.480  5.1124 3.7246   1.8815  16.061  6.5460 22.898  7.8548 -6.836796      10.22486 
1 1 1 9  24 43 o 23.356  5.7499 7.0287   2.3906  25.647  8.0563 21.065  8.2061 4.581608       11.49979 
1 1 1 9  24 45 o 16.246  4.9762 0.8051   2.1802  12.409  5.8926 20.083  8.0203 -7.674685      9.952328 
1 1 1 9  25 0  o 142.055 2.8793 202.150  8.1729  142.055 2.8793 ?       ?      0.000000       0.000000 
1 1 1 9  25 2  o 157.611 1.8474 248.378  4.1122  160.218 2.6701 155.003 2.5540 5.215240       3.694887 
1 1 1 9  25 4  o 208.155 1.8348 433.773  5.3861  207.565 2.7070 208.746 2.4776 -1.180862      3.669677 
1 1 1 9  25 6  o 177.705 1.7278 315.936  4.3381  178.887 2.4985 176.524 2.3873 2.363007       3.455687 
1 1 1 9  25 8  o 249.421 2.1720 622.609  7.6573  252.971 3.1046 245.870 3.0384 7.100220       4.343966 
1 1 1 9  25 10 o 92.366  1.8714 84.968   2.3658  93.940  2.9907 90.791  2.2505 3.148880       3.742798 
1 1 1 9  25 12 o 65.333  2.4081 42.658   2.1469  65.897  3.8758 64.768  2.8589 1.128479       4.816115 
1 1 1 9  25 14 o 43.182  3.8183 18.674   2.3091  42.024  5.0140 44.340  5.7600 -2.316673      7.636610 
1 1 1 9  25 16 o 83.846  1.9788 70.568   2.3091  82.957  3.0787 84.735  2.4867 -1.778168      3.957526 
1 1 1 9  25 18 o 47.321  2.9729 22.448   1.8590  47.420  4.9820 47.221  3.2452 0.1984138      5.945733 
1 1 1 9  25 20 o 112.614 1.9947 127.411  3.1448  110.811 3.0539 114.417 2.5670 -3.606216      3.989482 
1 1 1 9  25 22 o 132.637 1.8803 175.679  3.4549  134.785 2.9371 130.489 2.3487 4.296295       3.760695 
1 1 1 9  25 24 o 58.055  2.6680 33.862   2.0318  58.146  4.5022 57.964  2.8641 0.1825104      5.335989 
1 1 1 9  25 26 o 86.100  2.1339 74.336   2.5540  86.654  3.3158 85.547  2.6870 1.106529       4.267827 
1 1 1 9  25 28 o 61.534  2.6129 38.420   2.1892  60.117  4.2484 62.951  3.0429 -2.833733      5.225730 
1 1 1 9  25 30 o 27.081  5.2980 7.0686   1.9831  34.199  8.2895 19.964  6.6000 14.23515       10.59601 
1 1 1 9  25 32 o 20.193  5.7770 2.3173   2.4294  21.073  8.9716 19.313  7.2806 1.759628       11.55407 
1 1 1 9  25 34 o 50.572  2.8350 26.282   2.0067  48.374  4.3558 52.771  3.6299 -4.397011      5.670039 
1 1 1 9  25 36 o 43.574  3.5773 19.977   2.1987  43.694  5.2607 43.453  4.8490 0.2407112      7.154613 
1 1 1 9  25 38 o 27.366  5.2221 8.6326   1.9921  25.882  6.4338 28.851  8.2272 -2.968481      10.44413 
1 1 1 9  25 40 o 44.349  3.6305 21.288   2.2447  44.282  4.6141 44.416  5.6065 -0.1338310     7.261049 
1 1 1 9  25 42 o 23.627  5.3406 7.0550   2.0746  26.775  7.5465 20.478  7.5589 6.296244       10.68113 
1 1 1 9  25 44 o 13.950  4.6333 -2.0173  2.3003  13.684  6.2875 14.215  6.8072 -0.5302858     9.266606 
1 1 1 9  26 1  o 133.093 2.0014 177.299  3.7661  131.368 2.8190 134.817 2.8416 -3.448807      4.002742 
1 1 1 9  26 3  o 253.879 2.4721 645.490  8.8679  251.880 3.4222 255.877 3.5684 -3.996811      4.944145 
1 1 1 9  26 5  o 88.136  2.0742 77.694   2.5824  86.003  2.8954 90.268  2.9708 -4.265106      4.148426 
1 1 1 9  26 7  o 108.726 1.9325 118.296  2.9605  108.029 2.6006 109.423 2.8593 -1.393539      3.865047 
1 1 1 9  26 9  o 175.147 1.8318 307.298  4.5298  173.992 2.6789 176.302 2.4989 -2.309753      3.663500 
1 1 1 9  26 11 o 85.711  2.0008 73.401   2.4196  88.832  2.8751 82.589  2.7832 6.242569       4.001549 
1 1 1 9  26 13 o 46.733  3.6245 21.970   2.3940  47.147  5.0109 46.320  5.2382 0.8267784      7.248977 
1 1 1 9  26 15 o 173.928 2.1151 303.699  5.1333  171.900 3.2687 175.956 2.6853 -4.055527      4.230248 
1 1 1 9  26 17 f 174.518 2.2726 306.620  5.3011  172.552 3.7744 176.484 2.5325 -3.932022      4.545293 
1 1 1 9  26 19 o 103.610 2.0487 107.576  2.9955  104.461 2.9951 102.759 2.7961 1.701401       4.097401 
1 1 1 9  26 21 o 78.886  2.1779 62.510   2.4263  81.274  2.9854 76.498  3.1717 4.775459       4.355712 
1 1 1 9  26 23 o 50.108  3.7066 24.930   2.4121  52.050  6.2562 48.166  3.9769 3.884602       7.413231 
1 1 1 9  26 25 o 117.573 1.9535 138.188  3.1533  119.114 3.1091 116.031 2.3662 3.083054       3.907081 
1 1 1 9  26 27 o 71.422  2.7150 51.640   2.4802  70.938  4.6804 71.906  2.7527 -0.9677734     5.429902 
1 1 1 9  26 29 f 41.933  3.7646 17.837   2.0188  42.448  6.4681 41.419  3.8539 1.028278       7.529235 
1 1 1 9  26 31 o 70.260  2.7188 50.056   2.5386  70.484  4.5294 70.035  3.0086 0.4489670      5.437572 
1 1 1 9  26 33 o 23.059  5.6742 5.0633   2.3242  21.168  8.9905 24.951  6.9251 -3.783234      11.34842 
1 1 1 9  26 35 o 30.732  4.7431 10.642   2.0067  33.452  6.5318 28.012  6.8791 5.439655       9.486109 
1 1 1 9  26 37 o 26.638  5.0715 8.4830   2.1892  33.055  6.0175 20.220  8.1652 12.83482       10.14303 
1 1 1 9  26 39 o 16.573  5.3833 -1.7018  2.8483  16.962  7.9599 16.184  7.2497 0.7772236      10.76659 
1 1 1 9  26 41 o 20.323  5.4324 4.5706   2.2543  18.189  7.8600 22.457  7.5010 -4.267807      10.86487 
1 1 1 9  26 43 o 18.597  5.4581 3.7965   2.3469  17.193  7.2845 20.002  8.1301 -2.808439      10.91621 
1 1 1 9  27 0  o 273.141 3.2738 747.178  17.878  273.141 3.2738 ?       ?      0.000000       0.000000 
1 1 1 9  27 2  o 189.172 2.0443 357.264  5.4053  192.650 3.1155 185.693 2.6476 6.957687       4.088532 
1 1 1 9  27 4  o 73.030  2.3372 53.737   2.3837  70.658  3.6146 75.401  2.9638 -4.742577      4.674370 
1 1 1 9  27 6  o 119.601 1.9308 143.431  3.2451  118.523 2.9091 120.680 2.5396 -2.157394      3.861666 
1 1 1 9  27 8  f 139.286 2.0422 194.361  4.0226  138.782 2.8985 139.791 2.8776 -1.008514      4.084313 
1 1 1 9  27 10 o 45.303  3.3826 20.701   2.1004  44.641  5.4352 45.965  4.0284 -1.324089      6.765271 
1 1 1 9  27 12 o 106.935 2.4489 114.603  3.7022  104.969 3.4672 108.900 3.4593 -3.931610      4.897762 
1 1 1 9  27 14 o 119.451 2.1971 141.066  3.5932  124.934 3.4753 113.969 2.6892 10.96455       4.394250 
1 1 1 9  27 16 o 80.998  2.3112 65.575   2.4437  81.608  3.9120 80.388  2.4623 1.220078       4.622382 
1 1 1 9  27 18 o 79.852  2.3708 63.559   2.4621  81.015  4.0195 78.689  2.5154 2.325790       4.741691 
1 1 1 9  27 20 o 35.099  3.9751 12.891   1.6937  33.685  7.0513 36.514  3.6722 -2.829102      7.950221 
1 1 1 9  27 22 o 96.933  2.2953 93.972   2.8733  97.775  3.9182 96.092  2.3921 1.683655       4.590690 
1 1 1 9  27 24 o 84.065  2.3392 71.250   2.4978  83.533  4.0512 84.598  2.3397 -1.064865      4.678314 
1 1 1 9  27 26 o 36.977  5.4165 14.719   2.5150  35.181  9.5548 38.773  5.1050 -3.592346      10.83300 
1 1 1 9  27 28 o 76.937  2.5176 60.440   2.4294  75.389  4.4041 78.484  2.4406 -3.094849      5.035152 
1 1 1 9  27 30 o 37.463  4.5647 14.632   2.1213  38.413  7.9168 36.514  4.5465 1.899521       9.129417 
1 1 1 9  27 32 o 30.210  5.3541 10.541   2.2566  27.640  8.8203 32.780  6.0717 -5.139540      10.70811 
1 1 1 9  27 34 o 26.135  6.0821 7.3008   2.3547  31.550  9.8582 20.720  7.1262 10.82943       12.16418 
1 1 1 9  27 36 o 21.219  5.5072 4.8034   2.1691  20.596  8.2875 21.842  7.2550 -1.245319      11.01440 
1 1 1 9  27 38 o 17.615  5.3381 1.3756   2.2695  17.160  6.7895 18.069  8.2392 -0.9090919     10.67624 
1 1 1 9  27 40 o 22.596  5.6900 6.0953   2.4836  17.377  7.4875 27.816  8.5697 -10.43812      11.37997 
1 1 1 9  27 42 o 20.944  5.5425 5.9390   2.2303  20.243  8.1690 21.645  7.4930 -1.402397      11.08498 
1 1 1 9  28 1  o 256.819 2.3831 661.151  8.6460  256.480 3.4604 257.157 3.2775 -0.6775208     4.766145 
1 1 1 9  28 3  o 292.223 2.5652 856.127  10.593  292.969 3.7050 291.477 3.5487 1.491791       5.130386 
1 1 1 9  28 5  o 95.709  2.0289 91.746   2.7441  95.872  2.9304 95.546  2.8067 0.3262329      4.057707 
1 1 1 9  28 7  o 123.707 2.0589 153.233  3.5198  123.912 3.2463 123.501 2.5333 0.4105835      4.117796 
1 1 1 9  28 9  o 107.346 2.4823 115.539  3.7628  107.752 3.6147 106.940 3.4033 0.8115616      4.964684 
1 1 1 9  28 11 o 90.026  3.1416 82.164   3.8518  87.445  5.1112 92.608  3.6542 -5.162956      6.283150 
1 1 1 9  28 13 o 133.354 2.6865 178.844  4.7241  132.894 4.5163 133.814 2.9107 -0.9200439     5.372999 
1 1 1 9  28 15 o 85.068  2.4875 73.802   2.5250  82.972  4.4634 87.164  2.1976 -4.192856      4.975045 
1 1 1 9  28 17 o 39.584  4.2334 15.881   2.0523  40.318  7.4030 38.850  4.1088 1.468315       8.466800 
1 1 1 9  28 19 o 58.726  3.3329 34.654   2.6728  59.715  5.3463 57.738  3.9811 1.977455       6.665743 
1 1 1 9  28 21 o 117.628 2.2353 138.865  3.5712  117.893 3.6287 117.362 2.6114 0.5307846      4.470684 
1 1 1 9  28 23 o 101.126 2.9995 101.850  3.2732  102.620 5.5376 99.632  2.3071 2.988281       5.998976 
1 1 1 9  28 25 o 38.879  5.2075 16.575   2.4463  35.654  9.3688 42.104  4.5495 -6.449394      10.41506 
1 1 1 9  28 27 o 16.300  5.0845 -1.0406  2.2520  16.598  7.6048 16.001  6.7509 0.5972195      10.16899 
1 1 1 9  28 29 o 22.526  5.2229 4.9709   2.0188  19.902  8.2989 25.149  6.3438 -5.246239      10.44585 
1 1 1 9  28 31 o 39.825  5.1278 18.830   2.2843  34.389  9.5221 45.262  3.8088 -10.87341      10.25562 
1 1 1 9  28 33 o 41.237  4.5685 20.209   2.1550  34.461  8.4019 48.012  3.5907 -13.55076      9.136991 
1 1 1 9  28 35 o 60.655  3.0794 38.921   2.5930  59.492  4.8297 61.819  3.8216 -2.327072      6.158802 
1 1 1 9  28 37 o 20.339  5.3280 4.4935   2.0113  18.266  6.9901 22.412  8.0429 -4.145332      10.65601 
1 1 1 9  28 39 o 27.212  5.7107 10.060   2.3440  28.429  6.9999 25.994  9.0249 2.434717       11.42137 
1 1 1 9  28 41 o 15.758  4.9824 0.6745   2.2303  13.379  6.2018 18.137  7.7996 -4.757955      9.964729 
1 1 1 9  29 0  o 57.613  4.3721 33.841   4.9803  57.613  4.3721 ?       ?      0.000000       0.000000 
1 1 1 9  29 2  o 55.089  3.2409 30.535   2.5217  54.042  4.7260 56.136  4.4360 -2.093716      6.481734 
1 1 1 9  29 4  o 70.800  3.1065 50.814   3.0316  68.238  4.9592 73.361  3.7425 -5.123222      6.212925 
1 1 1 9  29 6  o 107.845 2.0826 116.684  3.1345  107.348 3.2119 108.342 2.6520 -0.9945526     4.165291 
1 1 1 9  29 8  o 213.255 3.4866 459.516  10.452  207.662 5.2578 218.847 4.5806 -11.18488      6.973246 
1 1 1 9  29 10 o 177.292 2.1010 315.296  5.2675  177.181 2.9911 177.403 2.9513 -0.2227020     4.201993 
1 1 1 9  29 12 o 70.867  2.9598 50.284   2.9522  74.706  4.2734 67.027  4.0962 7.679024       5.919569 
1 1 1 9  29 14 o 75.626  2.5960 57.137   2.6505  76.943  4.2322 74.308  3.0074 2.634155       5.191931 
1 1 1 9  29 16 o 73.242  2.6692 53.646   2.5781  74.270  4.4705 72.214  2.9178 2.055443       5.338442 
1 1 1 9  29 18 o 155.018 2.4983 243.769  4.9424  152.177 4.3217 157.858 2.5078 -5.680527      4.996572 
1 1 1 9  29 20 o 163.674 2.3498 272.579  5.1488  158.423 3.9095 168.926 2.6081 -10.50226      4.699557 
1 1 1 9  29 22 o 47.207  3.6015 24.156   2.0188  42.074  6.5255 52.340  3.0498 -10.26551      7.203047 
1 1 1 9  29 24 o 51.591  3.7020 27.173   2.5386  51.778  6.1658 51.405  4.0990 0.3729515      7.404010 
1 1 1 9  29 26 o 18.169  5.3561 1.2628   2.1851  19.276  8.2310 17.063  6.8557 2.213186       10.71213 
1 1 1 9  29 28 o 48.926  3.1060 24.876   1.9921  47.183  5.2777 50.668  3.2764 -3.485092      6.212008 
1 1 1 9  29 30 o 23.527  5.5547 5.8104   2.0188  27.079  8.8343 19.975  6.7361 7.104080       11.10947 
1 1 1 9  29 32 o 31.707  5.0761 10.991   2.0523  35.041  8.3140 28.373  5.8261 6.667973       10.15217 
1 1 1 9  29 34 o 20.328  5.3118 4.1221   2.0188  19.511  8.2255 21.146  6.7232 -1.635090      10.62358 
1 1 1 9  29 36 o 17.822  5.2295 2.1450   2.2024  19.700  7.7505 15.943  7.0227 3.757146       10.45895 
1 1 1 9  29 38 o 27.075  5.8208 10.134   2.4246  26.184  8.1560 27.967  8.3070 -1.783470      11.64157 
1 1 1 9  29 40 o 18.044  5.3689 3.4269   2.3266  18.651  7.7908 17.437  7.3895 1.214176       10.73784 
1 1 1 9  30 1  o 158.892 2.1306 252.930  4.7811  155.035 2.9653 162.750 3.0601 -7.715118      4.261139 
1 1 1 9  30 3  o 53.164  4.1703 28.996   3.0169  50.624  6.8109 55.705  4.8141 -5.081409      8.340508 
1 1 1 9  30 5  o 51.478  4.1637 26.964   2.9996  46.530  6.3123 56.426  5.4316 -9.895649      8.327479 
1 1 1 9  30 7  o 33.857  6.6921 12.089   3.3372  30.557  9.3593 37.157  9.5677 -6.599634      13.38419 
1 1 1 9  30 9  f 25.230  5.7070 6.3168   2.3266  27.759  8.1883 22.702  7.9518 5.056442       11.41399 
1 1 1 9  30 11 o 66.226  3.1708 44.190   2.5798  66.208  5.5935 66.245  2.9879 -0.3701782E-01 6.341511 
1 1 1 9  30 13 o 208.236 2.4546 434.035  7.0287  211.652 3.8916 204.820 2.9927 6.832047       4.909278 
1 1 1 9  30 15 o 175.069 2.0678 307.771  5.0881  174.680 3.1070 175.458 2.7293 -0.7784424     4.135514 
1 1 1 9  30 17 o 62.896  3.0793 39.278   2.5781  65.448  5.0731 60.345  3.4917 5.102940       6.158607 
1 1 1 9  30 19 o 87.678  2.2350 77.108   2.6728  88.778  3.5961 86.579  2.6549 2.199280       4.469955 
1 1 1 9  30 21 o 73.914  2.7424 55.685   2.6450  72.524  4.6662 75.305  2.8828 -2.780846      5.484868 
1 1 1 9  30 23 o 41.080  3.8171 17.435   2.1033  40.411  6.3202 41.749  4.2823 -1.338593      7.634294 
1 1 1 9  30 25 o 57.854  2.7338 33.976   2.1246  58.209  4.4974 57.498  3.1093 0.7108345      5.467564 
1 1 1 9  30 27 o 16.335  5.0867 -0.3094  2.2123  17.477  7.7034 15.193  6.6450 2.283465       10.17344 
1 1 1 9  30 29 o 17.876  5.5433 0.6042   2.3547  20.654  8.9742 15.098  6.5096 5.556079       11.08652 
1 1 1 9  30 31 o 22.793  5.4939 5.7313   2.0318  24.007  8.5865 21.579  6.8558 2.427549       10.98775 
1 1 1 9  30 33 f 23.256  6.4680 5.6610   2.8910  26.797  10.299 19.716  7.8275 7.080988       12.93608 
1 1 1 9  30 35 f 19.338  5.7509 2.4844   2.7862  17.508  7.9652 21.168  8.2975 -3.660385      11.50185 
1 1 1 9  30 37 o 16.233  5.4176 -0.6556  2.5435  13.379  6.0860 19.087  8.9646 -5.707650      10.83527 
1 1 1 9  31 0  o 74.957  3.5089 56.699   5.2357  74.957  3.5089 ?       ?      0.000000       0.000000 
1 1 1 9  31 2  o 78.290  2.4047 61.336   2.6033  79.585  3.7708 76.995  2.9854 2.589836       4.809492 
1 1 1 9  31 4  o 27.087  6.4490 7.0195   2.9922  25.007  9.6033 29.166  8.6100 -4.159382      12.89791 
1 1 1 9  31 6  o 33.040  5.5580 11.504   2.4621  31.511  9.5279 34.570  5.7257 -3.058437      11.11597 
1 1 1 9  31 8  o 58.660  3.6728 35.537   2.8483  55.546  6.2073 61.774  3.9277 -6.228058      7.345631 
1 1 1 9  31 10 o 60.380  2.9100 36.283   2.4492  64.338  4.3667 56.423  3.8476 7.915077       5.819963 
1 1 1 9  31 12 o 97.700  2.1133 96.156   2.8964  95.325  3.2151 100.074 2.7435 -4.749786      4.226593 
1 1 1 9  31 14 o 24.511  5.7946 5.9329   2.3469  24.883  8.5206 24.140  7.8556 0.7432003      11.58923 
1 1 1 9  31 16 o 72.406  2.5411 53.330   2.4053  70.990  4.3173 73.823  2.6812 -2.832886      5.082101 
1 1 1 9  31 18 o 65.746  2.9432 44.035   2.5109  64.781  5.0267 66.710  3.0628 -1.929276      5.886347 
1 1 1 9  31 20 o 28.999  5.1514 9.2228   2.4121  20.987  8.9084 37.010  5.1756 -16.02314      10.30272 
1 1 1 9  31 22 o 25.972  5.5579 7.1938   2.1692  24.246  9.2561 27.698  6.1551 -3.452665      11.11583 
1 1 1 9  31 24 o 20.111  5.7345 2.6562   2.1454  22.413  9.4150 17.810  6.5496 4.603325       11.46907 
1 1 1 9  31 26 o 20.695  5.9938 2.9701   2.5798  22.240  9.4720 19.151  7.3474 3.089436       11.98757 
1 1 1 9  31 28 o 50.637  3.9618 26.785   2.5481  52.567  6.8020 48.706  4.0639 3.861794       7.923537 
1 1 1 9  31 30 o 36.927  5.2677 15.449   2.4978  39.008  8.8730 34.847  5.6802 4.160961       10.53544 
1 1 1 9  31 32 o 19.646  5.9286 1.9057   2.7785  24.136  9.6456 15.157  6.8961 8.979952       11.85721 
1 1 1 9  31 34 o 17.961  5.5110 0.5508   2.5633  22.712  9.0926 13.209  6.2297 9.503114       11.02202 
1 1 1 9  31 36 o 17.122  5.6082 -0.1035  2.7879  21.151  9.3501 13.093  6.1955 8.058487       11.21646 
1 1 1 9  32 1  o 80.690  2.7416 65.494   3.1235  79.486  3.7755 81.894  3.9763 -2.407501      5.483181 
1 1 1 9  32 3  o 42.760  4.0421 18.651   2.4196  41.159  6.2053 44.361  5.1816 -3.202312      8.084263 
1 1 1 9  32 5  o 23.986  5.8630 5.4222   2.4112  24.409  8.6009 23.563  7.9703 0.8464222      11.72605 
1 1 1 9  32 7  o 62.091  3.2094 39.013   2.8094  59.263  4.7406 64.919  4.3276 -5.655846      6.418803 
1 1 1 9  32 9  o 36.249  4.1537 13.877   1.9865  33.248  6.9474 39.250  4.5550 -6.001732      8.307471 
1 1 1 9  32 11 o 64.198  3.0759 41.472   2.7155  65.571  4.8688 62.826  3.7603 2.744690       6.151867 
1 1 1 9  32 13 o 82.917  2.4933 69.597   2.8880  81.357  3.8456 84.476  3.1745 -3.119301      4.986611 
1 1 1 9  32 15 o 67.899  2.6855 47.277   2.4894  64.336  4.3668 71.463  3.1272 -7.127228      5.371068 
1 1 1 9  32 17 o 43.600  3.7539 20.319   2.1033  39.172  6.5200 48.027  3.7225 -8.855476      7.507826 
1 1 1 9  32 19 o 45.601  3.6701 21.127   2.2042  46.829  6.1356 44.373  4.0291 2.456440       7.340250 
1 1 1 9  32 21 o 56.167  3.2932 29.773   2.1567  62.478  5.8252 49.855  3.0737 12.62289       6.586405 
1 1 1 9  32 23 o 16.413  5.1743 -0.6640  2.2986  18.364  8.0842 14.462  6.4607 3.902385       10.34865 
1 1 1 9  32 25 o 17.013  5.0674 0.5935   2.1367  16.223  7.4693 17.804  6.8501 -1.581089      10.13475 
1 1 1 9  32 27 o 42.279  4.8364 18.778   2.3046  44.764  8.7270 39.795  4.1717 4.968960       9.672838 
1 1 1 9  32 29 o 30.722  5.3640 11.834   2.4121  24.340  9.4042 37.104  5.1625 -12.76423      10.72799 
1 1 1 9  32 31 o 14.732  4.8065 -1.8655  2.0358  18.908  8.1562 10.556  5.0877 8.351544       9.612925 
1 1 1 9  32 33 o 22.039  5.7867 5.9594   2.2986  21.933  9.2308 22.145  6.9811 -0.2119694     11.57341 
1 1 1 9  32 35 o 17.542  5.4551 1.3792   2.5170  17.560  8.5098 17.524  6.8276 0.3677559E-01  10.91023 
1 1 1 9  33 0  f 43.359  5.8009 19.411   4.9803  43.359  5.8009 ?       ?      0.000000       0.000000 
1 1 1 9  33 2  f 41.223  4.6391 17.883   2.5824  34.859  7.3708 47.588  5.6353 -12.72914      9.278210 
1 1 1 9  33 4  o 23.388  5.4417 5.2057   2.1634  27.439  7.9304 19.336  7.4537 8.103159       10.88340 
1 1 1 9  33 6  o 42.563  4.0638 18.772   2.3599  40.570  6.6101 44.556  4.7290 -3.986347      8.127546 
1 1 1 9  33 8  o 44.272  4.1811 20.205   2.5540  43.210  6.6495 45.334  5.0704 -2.123547      8.362126 
1 1 1 9  33 10 o 59.594  3.1442 36.281   2.5930  57.740  4.9762 61.447  3.8447 -3.706711      6.288442 
1 1 1 9  33 12 o 65.842  3.1537 45.202   2.6157  62.394  5.5260 69.289  3.0410 -6.895206      6.307494 
1 1 1 9  33 14 o 84.681  2.4000 72.771   2.7979  83.434  3.8264 85.929  2.8979 -2.494667      4.799941 
1 1 1 9  33 16 o 49.264  3.8512 25.063   2.5848  49.203  6.2289 49.325  4.5307 -0.1222038     7.702334 
1 1 1 9  33 18 o 27.222  5.8687 8.1409   2.4758  25.629  9.1907 28.814  7.3006 -3.184444      11.73745 
1 1 1 9  33 20 o 15.445  4.9595 -1.4599  2.1537  16.824  7.7673 14.066  6.1689 2.757754       9.918967 
1 1 1 9  33 22 o 23.217  6.2119 5.2125   2.5250  25.825  10.018 20.610  7.3475 5.214937       12.42382 
1 1 1 9  33 24 o 50.727  4.0137 26.753   2.3654  52.130  7.2264 49.324  3.4952 2.806068       8.027305 
1 1 1 9  33 26 o 46.924  5.1069 25.333   2.7655  44.986  9.2589 48.862  4.3123 -3.875225      10.21384 
1 1 1 9  33 28 o 27.077  5.9410 8.8768   2.4758  31.780  9.0218 22.373  7.7323 9.406179       11.88200 
1 1 1 9  33 30 o 16.086  5.1320 -0.3814  2.3440  18.604  8.1375 13.568  6.2555 5.036262       10.26409 
1 1 1 9  33 32 o 19.918  5.7799 4.3886   2.3936  21.724  9.1441 18.111  7.0720 3.612658       11.55975 
1 1 1 9  33 34 o 17.026  5.5464 0.7739   2.8235  18.102  8.6273 15.951  6.9729 2.150814       11.09289 
1 1 1 9  34 1  o 64.709  3.2543 42.992   2.9357  59.407  5.0515 70.011  4.1040 -10.60428      6.508511 
1 1 1 9  34 3  o 39.933  4.9317 17.285   2.5618  36.277  8.4262 43.590  5.1268 -7.312607      9.863344 
1 1 1 9  34 5  o 46.271  4.0020 21.993   2.6163  47.827  5.6071 44.716  5.7117 3.111233       8.003930 
1 1 1 9  34 7  o 27.487  5.9717 8.0579   2.5397  25.212  8.1948 29.761  8.6885 -4.548849      11.94342 
1 1 1 9  34 9  o 32.579  5.0403 11.635   2.2702  28.581  8.3915 36.577  5.5860 -7.996059      10.08069 
1 1 1 9  34 11 o 20.792  5.5720 3.5522   2.2555  20.454  8.0667 21.131  7.6889 -0.6768742     11.14405 
1 1 1 9  34 13 o 61.767  3.1061 40.017   2.5930  55.950  5.1354 67.585  3.4956 -11.63423      6.212190 
1 1 1 9  34 15 o 30.813  5.4333 10.606   2.3607  31.249  7.4503 30.376  7.9105 0.8731213      10.86661 
1 1 1 9  34 17 o 22.051  5.6561 4.1984   2.4720  19.127  8.4273 24.975  7.5463 -5.848354      11.31221 
1 1 1 9  34 19 o 58.048  3.7703 35.368   2.8053  58.130  6.4806 57.966  3.8553 0.1639519      7.540639 
1 1 1 9  34 21 o 76.619  2.4857 60.310   2.5633  76.564  4.0863 76.673  2.8314 -0.1090240     4.971401 
1 1 1 9  34 23 o 44.121  3.9558 20.747   2.3882  45.705  6.2866 42.538  4.8033 3.166801       7.911555 
1 1 1 9  34 25 o 25.621  6.2189 7.8715   2.6172  25.547  9.9272 25.696  7.4932 -0.1486835     12.43771 
1 1 1 9  34 27 o 33.243  5.4594 13.249   2.3439  34.498  9.1159 31.988  6.0099 2.510319       10.91871 
1 1 1 9  34 29 o 39.861  5.3320 19.402   2.5642  38.258  9.5359 41.464  4.7737 -3.206104      10.66401 
1 1 1 9  34 31 o 24.890  6.3703 9.1011   2.7875  25.090  9.9434 24.690  7.9656 0.3993778      12.74060 
1 1 1 9  35 0  o 142.390 2.9175 203.938  8.3006  142.390 2.9175 ?       ?      0.000000       0.000000 
1 1 1 9  35 2  o 81.385  2.4753 66.760   2.7979  83.291  3.8330 79.480  3.1331 3.810730       4.950560 
1 1 1 9  35 4  o 43.379  4.5248 19.551   2.7478  45.158  6.7869 41.599  5.9861 3.558422       9.049599 
1 1 1 9  35 6  f 45.797  3.9668 21.955   2.4894  43.867  6.4045 47.727  4.6824 -3.860046      7.933628 
1 1 1 9  35 8  o 83.523  2.4866 70.362   2.9024  86.556  3.7622 80.490  3.2524 6.066025       4.973123 
1 1 1 9  35 10 o 67.167  2.9898 46.032   2.7383  67.542  4.8212 66.791  3.5371 0.7512131      5.979584 
1 1 1 9  35 12 o 16.651  5.1699 -1.2091  2.4312  15.740  7.3945 17.562  7.2271 -1.821695      10.33973 
1 1 1 9  35 14 o 33.376  6.0244 12.566   2.5952  35.378  10.129 31.374  6.5253 4.004416       12.04887 
1 1 1 9  35 16 o 106.465 2.4960 116.927  3.6494  103.599 4.0061 109.331 2.9784 -5.732697      4.991998 
1 1 1 9  35 18 o 88.048  2.6198 80.766   3.1299  84.840  4.2898 91.257  3.0086 -6.417473      5.239689 
1 1 1 9  35 20 o 34.142  5.6498 13.943   2.5659  30.966  9.8846 37.318  5.4752 -6.351992      11.29970 
1 1 1 9  35 22 o 16.803  5.2772 0.2980   2.1283  20.586  8.7817 13.020  5.8546 7.566007       10.55440 
1 1 1 9  35 24 o 39.107  5.1520 18.199   2.7322  39.764  7.6596 38.451  6.8921 1.313862       10.30391 
1 1 1 9  35 26 o 60.131  3.3388 39.505   2.5781  57.528  5.7715 62.733  3.3588 -5.205040      6.677685 
1 1 1 9  35 28 o 49.431  4.5093 29.763   2.8222  43.167  7.8323 55.696  4.4710 -12.52998      9.018546 
1 1 1 9  35 30 o 22.685  5.8015 6.8768   2.7714  18.758  8.6692 26.612  7.7121 -7.853920      11.60304 
1 1 1 9  36 1  o 27.180  5.6788 8.2165   2.4112  24.102  8.5899 30.257  7.4303 -6.154507      11.35762 
1 1 1 9  36 3  f 64.396  3.3646 42.761   3.0595  65.845  4.8485 62.946  4.6661 2.898735       6.729100 
1 1 1 9  36 5  o 23.657  6.0555 5.4142   2.6309  26.895  9.0374 20.419  8.0623 6.476336       12.11099 
1 1 1 9  36 7  o 46.391  4.9456 24.312   2.9670  40.654  8.4480 52.127  5.1446 -11.47216      9.891233 
1 1 1 9  36 9  o 25.423  5.8146 7.2644   2.4538  23.145  8.9336 27.701  7.4452 -4.556051      11.62927 
1 1 1 9  36 11 o 30.673  5.6143 11.056   2.4640  28.437  8.7793 32.908  7.0004 -4.471458      11.22866 
1 1 1 9  36 13 o 67.559  2.8417 47.286   2.6270  67.037  4.5718 68.080  3.3763 -1.043022      5.683392 
1 1 1 9  36 15 o 34.826  5.2589 14.378   2.2921  30.977  9.4476 38.675  4.6226 -7.698421      10.51783 
1 1 1 9  36 17 o 31.451  6.1047 11.574   2.6005  35.128  9.8080 27.773  7.2715 7.354742       12.20946 
1 1 1 9  36 19 o 72.834  2.7025 55.057   2.7478  74.098  4.1362 71.569  3.4794 2.528847       5.405010 
1 1 1 9  36 21 o 96.207  2.6623 97.045   3.5198  94.383  4.2620 98.031  3.1915 -3.648270      5.324500 
1 1 1 9  36 23 o 75.446  3.6511 63.669   3.2461  70.483  6.6130 80.409  3.0969 -9.926048      7.302261 
1 1 1 9  36 25 o 44.233  5.1241 24.416   2.6689  39.923  9.2836 48.544  4.3406 -8.620468      10.24820 
1 1 1 9  36 27 o 17.895  5.4107 2.2282   2.4248  17.579  8.2659 18.212  6.9841 -0.6333637     10.82137 
1 1 1 9  37 0  o 70.575  4.1924 51.208   5.8742  70.575  4.1924 ?       ?      0.000000       0.000000 
1 1 1 9  37 2  o 80.573  2.7259 67.014   3.0938  78.517  4.0660 82.629  3.6319 -4.112007      5.451863 
1 1 1 9  37 4  o 49.020  4.2382 25.644   2.9024  50.644  6.4299 47.397  5.5233 3.247581       8.476474 
1 1 1 9  37 6  o 19.274  5.8144 1.4628   2.7862  19.367  8.4384 19.180  8.0014 0.1866589      11.62873 
1 1 1 9  37 8  o 37.844  4.6830 16.206   2.3940  43.317  5.4539 32.371  7.6143 10.94617       9.366007 
1 1 1 9  37 10 o 19.124  5.7202 1.8103   2.5781  19.747  8.6918 18.501  7.4389 1.246553       11.44046 
1 1 1 9  37 12 o 52.161  4.2440 29.499   2.8847  51.238  7.2277 53.083  4.4505 -1.844967      8.488009 
1 1 1 9  37 14 o 62.403  3.6228 41.726   3.1606  63.719  5.5113 61.087  4.7035 2.632164       7.245543 
1 1 1 9  37 16 o 23.732  6.0665 6.4754   2.5416  25.611  9.2776 21.852  7.8189 3.758884       12.13300 
1 1 1 9  37 18 o 38.693  5.6039 17.936   2.7025  37.795  9.8635 39.591  5.3221 -1.796165      11.20775 
1 1 1 9  37 20 o 49.150  3.8477 26.677   2.6033  49.046  6.1186 49.253  4.6669 -0.2067490     7.695323 
1 1 1 9  37 22 o 36.066  6.4769 17.606   3.1716  38.446  10.266 33.687  7.8997 4.759212       12.95381 
1 1 1 9  37 24 o 17.962  5.4787 2.1027   2.4829  17.867  8.3734 18.057  7.0676 -0.1890812     10.95740 
1 1 1 9  37 26 o 16.970  5.6338 0.5222   2.7917  20.112  9.2955 13.829  6.3682 6.282750       11.26765 
1 1 1 9  38 1  f 51.979  3.9097 28.924   2.8733  52.654  5.4569 51.303  5.6006 1.351238       7.819472 
1 1 1 9  38 3  o 54.093  3.7213 31.333   2.7862  52.013  5.8924 56.173  4.5467 -4.159729      7.442678 
1 1 1 9  38 5  o 39.653  4.9674 17.988   2.6756  43.095  5.9265 36.212  7.9735 6.882984       9.934808 
1 1 1 9  38 7  f 24.491  6.2327 6.9945   2.7165  24.494  9.4893 24.488  8.0833 0.5901337E-02  12.46539 
1 1 1 9  38 9  o 18.847  5.8394 1.2322   2.8053  20.117  9.0219 17.576  7.4161 2.540449       11.67871 
1 1 1 9  38 11 o 25.956  6.3476 8.2417   2.7807  27.500  9.6020 24.412  8.3048 3.088190       12.69523 
1 1 1 9  38 13 f 33.115  5.4065 13.122   2.3762  31.749  9.2769 34.481  5.5553 -2.732546      10.81302 
1 1 1 9  38 15 o 47.430  4.9703 26.620   3.0016  43.990  8.5796 50.870  5.0207 -6.880005      9.940649 
1 1 1 9  38 17 o 22.550  6.2265 5.8205   2.8229  22.364  9.5826 22.736  7.9530 -0.3720188     12.45293 
1 1 1 9  38 19 o 48.878  4.2660 26.683   2.8451  54.998  6.5013 42.759  5.5251 12.23967       8.531960 
1 1 1 9  38 21 o 62.534  3.2308 42.118   2.7119  65.589  5.2569 59.480  3.7572 6.109062       6.461501 
1 1 1 9  38 23 o 36.227  5.5509 17.339   2.4545  34.804  9.9530 37.650  4.9180 -2.846577      11.10174 
1 1 1 9  39 0  o 95.258  3.8341 93.094   7.2790  95.258  3.8341 ?       ?      0.000000       0.000000 
1 1 1 9  39 2  o 68.020  2.9207 48.536   2.8080  69.680  4.1235 66.360  4.1374 3.319893       5.841320 
1 1 1 9  39 4  o 42.871  4.6381 20.641   2.7862  43.789  6.9991 41.953  6.0878 1.835514       9.276240 
1 1 1 9  39 6  o 23.677  6.2847 6.5681   2.8222  23.961  9.3738 23.393  8.3737 0.5676594      12.56933 
1 1 1 9  39 8  o 34.173  5.5680 15.484   2.9797  23.370  9.5793 44.975  5.6787 -21.60580      11.13599 
1 1 1 9  39 10 o 20.548  5.9975 3.6806   2.8719  18.971  8.2633 22.126  8.6947 -3.155003      11.99505 
1 1 1 9  39 12 o 22.740  5.8807 5.6251   2.5789  28.226  9.1345 17.254  7.4089 10.97168       11.76143 
1 1 1 9  39 14 o 28.484  6.4865 11.206   2.9955  31.133  9.3243 25.836  9.0197 5.296335       12.97295 
1 1 1 9  39 16 o 34.901  5.4407 16.410   2.6072  28.636  9.4305 41.166  5.4287 -12.52935      10.88144 
1 1 1 9  39 18 o 42.517  6.2074 24.870   3.3521  39.834  10.905 45.200  5.9330 -5.366077      12.41479 
1 1 1 9  39 20 o 53.197  4.4221 34.032   3.2416  55.311  6.9264 51.084  5.4996 4.226871       8.844271 
1 1 1 9  40 1  o 39.234  5.5927 19.144   2.9887  41.437  7.9897 37.032  7.8281 4.404770       11.18543 
1 1 1 9  40 3  o 30.592  6.1856 12.434   2.8676  34.732  8.6604 26.451  8.8343 8.280323       12.37124 
1 1 1 9  40 5  o 33.367  6.2302 14.857   2.9955  35.066  8.3103 31.669  9.2844 3.397161       12.46039 
1 1 1 9  40 7  o 21.071  6.0120 4.5078   2.8222  19.891  8.6821 22.250  8.3184 -2.359196      12.02392 
1 1 1 9  40 9  o 22.572  6.1622 6.1296   2.9316  19.702  8.5092 25.442  8.9153 -5.739084      12.32439 
1 1 1 9  40 11 o 21.049  6.1817 4.6763   3.1621  19.630  9.0535 22.468  8.4195 -2.837934      12.36339 
1 1 1 9  40 13 o 20.530  5.6797 4.5532   2.6157  18.124  8.3152 22.937  7.7392 -4.812366      11.35945 
1 1 1 9  40 15 o 18.578  6.0168 1.6929   3.5056  19.024  8.9048 18.132  8.0938 0.8926411      12.03351 
1 1 1 9  40 17 o 22.839  6.2383 7.9600   2.8222  23.226  9.2855 22.452  8.3333 0.7739525      12.47655 
1 1 1 9  41 0  o 56.651  4.9172 34.607   5.4911  56.651  4.9172 ?       ?      0.000000       0.000000 
1 1 1 9  41 2  o 36.265  5.6124 17.390   2.7979  33.734  9.2085 38.796  6.4186 -5.062057      11.22477 
1 1 1 9  41 4  o 22.130  6.2635 6.4963   2.9412  22.995  9.2470 21.265  8.4509 1.729387       12.52693 
1 1 1 9  41 6  o 19.878  5.9993 3.9271   2.9275  22.238  9.1901 17.519  7.7143 4.719395       11.99867 
1 1 1 9  41 8  o 20.067  5.8523 4.0353   2.9116  17.811  8.3150 22.323  8.2377 -4.511976      11.70465 
1 1 1 9  41 10 o 18.386  5.7535 2.3146   3.0435  17.034  7.9480 19.739  8.3212 -2.705620      11.50709 
1 1 1 9  41 12 o 18.363  5.6292 2.3339   2.9140  16.311  7.7841 20.415  8.1338 -4.103445      11.25840 
1 1 1 9  42 1  o 18.154  5.8373 1.6926   3.3407  17.498  8.2390 18.810  8.2714 -1.312222      11.67469 
1 1 1 9  42 3  o 18.854  5.9215 3.3551   3.1345  19.354  8.6566 18.354  8.0820 1.000237       11.84293 
1 1 1 10 1  1  o 618.304 3.8298 3824.12  33.481  626.968 5.4281 609.641 5.4043 17.32751       7.659666 
1 1 1 10 1  3  o 515.287 3.2113 2656.18  23.399  514.013 4.5092 516.561 4.5734 -2.548584      6.422542 
1 1 1 10 1  5  o 326.635 2.1632 1066.80  9.9876  329.350 3.1019 323.919 3.0159 5.431335       4.326366 
1 1 1 10 1  7  o 184.000 1.4858 338.591  3.8564  184.051 2.1856 183.949 2.0132 0.1023865      2.971504 
1 1 1 10 1  9  o 472.907 2.9884 2237.17  19.984  468.358 4.2398 477.456 4.2125 -9.097931      5.976724 
1 1 1 10 1  11 o 607.627 4.0559 3696.11  34.737  611.988 5.4462 603.266 6.0118 8.722717       8.111869 
1 1 1 10 1  13 o 543.513 3.4578 2953.94  25.936  542.862 4.2343 544.163 5.4679 -1.301697      6.915697 
1 1 1 10 1  15 o 332.757 2.3110 1108.18  10.732  334.008 2.9439 331.506 3.5632 2.501862       4.622056 
1 1 1 10 1  17 o 482.221 3.1052 2318.63  20.729  475.915 3.8639 488.528 4.8620 -12.61285      6.210407 
1 1 1 10 1  19 o 648.411 4.0949 4215.15  36.718  653.609 5.0310 643.213 6.4623 10.39679       8.189795 
1 1 1 10 1  21 o 122.090 1.4721 147.485  2.4312  118.353 1.7264 125.826 2.3850 -7.472656      2.944255 
1 1 1 10 1  23 o 354.026 2.4219 1245.45  11.700  346.431 2.8937 361.621 3.8845 -15.18964      4.843804 
1 1 1 10 1  25 o 37.126  2.7609 14.243   1.3126  39.625  2.7393 34.626  4.7943 4.998333       5.521750 
1 1 1 10 1  27 o 213.454 1.9744 454.776  5.5770  212.252 2.1659 214.657 3.3017 -2.405243      3.948757 
1 1 1 10 1  29 f 174.467 2.7177 303.565  4.5729  173.833 1.7631 175.101 5.1416 -1.268280      5.435441 
1 1 1 10 1  31 o 112.777 1.8441 128.606  2.6005  114.891 1.7784 110.662 3.2311 4.228813       3.688191 
1 1 1 10 1  33 o 21.692  4.2357 4.7635   1.2473  21.585  4.5764 21.799  7.1288 -0.2137280     8.471330 
1 1 1 10 1  35 o 94.249  1.5867 88.580   2.0761  92.668  1.9982 95.829  2.4653 -3.161232      3.173369 
1 1 1 10 1  37 o 107.213 1.6748 116.095  2.3384  109.294 1.7526 105.132 2.8545 4.161499       3.349587 
1 1 1 10 1  39 o 48.212  2.5080 23.078   1.6192  46.799  2.8652 49.626  4.1173 -2.826836      5.016068 
1 1 1 10 1  41 o 59.812  2.1125 35.540   1.6578  58.429  2.2949 61.196  3.5475 -2.767349      4.225049 
1 1 1 10 1  43 o 17.894  4.8215 2.1709   1.7414  19.269  6.7232 16.519  6.9126 2.750017       9.642965 
1 1 1 10 1  45 f 47.376  3.4823 22.702   2.1851  46.265  3.8643 48.487  5.7942 -2.222488      6.964571 
1 1 1 10 1  47 o 29.644  5.4288 8.7781   2.0117  23.442  6.1773 35.845  8.9291 -12.40334      10.85766 
1 1 1 10 1  49 o 24.511  5.0496 6.8575   1.8112  25.275  5.9101 23.747  8.1894 1.527662       10.09927 
1 1 1 10 1  51 o 16.644  5.0877 0.8413   2.1033  14.592  6.4006 18.695  7.9100 -4.102553      10.17530 
1 1 1 10 1  53 o 15.863  4.6910 1.5371   1.7089  13.365  5.8320 18.361  7.3491 -4.996365      9.381967 
1 1 1 10 2  0  o 654.030 5.5754 4279.77  72.917  654.030 5.5754 ?       ?      0.000000       0.000000 
1 1 1 10 2  2  o 91.232  1.0885 82.831   1.3931  94.206  1.6267 88.258  1.4469 5.948112       2.177056 
1 1 1 10 2  4  o 249.177 1.8042 621.234  6.3491  247.382 2.6327 250.971 2.4678 -3.589188      3.608464 
1 1 1 10 2  6  o 325.237 2.2840 1058.01  10.499  325.658 3.2939 324.817 3.1648 0.8406067      4.567935 
1 1 1 10 2  8  o 318.145 2.2071 1012.49  9.9278  316.880 3.1635 319.410 3.0785 -2.530212      4.414159 
1 1 1 10 2  10 f 653.366 4.0337 4273.73  36.702  655.494 5.0944 651.238 6.2553 4.255554       8.067314 
1 1 1 10 2  12 o 611.870 3.9408 3740.45  33.140  609.098 4.7697 614.641 6.2745 -5.542664      7.881569 
1 1 1 10 2  14 o 325.241 2.2225 1057.75  10.007  325.000 2.7505 325.482 3.4919 -0.4821777     4.445021 
1 1 1 10 2  16 o 188.530 3.1056 358.414  7.7026  192.095 3.3239 184.965 5.2471 7.129669       6.211284 
1 1 1 10 2  18 o 296.312 2.3373 874.536  9.7460  307.147 3.4301 285.478 3.1760 21.66940       4.674643 
1 1 1 10 2  20 o 256.898 1.9367 661.880  6.8449  259.526 2.3373 254.270 3.0887 5.255737       3.873344 
1 1 1 10 2  22 o 281.126 2.0096 790.349  7.7686  280.898 2.4322 281.354 3.1999 -0.4563293     4.019288 
1 1 1 10 2  24 o 121.408 1.2966 147.739  2.1654  122.383 1.5652 120.433 2.0677 1.950531       2.593276 
1 1 1 10 2  26 o 191.333 1.8894 362.203  4.7030  186.897 2.0156 195.769 3.1963 -8.871490      3.778771 
1 1 1 10 2  28 o 173.993 2.3753 300.938  4.3887  172.657 1.7751 175.329 4.4065 -2.671341      4.750626 
1 1 1 10 2  30 o 128.581 1.8469 163.581  2.8802  126.324 1.7185 130.838 3.2697 -4.514275      3.693787 
1 1 1 10 2  32 o 138.482 1.6476 190.748  2.9900  136.658 1.7755 140.305 2.7760 -3.647202      3.295224 
1 1 1 10 2  34 o 76.810  1.9759 58.012   1.8585  74.595  1.8831 79.024  3.4743 -4.428627      3.951857 
1 1 1 10 2  36 o 30.945  4.0787 9.9901   1.5029  32.118  3.5784 29.773  7.3307 2.344639       8.157462 
1 1 1 10 2  38 o 96.435  1.7898 89.418   2.0242  90.934  1.6150 101.936 3.1945 -11.00198      3.579536 
1 1 1 10 2  40 o 58.170  2.1934 33.932   1.7513  57.982  2.6429 58.357  3.5012 -0.3759232     4.386742 
1 1 1 10 2  42 o 59.735  2.4528 35.945   1.8973  60.025  2.5530 59.446  4.1889 0.5783386      4.905594 
1 1 1 10 2  44 o 48.009  2.7161 23.316   1.7744  48.158  3.1821 47.860  4.4025 0.2976532      5.432118 
1 1 1 10 2  46 o 18.604  5.1750 2.4020   1.9256  17.657  6.6484 19.551  7.9322 -1.893927      10.34992 
1 1 1 10 2  48 o 20.604  5.1896 3.9606   1.9289  21.977  6.3346 19.231  8.2219 2.746553       10.37917 
1 1 1 10 2  50 o 40.919  3.1272 17.114   1.7520  36.509  4.0224 45.329  4.7893 -8.819714      6.254366 
1 1 1 10 2  52 o 45.732  3.3647 22.280   2.1409  39.600  4.8372 51.863  4.6783 -12.26337      6.729394 
1 1 1 10 2  54 o 21.974  5.6777 6.4063   2.2348  20.307  7.3367 23.640  8.6671 -3.333052      11.35546 
1 1 1 10 3  1  o 307.747 2.0979 947.211  9.1302  306.026 2.9627 309.469 2.9710 -3.443329      4.195828 
1 1 1 10 3  3  o 166.957 1.3796 278.804  3.2551  166.459 1.9946 167.454 1.9065 -0.9948883     2.759213 
1 1 1 10 3  5  o 662.012 4.3328 4386.72  40.222  662.187 5.6504 661.837 6.5699 0.3501587      8.665508 
1 1 1 10 3  7  o 599.204 4.3450 3586.21  33.844  596.645 4.5803 601.762 7.3850 -5.116821      8.690028 
1 1 1 10 3  9  f 449.177 3.0742 2010.47  18.643  444.292 3.5497 454.063 5.0201 -9.770508      6.148357 
1 1 1 10 3  11 o 695.490 4.3061 4847.37  41.668  701.226 5.4087 689.753 6.7021 11.47223       8.612300 
1 1 1 10 3  13 o 859.698 5.1824 7381.40  61.472  853.480 6.3590 865.916 8.1849 -12.43634      10.36479 
1 1 1 10 3  15 o 402.180 2.7843 1617.42  15.441  401.848 3.4003 402.512 4.4099 -0.6640015     5.568605 
1 1 1 10 3  17 o 134.637 1.3981 180.506  2.6033  132.314 1.7372 136.960 2.1911 -4.645538      2.796263 
1 1 1 10 3  19 o 322.569 2.2478 1044.01  10.111  328.057 2.8416 317.080 3.4837 10.97711       4.495671 
1 1 1 10 3  21 o 419.032 2.8446 1758.42  16.696  421.525 3.6808 416.540 4.3380 4.984741       5.689219 
1 1 1 10 3  23 o 96.609  1.2844 92.839   1.7414  100.243 1.9109 92.975  1.7169 7.267838       2.568866 
1 1 1 10 3  25 o 290.710 2.0507 844.849  8.4108  293.439 3.0028 287.982 2.7936 5.457306       4.101362 
1 1 1 10 3  27 o 218.484 1.8811 477.649  5.8076  218.983 2.5950 217.985 2.7241 0.9985809      3.762291 
1 1 1 10 3  29 o 41.014  2.4986 17.811   1.3378  49.111  2.6002 32.916  4.2675 16.19489       4.997278 
1 1 1 10 3  31 o 56.653  2.4271 33.024   1.7724  59.991  2.4480 53.315  4.1916 6.675900       4.854109 
1 1 1 10 3  33 o 195.411 1.9869 382.831  4.9273  196.003 1.9872 194.819 3.4413 1.183792       3.973833 
1 1 1 10 3  35 o 157.703 1.8615 250.547  3.7125  159.518 1.8412 155.887 3.2358 3.630859       3.722974 
1 1 1 10 3  37 f 96.515  1.8008 93.387   2.2714  96.776  1.9133 96.254  3.0514 0.5225220      3.601679 
1 1 1 10 3  39 o 34.233  4.3814 12.449   1.8784  36.677  4.1782 31.789  7.7025 4.887787       8.762710 
1 1 1 10 3  41 o 42.583  2.6521 18.200   1.5860  41.705  3.5213 43.460  3.9668 -1.754246      5.304234 
1 1 1 10 3  43 o 20.412  4.6982 3.9828   1.5902  22.213  5.7167 18.611  7.4572 3.601858       9.396311 
1 1 1 10 3  45 o 40.153  3.2923 16.363   1.7966  39.502  3.8793 40.803  5.3205 -1.300854      6.584576 
1 1 1 10 3  47 o 41.385  3.3185 16.857   1.7962  37.072  3.7891 45.698  5.4492 -8.625687      6.637077 
1 1 1 10 3  49 o 36.274  4.0574 14.877   1.7108  39.741  3.3740 32.807  7.3802 6.934067       8.114876 
1 1 1 10 3  51 o 18.308  4.4600 2.8331   1.6648  22.342  6.1124 14.274  6.4966 8.067801       8.920027 
1 1 1 10 3  53 o 24.527  5.1420 7.6535   1.9070  22.937  7.0851 26.116  7.4539 -3.178801      10.28395 
1 1 1 10 4  0  o 757.736 9.3566 5749.86  141.748 757.736 9.3566 ?       ?      0.000000       0.000000 
1 1 1 10 4  2  o 245.442 2.4096 600.226  7.7239  243.375 2.5711 247.508 4.0760 -4.133102      4.819124 
1 1 1 10 4  4  o 442.851 2.9989 1965.06  18.621  447.507 3.8952 438.195 4.5608 9.311829       5.997770 
1 1 1 10 4  6  o 336.792 2.3366 1133.11  10.851  335.116 2.8580 338.467 3.6975 -3.350647      4.673254 
1 1 1 10 4  8  o 510.147 3.3122 2605.01  23.491  511.520 4.1567 508.774 5.1580 2.746246       6.624415 
1 1 1 10 4  10 o 258.909 1.8169 669.164  6.4961  257.038 2.2357 260.780 2.8647 -3.742950      3.633815 
1 1 1 10 4  12 o 820.178 5.2972 6730.41  61.085  819.401 7.0131 820.955 7.9409 -1.553284      10.59441 
1 1 1 10 4  14 o 603.133 3.6380 3638.50  31.028  606.375 5.1702 599.890 5.1196 6.485657       7.276058 
1 1 1 10 4  16 o 307.370 2.1667 944.879  9.4178  309.457 3.0537 305.282 3.0745 4.175140       4.333337 
1 1 1 10 4  18 o 555.607 3.7608 3089.69  29.321  556.966 4.9180 554.247 5.6910 2.718689       7.521598 
1 1 1 10 4  20 o 155.284 1.9053 238.950  4.0088  151.095 2.2397 159.472 3.0830 -8.376999      3.810636 
1 1 1 10 4  22 o 312.690 2.1730 977.837  9.6068  316.078 3.0907 309.302 3.0552 6.775909       4.345916 
1 1 1 10 4  24 o 115.733 1.6783 134.022  2.7456  117.857 2.3296 113.609 2.4167 4.248123       3.356681 
1 1 1 10 4  26 o 93.268  1.3819 86.810   1.8057  94.601  2.0923 91.935  1.8057 2.665939       2.763795 
1 1 1 10 4  28 o 175.804 1.6946 309.484  4.1274  176.450 2.0988 175.159 2.6611 1.290695       3.389129 
1 1 1 10 4  30 o 86.994  1.6146 75.826   1.9711  87.877  2.1071 86.110  2.4469 1.767395       3.229149 
1 1 1 10 4  32 o 86.016  1.5835 74.271   1.9070  87.801  2.0362 84.230  2.4257 3.570442       3.167078 
1 1 1 10 4  34 o 80.262  1.6740 64.595   1.8571  80.829  2.0539 79.696  2.6439 1.132912       3.347915 
1 1 1 10 4  36 o 58.111  1.9915 33.931   1.6226  59.435  2.5783 56.787  3.0359 2.648102       3.982980 
1 1 1 10 4  38 o 146.678 1.5814 216.002  3.2251  148.462 1.9784 144.894 2.4678 3.568329       3.162872 
1 1 1 10 4  40 o 35.626  3.2281 12.715   1.6125  33.955  4.3251 37.298  4.7933 -3.343285      6.456163 
1 1 1 10 4  42 o 86.761  1.8652 75.375   2.1180  86.421  1.9948 87.101  3.1522 -0.6796875     3.730361 
1 1 1 10 4  44 o 20.042  5.0152 3.6395   1.6761  18.668  6.1737 21.416  7.9053 -2.748621      10.03039 
1 1 1 10 4  46 o 24.591  4.9424 6.5979   1.8623  27.719  5.9311 21.463  7.9077 6.255875       9.884873 
1 1 1 10 4  48 o 24.345  5.2517 6.6598   2.0123  26.591  6.3263 22.099  8.3844 4.492527       10.50337 
1 1 1 10 4  50 o 59.102  2.8666 36.483   2.0288  59.652  2.5689 58.552  5.1253 1.100025       5.733109 
1 1 1 10 4  52 o 18.029  5.0803 2.6275   2.0123  19.133  6.8383 16.925  7.5151 2.208487       10.16066 
1 1 1 10 4  54 o 13.689  4.4500 -0.9330  1.9464  13.048  5.9463 14.329  6.6219 -1.280813      8.899957 
1 1 1 10 5  1  o 349.965 2.9561 1226.73  13.771  351.033 3.2741 348.896 4.9229 2.137268       5.912227 
1 1 1 10 5  3  o 293.461 3.2059 850.749  10.971  288.278 2.7908 298.643 5.7726 -10.36542      6.411849 
1 1 1 10 5  5  o 137.434 2.2029 180.344  3.0403  130.711 1.5632 144.157 4.1192 -13.44574      4.405813 
1 1 1 10 5  7  o 225.610 1.7510 508.963  5.5853  227.124 2.5020 224.096 2.4503 3.027359       3.502043 
1 1 1 10 5  9  o 429.633 2.8430 1846.07  17.264  430.604 4.0926 428.661 3.9473 1.943268       5.685940 
1 1 1 10 5  11 o 980.733 8.1093 9626.58  112.340 991.906 11.728 969.560 11.202 22.34662       16.21854 
1 1 1 10 5  13 o 632.292 4.1091 3994.95  36.383  636.628 6.2484 627.955 5.3382 8.673401       8.218176 
1 1 1 10 5  15 o 405.956 2.8809 1651.62  16.410  411.788 3.7524 400.123 4.3724 11.66516       5.761790 
1 1 1 10 5  17 o 210.974 1.6478 445.068  4.9157  208.023 2.3327 213.925 2.3281 -5.901077      3.295694 
1 1 1 10 5  19 o 149.476 2.7314 224.529  5.4543  151.258 3.0393 147.694 4.5393 3.563934       5.462853 
1 1 1 10 5  21 o 173.614 1.9818 301.856  4.6449  174.210 2.2724 173.018 3.2475 1.192169       3.963616 
1 1 1 10 5  23 f 461.653 2.9876 2132.24  19.500  455.995 4.2007 467.310 4.2493 -11.31479      5.975184 
1 1 1 10 5  25 o 344.426 2.5977 1187.65  12.631  346.418 3.5389 342.435 3.8038 3.983093       5.195426 
1 1 1 10 5  27 f 210.785 1.7563 444.315  5.2326  208.107 2.4545 213.464 2.5126 -5.356674      3.512510 
1 1 1 10 5  29 o 206.981 1.7649 428.476  5.0827  206.502 2.2262 207.461 2.7392 -0.9591827     3.529756 
1 1 1 10 5  31 o 176.790 1.9913 311.590  4.7540  174.831 2.3008 178.748 3.2506 -3.916336      3.982501 
1 1 1 10 5  33 o 136.295 1.5783 186.195  3.0245  138.127 2.0802 134.463 2.3743 3.664505       3.156622 
1 1 1 10 5  35 o 111.124 1.4244 123.330  2.2183  109.638 1.8636 112.610 2.1546 -2.971458      2.848755 
1 1 1 10 5  37 o 56.997  2.1940 32.531   1.7274  56.790  2.6984 57.204  3.4602 -0.4142685     4.387969 
1 1 1 10 5  39 o 32.400  3.1542 10.622   1.4359  30.818  4.7653 33.981  4.1338 -3.163685      6.308417 
1 1 1 10 5  41 o 23.476  4.8051 5.5763   1.7027  19.640  6.6000 27.312  6.9853 -7.671631      9.610115 
1 1 1 10 5  43 o 26.625  4.1930 7.4457   1.5480  31.530  5.6745 21.721  6.1744 9.808998       8.385958 
1 1 1 10 5  45 o 16.409  4.6647 1.4360   1.6192  16.126  6.0877 16.692  7.0694 -0.5664349     9.329307 
1 1 1 10 5  47 o 16.716  4.9249 0.9578   1.9155  16.860  6.4659 16.572  7.4303 0.2885666      9.849721 
1 1 1 10 5  49 o 14.189  4.3649 -0.6196  1.7216  16.042  6.5433 12.336  5.7789 3.705691       8.729875 
1 1 1 10 5  51 o 28.307  5.8404 9.4814   2.1150  29.700  4.7296 26.913  10.680 2.787653       11.68080 
1 1 1 10 5  53 o 14.935  4.7496 0.1525   1.9289  13.798  5.9232 16.072  7.4263 -2.274402      9.499183 
1 1 1 10 6  0  o 206.713 3.7402 427.798  15.452  206.713 3.7402 ?       ?      0.000000       0.000000 
1 1 1 10 6  2  o 312.872 2.7260 976.877  11.155  311.234 2.9132 314.510 4.6085 -3.276306      5.452007 
1 1 1 10 6  4  o 460.427 3.4192 2106.20  20.483  453.659 3.6312 467.195 5.7947 -13.53561      6.838454 
1 1 1 10 6  6  o 328.285 2.4159 1077.88  10.800  328.256 2.8399 328.314 3.9090 -0.5780029E-01 4.831739 
1 1 1 10 6  8  o 810.175 4.7848 6568.10  54.810  812.564 6.6792 807.786 6.8531 4.777344       9.569576 
1 1 1 10 6  10 o 848.891 5.0108 7210.94  60.143  852.374 6.9965 845.408 7.1750 6.965881       10.02154 
1 1 1 10 6  12 o 799.367 4.6825 6392.79  52.923  800.768 6.6979 797.967 6.5453 2.800964       9.364987 
1 1 1 10 6  14 o 890.305 5.2163 7930.21  65.633  886.529 7.2311 894.081 7.5200 -7.552490      10.43258 
1 1 1 10 6  16 o 972.129 5.5781 9460.03  76.684  967.268 7.9345 976.990 7.8425 -9.722351      11.15625 
1 1 1 10 6  18 o 673.746 4.0376 4541.99  38.460  676.198 5.7789 671.294 5.6403 4.903870       8.075191 
1 1 1 10 6  20 o 525.639 3.3373 2764.64  24.803  517.073 4.7418 534.204 4.6973 -17.13092      6.674532 
1 1 1 10 6  22 o 197.722 1.6007 390.940  4.4549  198.075 2.3854 197.369 2.1351 0.7059631      3.201422 
1 1 1 10 6  24 o 240.446 1.7843 578.434  6.0651  238.932 2.5654 241.960 2.4805 -3.028931      3.568556 
1 1 1 10 6  26 o 129.387 1.4488 167.522  2.6494  128.030 2.0946 130.745 2.0023 -2.715073      2.897663 
1 1 1 10 6  28 o 143.272 1.5285 205.344  3.0964  141.156 2.1712 145.389 2.1519 -4.232422      3.056971 
1 1 1 10 6  30 o 117.761 1.5737 138.738  2.6116  117.683 2.1160 117.839 2.3299 -0.1568375     3.147383 
1 1 1 10 6  32 f 80.734  1.6522 65.301   1.8830  82.396  2.2473 79.072  2.4225 3.323692       3.304354 
1 1 1 10 6  34 f 115.604 1.5305 133.708  2.4640  115.366 1.9371 115.841 2.3701 -0.4752579     3.061020 
1 1 1 10 6  36 o 27.174  4.1887 7.7142   1.5585  27.490  6.1882 26.857  5.6467 0.6334858      8.377336 
1 1 1 10 6  38 o 85.259  1.8127 71.732   2.0789  81.740  2.1091 88.778  2.9488 -7.037537      3.625401 
1 1 1 10 6  40 o 19.110  4.5968 3.2404   1.5218  22.304  6.8148 15.917  6.1710 6.386904       9.193619 
1 1 1 10 6  42 f 24.644  3.9712 6.4208   1.5860  33.337  4.4052 15.950  6.6087 17.38703       7.942326 
1 1 1 10 6  44 o 20.935  4.8898 4.1858   1.7027  17.389  6.5206 24.481  7.2886 -7.092402      9.779661 
1 1 1 10 6  46 o 36.644  3.7364 13.196   1.7027  33.590  3.8018 39.699  6.4335 -6.108974      7.472824 
1 1 1 10 6  48 o 49.042  2.7230 24.863   1.8830  50.566  3.6619 47.519  4.0311 3.047184       5.445979 
1 1 1 10 6  50 o 66.828  3.6669 48.905   2.4115  70.191  2.3651 63.464  6.9420 6.727001       7.333816 
1 1 1 10 6  52 o 25.729  5.9546 8.1941   2.2424  25.413  6.3038 26.045  10.104 -0.6321659     11.90929 
1 1 1 10 6  54 o 15.755  4.7558 0.9840   1.9831  16.893  6.4696 14.617  6.9723 2.276422       9.511515 
1 1 1 10 7  1  o 600.037 5.0364 3609.98  41.951  604.565 6.2735 595.510 7.8807 9.055054       10.07279 
1 1 1 10 7  3  o 366.331 2.6585 1342.03  13.632  365.860 3.4381 366.803 4.0559 -0.9431763     5.317021 
1 1 1 10 7  5  f 467.293 3.1421 2184.55  20.251  467.549 3.8375 467.036 4.9764 0.5126953      6.284150 
1 1 1 10 7  7  o 326.557 2.2799 1068.84  10.306  329.563 2.8093 323.551 3.5916 6.011902       4.559806 
1 1 1 10 7  9  o 393.638 2.6423 1551.25  14.379  395.202 3.2474 392.073 4.1690 3.129242       5.284582 
1 1 1 10 7  11 o 718.503 4.7286 5145.82  47.127  706.911 5.9342 730.095 7.3637 -23.18439      9.457234 
1 1 1 10 7  13 f 694.459 4.3255 4819.08  41.166  691.612 5.1884 697.305 6.9225 -5.692871      8.651069 
1 1 1 10 7  15 o 875.825 5.6343 7685.87  69.364  883.065 7.4258 868.584 8.4758 14.48096       11.26861 
1 1 1 10 7  17 o 613.391 3.7500 3763.42  32.518  607.142 5.2478 619.640 5.3583 -12.49786      7.500031 
1 1 1 10 7  19 o 370.159 2.4942 1369.31  13.035  375.621 3.6207 364.697 3.4315 10.92447       4.988478 
1 1 1 10 7  21 o 600.276 3.6291 3606.74  30.808  597.295 5.1419 603.258 5.1228 -5.963684      7.258214 
1 1 1 10 7  23 o 496.552 3.3630 2464.73  23.480  490.778 4.4755 502.326 5.0208 -11.54840      6.725955 
1 1 1 10 7  25 o 383.507 2.7518 1467.81  14.794  376.165 3.6155 390.849 4.1494 -14.68475      5.503584 
1 1 1 10 7  27 o 313.301 2.3417 982.299  10.373  310.238 3.2930 316.363 3.3301 -6.125214      4.683324 
1 1 1 10 7  29 o 74.132  2.2424 54.607   2.2566  72.509  2.6418 75.756  3.6242 -3.246552      4.484868 
1 1 1 10 7  31 o 76.308  2.0725 58.461   2.0507  76.787  2.1620 75.830  3.5365 0.9575500      4.144996 
1 1 1 10 7  33 o 90.298  1.4614 81.460   1.8164  89.741  1.7787 90.854  2.3192 -1.113052      2.922752 
1 1 1 10 7  35 o 125.720 1.5702 158.182  2.7478  125.581 1.9829 125.859 2.4351 -0.2778320     3.140340 
1 1 1 10 7  37 o 162.600 1.6247 265.181  3.6494  163.630 1.9901 161.570 2.5687 2.059616       3.249418 
1 1 1 10 7  39 o 118.152 1.7582 139.207  2.6172  117.094 1.7449 119.210 3.0530 -2.115791      3.516464 
1 1 1 10 7  41 o 58.006  2.4788 34.019   1.7962  58.641  2.3954 57.371  4.3404 1.269836       4.957583 
1 1 1 10 7  43 o 14.246  4.2799 -0.6631  1.6208  15.833  6.1643 12.658  5.9391 3.175165       8.559892 
1 1 1 10 7  45 o 44.441  3.8748 20.588   2.0840  45.438  3.5130 43.444  6.9077 1.994606       7.749686 
1 1 1 10 7  47 o 48.522  2.9622 25.157   1.8389  52.441  2.9222 44.603  5.1535 7.838020       5.924360 
1 1 1 10 7  49 o 16.424  4.5549 1.1841   1.7414  19.561  6.7330 13.286  6.1365 6.274029       9.109882 
1 1 1 10 7  51 o 18.517  5.6678 1.8750   2.2675  14.248  6.2093 22.785  9.4838 -8.536437      11.33568 
1 1 1 10 7  53 o 14.242  4.6348 -0.8577  2.0318  13.146  5.9379 15.337  7.1180 -2.190415      9.269508 
1 1 1 10 8  0  o 949.872 11.727 9035.73  222.710 949.872 11.727 ?       ?      0.000000       0.000000 
1 1 1 10 8  2  o 263.864 2.1263 693.586  7.7272  267.731 3.3627 259.997 2.6032 7.734100       4.252530 
1 1 1 10 8  4  o 394.903 2.9258 1547.36  15.920  383.153 3.6162 406.653 4.6005 -23.49994      5.851643 
1 1 1 10 8  6  o 727.704 5.1987 5279.55  49.769  721.745 5.6353 733.664 8.7378 -11.91931      10.39739 
1 1 1 10 8  8  o 577.528 3.7179 3337.49  29.698  578.301 4.5820 576.754 5.8564 1.546997       7.435867 
1 1 1 10 8  10 o 639.650 4.0158 4097.75  35.655  643.014 5.0047 636.286 6.2818 6.728088       8.031683 
1 1 1 10 8  12 o 376.254 2.6539 1418.55  13.855  379.409 3.2985 373.099 4.1586 6.309357       5.307893 
1 1 1 10 8  14 o 1380.99 11.111 19138.06 216.831 1386.43 16.036 1375.55 15.383 10.87280       22.22136 
1 1 1 10 8  16 o 426.038 2.8205 1816.29  16.593  426.654 3.4570 425.422 4.4576 1.231689       5.641016 
1 1 1 10 8  18 o 328.116 2.1709 1078.43  9.9558  330.819 2.7793 325.414 3.3356 5.404877       4.341764 
1 1 1 10 8  20 o 288.623 2.0709 835.075  8.3205  291.728 2.6045 285.518 3.2203 6.210480       4.141724 
1 1 1 10 8  22 o 290.299 2.1522 844.405  8.6948  292.522 2.7066 288.077 3.3468 4.445099       4.304306 
1 1 1 10 8  24 o 225.631 1.8821 509.486  5.9992  227.204 2.5855 224.059 2.7357 3.145203       3.764146 
1 1 1 10 8  26 o 149.614 1.4834 223.898  3.1078  149.512 1.9218 149.717 2.2603 -0.2047577     2.966857 
1 1 1 10 8  28 o 134.575 1.6441 181.187  3.1274  134.197 2.2838 134.953 2.3657 -0.7560577     3.288182 
1 1 1 10 8  30 o 171.029 1.7554 292.609  4.2439  172.912 2.5110 169.147 2.4537 3.765137       3.510786 
1 1 1 10 8  32 o 179.308 1.8731 325.547  4.3977  184.009 1.9779 174.607 3.1814 9.402176       3.746120 
1 1 1 10 8  34 f 112.338 1.6687 127.851  2.5193  116.138 1.8693 108.538 2.7649 7.599998       3.337492 
1 1 1 10 8  36 o 77.016  2.0501 59.056   2.0188  76.102  2.0975 77.931  3.5231 -1.828796      4.100226 
1 1 1 10 8  38 o 17.186  5.0628 0.7198   1.9136  16.374  6.3177 17.998  7.9129 -1.623894      10.12555 
1 1 1 10 8  40 o 77.375  1.8575 60.541   1.9052  78.947  2.0219 75.802  3.1166 3.144875       3.715037 
1 1 1 10 8  42 o 66.147  2.1147 43.074   1.9052  61.644  2.5895 70.650  3.3439 -9.005959      4.229302 
1 1 1 10 8  44 o 32.572  3.9927 11.128   1.7787  33.303  4.9849 31.841  6.2383 1.462296       7.985343 
1 1 1 10 8  46 o 21.411  5.5642 4.0142   1.8655  17.262  6.1481 25.560  9.2758 -8.298067      11.12832 
1 1 1 10 8  48 o 21.317  5.1294 4.8174   1.7724  18.787  6.4589 23.846  7.9703 -5.059143      10.25876 
1 1 1 10 8  50 o 16.436  4.7885 1.7034   1.7308  14.556  6.0694 18.317  7.4082 -3.761293      9.577043 
1 1 1 10 8  52 o 14.378  4.5946 -0.8301  1.9832  14.344  6.1672 14.412  6.8122 -0.6793404E-01 9.189112 
1 1 1 10 9  1  o 363.013 2.5899 1316.86  13.229  365.674 3.8589 360.352 3.4552 5.322266       5.179707 
1 1 1 10 9  3  o 611.792 3.7562 3743.03  32.485  616.885 5.3822 606.698 5.2411 10.18787       7.512485 
1 1 1 10 9  5  o 422.604 2.9729 1789.90  17.702  412.584 4.4261 432.623 3.9701 -20.03952      5.945764 
1 1 1 10 9  7  o 552.783 3.5529 3054.82  27.168  551.503 4.3879 554.063 5.5892 -2.560425      7.105791 
1 1 1 10 9  9  o 571.813 3.6621 3268.16  29.031  569.907 4.5599 573.719 5.7316 -3.811707      7.324161 
1 1 1 10 9  11 o 768.729 4.6723 5903.72  49.584  764.246 5.7397 773.211 7.3742 -8.964233      9.344698 
1 1 1 10 9  13 o 377.843 2.6058 1427.00  13.508  376.975 3.1335 378.710 4.1644 -1.735626      5.211608 
1 1 1 10 9  15 o 397.085 2.9532 1581.41  15.564  399.651 3.2432 394.518 4.9362 5.133148       5.906364 
1 1 1 10 9  17 o 597.897 3.8555 3581.96  31.607  600.442 4.6151 595.352 6.1775 5.089722       7.711077 
1 1 1 10 9  19 f 473.879 3.1270 2249.64  20.388  475.901 3.7835 471.857 4.9797 4.043518       6.253976 
1 1 1 10 9  21 o 562.492 3.5662 3170.02  27.781  564.454 4.4116 560.530 5.6044 3.923828       7.132462 
1 1 1 10 9  23 o 249.225 1.8288 622.784  6.3901  253.151 2.3709 245.299 2.7852 7.851639       3.657634 
1 1 1 10 9  25 o 301.104 2.5190 904.567  9.9863  298.918 2.7341 303.289 4.2316 -4.370758      5.038043 
1 1 1 10 9  27 o 250.467 1.9757 627.511  6.8753  249.889 2.4785 251.044 3.0775 -1.154541      3.951455 
1 1 1 10 9  29 o 276.195 2.2515 762.696  8.7282  273.802 2.9616 278.588 3.3921 -4.786407      4.503040 
1 1 1 10 9  31 o 117.062 1.6371 136.682  2.6072  115.876 1.9286 118.248 2.6459 -2.371719      3.274144 
1 1 1 10 9  33 o 49.548  2.5159 25.241   1.6432  52.725  2.6642 46.371  4.2685 6.353790       5.031737 
1 1 1 10 9  35 o 154.145 1.7452 237.731  3.5909  153.892 1.9501 154.398 2.8948 -0.5065460     3.490355 
1 1 1 10 9  37 o 33.161  3.7464 11.449   1.6208  34.917  4.0230 31.406  6.3213 3.511145       7.492880 
1 1 1 10 9  39 o 87.589  1.9094 76.223   2.1213  86.062  1.9290 89.115  3.2959 -3.052895      3.818860 
1 1 1 10 9  41 o 66.715  2.0283 45.202   1.8701  70.090  2.4596 63.340  3.2258 6.749859       4.056531 
1 1 1 10 9  43 o 44.135  3.5804 22.131   1.8571  54.562  3.0426 33.708  6.4823 20.85408       7.160822 
1 1 1 10 9  45 o 36.059  3.1826 13.490   1.5937  38.928  3.9365 33.190  5.0019 5.738045       6.365123 
1 1 1 10 9  47 o 48.505  3.3809 24.391   1.9581  48.407  3.0338 48.603  6.0431 -0.1955757     6.761884 
1 1 1 10 9  49 o 18.802  5.0689 2.9870   1.9933  20.940  7.0004 16.663  7.3329 4.277554       10.13789 
1 1 1 10 9  51 o 15.392  4.7926 0.0553   2.0013  15.408  6.3700 15.376  7.1624 0.3127098E-01  9.585275 
1 1 1 10 9  53 o 14.932  4.6995 0.3715   1.9503  14.734  6.1753 15.130  7.0857 -0.3952637     9.399008 
1 1 1 10 10 0  o 178.098 2.1518 317.337  7.6621  178.098 2.1518 ?       ?      0.000000       0.000000 
1 1 1 10 10 2  o 318.516 2.2834 1015.02  10.276  315.949 3.3143 321.083 3.1420 -5.133240      4.566900 
1 1 1 10 10 4  o 352.034 2.5147 1239.33  12.503  352.650 3.6574 351.419 3.4522 1.230255       5.029315 
1 1 1 10 10 6  o 198.314 1.6734 393.238  4.6911  199.312 2.4027 197.316 2.3299 1.995682       3.346810 
1 1 1 10 10 8  o 258.479 1.9826 668.028  7.2435  259.948 2.8493 257.009 2.7576 2.938568       3.965225 
1 1 1 10 10 10 f 504.352 3.4312 2548.04  24.006  507.520 4.2649 501.183 5.3763 6.337097       6.862477 
1 1 1 10 10 12 o 708.190 4.4504 5014.32  43.334  706.114 5.3893 710.266 7.0838 -4.152771      8.900889 
1 1 1 10 10 14 o 598.238 3.7924 3590.90  31.794  609.621 4.9017 586.855 5.7882 22.76605       7.584888 
1 1 1 10 10 16 o 339.489 2.3633 1153.00  11.118  339.652 2.9326 339.327 3.7069 0.3248291      4.726669 
1 1 1 10 10 18 o 284.723 2.0238 810.666  8.0240  284.328 2.5601 285.119 3.1352 -0.7912903     4.047642 
1 1 1 10 10 20 o 171.293 1.6316 292.576  3.8518  169.304 1.9988 173.282 2.5793 -3.977829      3.263163 
1 1 1 10 10 22 o 314.287 2.2840 989.330  9.8861  315.519 2.7724 313.056 3.6305 2.463257       4.567997 
1 1 1 10 10 24 o 119.679 1.6531 141.285  2.5659  116.223 1.7580 123.134 2.8001 -6.911972      3.306259 
1 1 1 10 10 26 o 180.790 1.6684 325.824  4.1767  178.030 2.0802 183.550 2.6090 -5.520050      3.336741 
1 1 1 10 10 28 o 178.055 1.6334 317.377  4.0375  178.495 2.0390 177.614 2.5524 0.8815308      3.266811 
1 1 1 10 10 30 o 218.802 1.8592 481.385  5.5959  222.634 2.2370 214.969 2.9702 7.665100       3.718383 
1 1 1 10 10 32 o 96.782  1.5857 94.998   2.0374  100.030 1.7234 93.533  2.6623 6.497246       3.171479 
1 1 1 10 10 34 o 46.343  2.6918 21.979   1.6192  48.436  2.7683 44.250  4.6174 4.185593       5.383682 
1 1 1 10 10 36 o 15.323  4.6868 -0.1607  1.7108  13.720  5.7646 16.926  7.3914 -3.205412      9.373559 
1 1 1 10 10 38 o 80.689  1.8900 65.749   2.0374  82.194  2.0974 79.184  3.1448 3.010284       3.780061 
1 1 1 10 10 40 o 27.220  4.3239 7.5769   1.5224  25.451  4.9430 28.990  7.0958 -3.538519      8.647815 
1 1 1 10 10 42 o 42.745  3.2111 18.268   1.8112  41.326  3.5536 44.163  5.3494 -2.837345      6.422153 
1 1 1 10 10 44 o 26.862  4.5145 7.9012   1.7089  30.331  4.8418 23.392  7.6210 6.938488       9.029027 
1 1 1 10 10 46 f 39.337  3.2275 15.611   1.6761  36.655  3.6581 42.019  5.3185 -5.363941      6.455045 
1 1 1 10 10 48 o 28.018  4.8522 8.8433   1.8623  25.563  6.2810 30.473  7.3976 -4.909235      9.704380 
1 1 1 10 10 50 o 17.951  5.2636 2.2439   2.1892  18.210  7.1719 17.693  7.7062 0.5165787      10.52721 
1 1 1 10 10 52 o 18.002  5.6201 1.7027   2.3837  13.183  6.0229 22.821  9.4903 -9.637524      11.24016 
1 1 1 10 11 1  o 460.210 3.4301 2120.13  22.142  457.773 5.2026 462.647 4.4716 -4.873199      6.860189 
1 1 1 10 11 3  o 776.541 4.7700 6029.81  52.350  765.525 6.6559 787.556 6.8346 -22.03040      9.540034 
1 1 1 10 11 5  o 1006.24 7.2444 10154.64 99.206  1011.81 8.4814 1000.67 11.747 11.14038       14.48883 
1 1 1 10 11 7  o 786.815 4.7822 6189.90  53.173  773.812 6.6754 799.819 6.8495 -26.00732      9.564349 
1 1 1 10 11 9  o 452.067 3.0506 2042.35  19.487  462.184 4.3517 441.951 4.2764 20.23267       6.101249 
1 1 1 10 11 11 o 303.583 2.4051 921.772  10.283  303.471 3.2191 303.696 3.5742 -0.2250977     4.810139 
1 1 1 10 11 13 o 322.543 2.3074 1040.15  10.163  322.128 2.7354 322.959 3.7168 -0.8302002     4.614883 
1 1 1 10 11 15 o 179.848 1.6337 321.906  4.1021  175.165 2.1142 184.531 2.4913 -9.366776      3.267479 
1 1 1 10 11 17 o 166.085 1.5365 276.305  3.5198  167.069 1.8727 165.102 2.4364 1.967194       3.072961 
1 1 1 10 11 19 o 111.537 1.2796 124.083  1.9865  110.079 1.6241 112.995 1.9777 -2.916115      2.559146 
1 1 1 10 11 21 o 98.760  1.4775 97.344   1.9933  98.052  1.7582 99.468  2.3751 -1.415283      2.955067 
1 1 1 10 11 23 o 93.437  1.4957 88.235   1.9344  97.984  1.8246 88.890  2.3704 9.093330       2.991319 
1 1 1 10 11 25 o 233.818 1.8711 546.669  6.1019  232.959 2.3845 234.677 2.8840 -1.718201      3.742137 
1 1 1 10 11 27 f 340.926 2.4992 1165.03  11.842  342.703 3.1301 339.150 3.8971 3.553040       4.998487 
1 1 1 10 11 29 o 250.355 2.0850 628.433  7.2873  252.471 2.6555 248.240 3.2152 4.230896       4.169988 
1 1 1 10 11 31 o 50.634  1.8290 25.674   1.3082  50.380  2.6615 50.887  2.5095 -0.5072594     3.658006 
1 1 1 10 11 33 o 50.120  2.1666 24.848   1.4898  47.907  2.6656 52.332  3.4163 -4.425144      4.333159 
1 1 1 10 11 35 o 135.059 1.7545 181.628  3.1243  133.262 1.9165 136.856 2.9393 -3.593491      3.508919 
1 1 1 10 11 37 o 149.653 1.7189 226.386  3.4169  152.935 1.8788 146.372 2.8791 6.563049       3.437838 
1 1 1 10 11 39 o 101.736 1.9805 104.424  2.5659  102.859 1.9864 100.613 3.4269 2.245949       3.961024 
1 1 1 10 11 41 o 76.912  2.1891 59.586   2.2321  77.061  2.4029 76.764  3.6598 0.2969894      4.378137 
1 1 1 10 11 43 o 28.719  4.5981 8.9919   1.7438  31.239  4.4966 26.200  8.0218 5.039511       9.196116 
1 1 1 10 11 45 o 17.043  4.7402 2.0336   1.6770  17.320  6.5155 16.767  6.8866 0.5525970      9.480334 
1 1 1 10 11 47 f 23.134  5.2079 6.0658   1.8964  22.070  6.9838 24.197  7.7275 -2.127102      10.41576 
1 1 1 10 11 49 o 27.795  5.0656 9.3062   2.0352  30.866  6.4188 24.724  7.8384 6.142515       10.13120 
1 1 1 10 11 51 o 20.987  5.4634 5.1671   2.0013  19.069  6.7165 22.906  8.6187 -3.837114      10.92673 
1 1 1 10 11 53 o 16.793  4.8852 2.7110   1.8297  16.750  6.3569 16.837  7.4195 -0.8756828E-01 9.770370 
1 1 1 10 12 0  o 997.623 8.4433 9958.88  168.438 997.623 8.4433 ?       ?      0.000000       0.000000 
1 1 1 10 12 2  o 446.538 2.9490 1995.08  18.606  449.979 4.0582 443.097 4.2798 6.881348       5.897952 
1 1 1 10 12 4  o 405.935 2.7250 1647.89  15.641  411.322 3.8498 400.549 3.8577 10.77274       5.449975 
1 1 1 10 12 6  o 504.099 3.2556 2541.36  23.202  500.454 4.5548 507.745 4.6529 -7.290710      6.511159 
1 1 1 10 12 8  o 287.126 2.0288 822.456  8.1966  281.069 2.7260 293.183 3.0054 -12.11450      4.057566 
1 1 1 10 12 10 o 589.525 3.6837 3476.63  30.707  594.893 5.2270 584.156 5.1919 10.73682       7.367349 
1 1 1 10 12 12 f 439.242 2.9553 1930.05  18.356  438.982 4.1454 439.503 4.2131 -0.5204468     5.910507 
1 1 1 10 12 14 o 356.452 2.5328 1275.44  12.383  360.841 3.0258 352.063 4.0625 8.777740       5.065514 
1 1 1 10 12 16 o 515.344 3.5328 2658.81  25.619  516.620 4.6965 514.068 5.2788 2.552002       7.065593 
1 1 1 10 12 18 o 408.530 2.7227 1673.12  15.528  412.725 3.4654 404.335 4.2005 8.389984       5.445486 
1 1 1 10 12 20 o 152.615 1.4703 232.458  3.1216  151.049 1.8599 154.180 2.2777 -3.130066      2.940638 
1 1 1 10 12 22 o 68.067  1.6748 46.478   1.5733  68.821  2.0411 67.314  2.6559 1.507202       3.349649 
1 1 1 10 12 24 o 124.512 1.3979 154.956  2.4479  123.668 1.8587 125.355 2.0884 -1.686638      2.795713 
1 1 1 10 12 26 o 188.865 1.7614 356.924  4.5736  188.881 2.1297 188.849 2.8063 0.3192139E-01  3.522875 
1 1 1 10 12 28 o 162.415 1.7653 263.976  4.0543  164.203 2.4887 160.627 2.5043 3.575531       3.530565 
1 1 1 10 12 30 o 117.147 1.7816 136.248  2.6689  115.324 1.8271 118.971 3.0591 -3.647736      3.563213 
1 1 1 10 12 32 o 157.098 1.6622 247.407  3.6378  158.132 2.0997 156.065 2.5775 2.067337       3.324466 
1 1 1 10 12 34 o 114.289 1.7174 131.727  2.5297  115.973 1.7618 112.605 2.9486 3.367836       3.434815 
1 1 1 10 12 36 f 65.041  2.2731 43.210   1.9256  67.640  2.3599 62.442  3.8857 5.198090       4.546203 
1 1 1 10 12 38 o 29.956  4.5361 9.0581   1.7921  25.313  5.9043 34.599  6.8880 -9.285614      9.072242 
1 1 1 10 12 40 o 39.875  3.1130 15.851   1.7089  37.635  3.9022 42.115  4.8515 -4.480690      6.226057 
1 1 1 10 12 42 o 28.984  4.9472 9.1316   1.9332  31.621  4.8462 26.346  8.6264 5.274288       9.894493 
1 1 1 10 12 44 o 18.140  5.1225 1.9238   1.8784  14.791  6.1858 21.490  8.1667 -6.699711      10.24491 
1 1 1 10 12 46 o 49.383  3.4216 24.619   2.1537  46.094  3.6016 52.671  5.8188 -6.577293      6.843192 
1 1 1 10 12 48 o 64.096  2.5090 42.157   2.2123  61.965  3.0913 66.227  3.9529 -4.261486      5.018095 
1 1 1 10 12 50 o 41.450  4.7265 21.126   2.1140  47.364  3.3702 35.536  8.8318 11.82811       9.452950 
1 1 1 10 12 52 o 13.583  4.5107 -1.3949  1.8978  10.866  5.1245 16.299  7.4246 -5.432382      9.021370 
1 1 1 10 13 1  o 215.066 1.9105 462.483  5.8076  216.268 2.7457 213.864 2.6571 2.403839       3.820907 
1 1 1 10 13 3  o 389.098 2.7502 1514.02  15.126  387.122 3.8265 391.073 3.9511 -3.951202      5.500332 
1 1 1 10 13 5  o 680.548 4.1762 4633.77  40.191  683.111 5.9354 677.985 5.8766 5.125549       8.352437 
1 1 1 10 13 7  o 455.428 2.9895 2074.95  19.247  456.363 4.1554 454.494 4.2989 1.869019       5.978939 
1 1 1 10 13 9  o 500.356 3.3120 2503.32  23.404  504.675 4.8077 496.038 4.5567 8.636444       6.624010 
1 1 1 10 13 11 o 722.639 4.4361 5226.00  45.314  726.901 6.3683 718.377 6.1773 8.523438       8.872118 
1 1 1 10 13 13 o 235.486 1.9280 554.649  6.4092  235.606 2.8185 235.366 2.6314 0.2400818      3.855921 
1 1 1 10 13 15 o 460.965 3.2596 2125.44  21.171  458.719 4.3846 463.212 4.8245 -4.493011      6.519229 
1 1 1 10 13 17 o 461.013 3.0927 2123.09  19.649  457.741 3.7802 464.286 4.8959 -6.544037      6.185403 
1 1 1 10 13 19 o 299.123 2.2961 895.786  9.7048  304.696 3.1643 293.551 3.3279 11.14478       4.592129 
1 1 1 10 13 21 o 73.556  2.0589 52.714   2.0318  78.668  3.3277 68.445  2.4255 10.22337       4.117860 
1 1 1 10 13 23 o 239.697 2.0371 575.501  6.6977  240.507 2.4424 238.887 3.2608 1.619766       4.074145 
1 1 1 10 13 25 o 309.129 2.3336 958.093  10.084  311.842 2.9894 306.416 3.5841 5.425720       4.667151 
1 1 1 10 13 27 o 146.990 1.5240 216.398  3.1525  148.340 2.0230 145.639 2.2798 2.701431       3.047948 
1 1 1 10 13 29 o 186.815 1.9115 349.074  5.0240  185.494 2.5472 188.135 2.8508 -2.640579      3.823038 
1 1 1 10 13 31 o 84.230  1.6663 71.171   1.9773  86.166  2.2230 82.294  2.4828 3.872269       3.332625 
1 1 1 10 13 33 o 216.970 1.9482 471.392  5.8550  216.732 2.4158 217.207 3.0572 -0.4756012     3.896454 
1 1 1 10 13 35 o 87.978  1.7880 77.854   2.0789  88.778  1.9419 87.178  3.0029 1.600769       3.576085 
1 1 1 10 13 37 o 82.606  1.7694 68.687   2.0113  83.795  2.1336 81.418  2.8232 2.377129       3.538750 
1 1 1 10 13 39 o 64.894  2.4914 42.251   2.1180  64.497  2.6729 65.291  4.2051 -0.7946243     4.982724 
1 1 1 10 13 41 o 38.931  3.6426 15.732   1.9050  40.935  4.0555 36.926  6.0520 4.009308       7.285168 
1 1 1 10 13 43 o 19.858  4.7876 3.6546   1.7089  22.291  6.3057 17.425  7.2057 4.865999       9.575198 
1 1 1 10 13 45 o 61.292  2.3983 38.379   2.0629  60.775  3.1518 61.808  3.6156 -1.033325      4.796545 
1 1 1 10 13 47 o 27.097  4.9507 8.4070   1.8623  24.729  6.4053 29.464  7.5503 -4.735914      9.901302 
1 1 1 10 13 49 f 20.395  4.5218 3.9587   1.8147  26.903  6.4764 13.887  6.3121 13.01616       9.043618 
1 1 1 10 13 51 o 16.596  4.7991 2.0683   1.8590  17.744  6.5469 15.449  7.0189 2.295120       9.598269 
1 1 1 10 14 0  o 183.167 2.6156 335.726  9.5776  183.167 2.6156 ?       ?      0.000000       0.000000 
1 1 1 10 14 2  o 283.228 2.2866 800.275  9.1304  291.296 3.3318 275.160 3.1326 16.13510       4.573196 
1 1 1 10 14 4  o 396.389 2.6889 1572.01  15.066  399.016 3.7285 393.763 3.8755 5.253967       5.377814 
1 1 1 10 14 6  o 734.895 4.5217 5403.36  46.966  728.902 6.2895 740.888 6.4980 -11.98645      9.043395 
1 1 1 10 14 8  o 495.493 3.2267 2455.89  22.581  496.903 4.6901 494.083 4.4326 2.820282       6.453314 
1 1 1 10 14 10 o 151.068 1.5694 227.759  3.3372  153.899 2.3234 148.238 2.1106 5.660721       3.138878 
1 1 1 10 14 12 o 270.830 2.0528 733.916  7.8406  269.872 3.0284 271.788 2.7721 -1.915833      4.105615 
1 1 1 10 14 14 o 294.095 2.2033 865.284  9.1615  293.345 3.1561 294.845 3.0751 -1.500275      4.406505 
1 1 1 10 14 16 o 457.766 3.0628 2097.48  19.826  452.934 4.3701 462.599 4.2926 -9.664825      6.125694 
1 1 1 10 14 18 o 314.431 2.2622 991.522  9.9068  318.153 2.8498 310.708 3.5140 7.444519       4.524371 
1 1 1 10 14 20 o 275.596 2.0921 759.597  8.0105  274.931 2.6243 276.261 3.2588 -1.329285      4.184159 
1 1 1 10 14 22 o 127.005 1.9292 160.943  3.0059  126.426 1.8182 127.585 3.4031 -1.159248      3.858329 
1 1 1 10 14 24 o 234.482 1.9812 550.485  6.4997  235.070 2.5533 233.895 3.0302 1.174576       3.962451 
1 1 1 10 14 26 o 192.918 2.1445 371.336  5.6918  190.597 2.6130 195.238 3.4012 -4.641052      4.289057 
1 1 1 10 14 28 o 197.915 1.7746 391.132  4.8889  195.692 2.2513 200.137 2.7437 -4.445557      3.549129 
1 1 1 10 14 30 o 102.518 1.6294 105.163  2.3607  101.400 2.2669 103.636 2.3412 -2.236183      3.258816 
1 1 1 10 14 32 o 118.849 1.6407 141.674  2.7322  120.336 2.1224 117.363 2.5026 2.972931       3.281406 
1 1 1 10 14 34 o 14.320  4.6144 -2.3281  1.9646  13.392  5.9446 15.248  7.0591 -1.856246      9.228741 
1 1 1 10 14 36 o 51.345  2.9482 26.539   2.0374  51.289  3.3613 51.402  4.8445 -0.1127205     5.896408 
1 1 1 10 14 38 o 25.648  4.7523 6.7171   1.6857  22.324  6.1146 28.972  7.2766 -6.648113      9.504557 
1 1 1 10 14 40 o 15.864  4.7027 0.7314   1.6253  13.831  5.7063 17.898  7.4766 -4.066264      9.405422 
1 1 1 10 14 42 o 32.206  4.2251 11.099   1.7251  33.567  4.1848 30.845  7.3412 2.722439       8.450219 
1 1 1 10 14 44 f 36.351  4.0760 14.373   1.9279  38.122  4.3547 34.581  6.8914 3.541214       8.151992 
1 1 1 10 14 46 o 21.989  5.0387 5.3657   1.7673  20.947  6.7296 23.030  7.5010 -2.083200      10.07732 
1 1 1 10 14 48 o 35.552  3.9344 13.829   1.9711  33.802  5.4780 37.301  5.6488 -3.499523      7.868731 
1 1 1 10 14 50 o 15.013  4.5972 0.1442   1.9279  16.551  6.6245 13.475  6.3759 3.075990       9.194325 
1 1 1 10 15 1  o 496.774 3.2631 2469.17  22.922  499.250 4.5658 494.299 4.6632 4.950928       6.526213 
1 1 1 10 15 3  o 363.991 2.7579 1325.26  14.033  364.112 4.2262 363.870 3.5446 0.2415161      5.515863 
1 1 1 10 15 5  o 253.724 2.0912 643.971  7.5023  255.524 2.9236 251.925 2.9907 3.599106       4.182324 
1 1 1 10 15 7  o 115.667 1.6208 133.630  2.6402  117.102 2.3991 114.233 2.1799 2.868355       3.241571 
1 1 1 10 15 9  o 94.031  1.5398 88.453   2.0352  93.861  2.3129 94.202  2.0334 -0.3413315     3.079664 
1 1 1 10 15 11 o 107.407 1.4550 114.742  2.1654  109.901 2.2658 104.912 1.8258 4.989471       2.909909 
1 1 1 10 15 13 o 37.744  2.6626 14.698   1.2648  35.540  4.6710 39.948  2.5573 -4.407490      5.325288 
1 1 1 10 15 15 o 168.334 1.5765 283.522  3.7022  168.045 2.4317 168.622 2.0069 -0.5766144     3.152937 
1 1 1 10 15 17 o 358.456 2.5195 1286.01  12.770  354.529 3.6020 362.384 3.5239 -7.855377      5.039075 
1 1 1 10 15 19 o 99.070  1.7788 97.397   2.4492  102.738 2.7346 95.402  2.2755 7.335434       3.557508 
1 1 1 10 15 21 o 128.782 2.0927 168.175  3.3874  131.906 2.0331 125.659 3.6585 6.246658       4.185443 
1 1 1 10 15 23 o 129.769 1.5307 168.416  2.8080  128.319 2.1396 131.219 2.1897 -2.900162      3.061495 
1 1 1 10 15 25 o 200.775 1.7562 402.205  4.9402  197.099 2.3001 204.451 2.6546 -7.352081      3.512398 
1 1 1 10 15 27 o 174.201 1.7701 303.441  4.2958  173.392 2.2463 175.010 2.7363 -1.617874      3.540206 
1 1 1 10 15 29 o 85.435  1.8736 72.093   2.1180  82.697  2.0847 88.174  3.1138 -5.476776      3.747226 
1 1 1 10 15 31 o 94.310  1.6350 89.270   2.1634  96.110  2.1259 92.510  2.4847 3.600029       3.270063 
1 1 1 10 15 33 o 154.329 1.5962 238.563  3.4725  154.464 2.1495 154.194 2.3603 0.2701874      3.192414 
1 1 1 10 15 35 o 104.566 1.7371 110.146  2.4538  106.103 1.9859 103.029 2.8508 3.073837       3.474267 
1 1 1 10 15 37 o 20.751  5.0272 4.0317   1.7513  20.315  6.6000 21.187  7.5850 -0.8721733     10.05445 
1 1 1 10 15 39 o 17.441  4.4714 1.8529   1.5902  20.102  5.9438 14.779  6.6817 5.323215       8.942757 
1 1 1 10 15 41 o 50.822  3.0756 26.880   2.1004  54.216  3.4154 47.428  5.1158 6.787697       6.151108 
1 1 1 10 15 43 o 24.058  4.8945 6.3595   1.7274  22.841  6.4350 25.276  7.3766 -2.435476      9.788939 
1 1 1 10 15 45 o 35.850  4.5100 14.032   2.0188  35.608  4.4829 36.093  7.8270 -0.4854393     9.019923 
1 1 1 10 15 47 o 34.448  4.9483 13.762   2.2951  33.251  6.3722 35.646  7.5723 -2.395229      9.896677 
1 1 1 10 15 49 o 16.798  5.3753 0.1952   2.4248  15.186  6.5279 18.409  8.5418 -3.222613      10.75064 
1 1 1 10 15 51 o 22.624  5.5084 7.0577   2.1044  23.428  6.7293 21.820  8.7228 1.607681       11.01682 
1 1 1 10 16 0  o 65.327  2.7472 42.908   3.5756  65.327  2.7472 ?       ?      0.000000       0.000000 
1 1 1 10 16 2  o 237.804 2.0131 565.592  6.7627  237.363 2.7707 238.246 2.9212 -0.8827362     4.026201 
1 1 1 10 16 4  o 315.166 2.3355 993.769  10.408  311.580 3.3403 318.752 3.2651 -7.171844      4.671023 
1 1 1 10 16 6  o 405.810 2.7666 1646.65  15.827  408.443 4.0801 403.177 3.7375 5.265930       5.533194 
1 1 1 10 16 8  o 277.544 2.1718 770.473  8.5230  273.277 3.0841 281.810 3.0587 -8.533020      4.343701 
1 1 1 10 16 10 o 656.282 4.4386 4313.55  40.969  656.218 6.6456 656.346 5.8855 -0.1289063     8.877168 
1 1 1 10 16 12 o 392.590 2.7277 1539.83  15.064  397.720 4.0617 387.460 3.6419 10.25964       5.455357 
1 1 1 10 16 14 o 113.104 1.4441 127.786  2.2702  113.778 2.2447 112.429 1.8173 1.349472       2.888176 
1 1 1 10 16 16 o 428.144 2.8421 1834.99  17.207  426.918 4.0531 429.369 3.9854 -2.450592      5.684264 
1 1 1 10 16 18 o 179.143 1.7238 321.684  4.3080  177.301 2.6649 180.986 2.1873 -3.685440      3.447630 
1 1 1 10 16 20 o 217.145 1.9132 471.902  5.8735  218.146 2.6635 216.143 2.7473 2.002808       3.826494 
1 1 1 10 16 22 o 407.644 3.1741 1664.20  18.264  404.560 4.3402 410.727 4.6326 -6.167328      6.348138 
1 1 1 10 16 24 o 144.896 1.5444 210.068  3.1525  144.900 2.0711 144.892 2.2915 0.8285522E-02  3.088742 
1 1 1 10 16 26 o 108.147 1.9599 115.450  2.9344  114.447 3.0127 101.847 2.5077 12.59954       3.919801 
1 1 1 10 16 28 o 101.454 1.6950 103.142  2.4196  102.279 2.2474 100.630 2.5380 1.648537       3.390048 
1 1 1 10 16 30 o 70.286  1.9269 49.439   1.9134  69.336  2.6706 71.236  2.7786 -1.900734      3.853893 
1 1 1 10 16 32 o 120.379 1.5649 145.374  2.6309  121.587 1.9955 119.171 2.4110 2.415573       3.129749 
1 1 1 10 16 34 o 105.988 1.6279 112.575  2.3994  106.041 2.0472 105.935 2.5315 0.1063232      3.255711 
1 1 1 10 16 36 o 33.170  4.1468 11.365   1.8571  33.524  4.9520 32.815  6.6530 0.7088661      8.293633 
1 1 1 10 16 38 o 29.687  4.8250 9.3668   1.8648  31.104  4.7214 28.270  8.4160 2.834295       9.649941 
1 1 1 10 16 40 o 14.761  4.4959 -0.0506  1.6625  13.410  5.8422 16.112  6.8354 -2.701655      8.991842 
1 1 1 10 16 42 o 37.008  3.9718 13.996   1.9921  34.830  4.7664 39.185  6.3548 -4.355656      7.943688 
1 1 1 10 16 44 o 14.551  4.7793 -2.2074  2.0523  11.496  5.3989 17.607  7.8880 -6.110167      9.558685 
1 1 1 10 16 46 f 21.075  5.6259 4.5627   2.2227  20.798  7.1288 21.352  8.7054 -0.5538673     11.25178 
1 1 1 10 16 48 o 15.650  4.8075 0.0169   2.0789  16.695  6.7221 14.606  6.8747 2.088473       9.614955 
1 1 1 10 16 50 o 43.506  3.1522 20.386   1.8841  39.560  4.0351 47.453  4.8440 -7.892872      6.304483 
1 1 1 10 17 1  f 209.978 1.7954 440.987  5.3313  208.868 2.5373 211.087 2.5409 -2.219238      3.590798 
1 1 1 10 17 3  o 188.188 1.7995 354.242  4.7888  189.511 2.5269 186.864 2.5627 2.646469       3.598998 
1 1 1 10 17 5  o 462.502 3.1237 2138.52  20.398  469.184 4.5317 455.819 4.3004 13.36484       6.247412 
1 1 1 10 17 7  o 339.728 2.6254 1154.95  12.608  337.977 3.7784 341.478 3.6462 -3.500427      5.250782 
1 1 1 10 17 9  o 209.923 1.8942 440.117  5.5927  212.610 2.8230 207.236 2.5265 5.374634       3.788438 
1 1 1 10 17 11 o 478.567 3.1806 2293.14  21.513  475.284 4.5945 481.849 4.3994 -6.565186      6.361112 
1 1 1 10 17 13 o 283.193 2.1685 802.472  8.6837  280.600 3.0947 285.785 3.0385 -5.185730      4.337012 
1 1 1 10 17 15 o 284.866 2.1641 811.566  8.7014  282.766 2.9581 286.966 3.1595 -4.199158      4.328138 
1 1 1 10 17 17 o 257.195 2.0393 662.020  7.3868  256.876 3.0325 257.514 2.7274 -0.6384583     4.078603 
1 1 1 10 17 19 o 156.517 1.6937 244.936  3.7022  157.141 2.6005 155.893 2.1708 1.247772       3.387436 
1 1 1 10 17 21 o 127.242 1.5980 161.957  2.8676  127.515 2.3534 126.969 2.1624 0.5461578      3.196032 
1 1 1 10 17 23 o 167.228 1.7175 279.931  4.0422  167.636 2.2853 166.821 2.5644 0.8150940      3.434961 
1 1 1 10 17 25 o 150.510 1.6539 226.321  3.4828  149.015 2.1424 152.005 2.5203 -2.990646      3.307873 
1 1 1 10 17 27 o 106.507 1.7384 113.590  2.6179  107.736 2.4299 105.278 2.4866 2.457924       3.476732 
1 1 1 10 17 29 o 169.646 1.7620 288.230  4.1899  169.944 2.2919 169.348 2.6770 0.5964355      3.524026 
1 1 1 10 17 31 o 53.364  2.4768 28.781   1.8495  56.422  3.1687 50.307  3.8077 6.114838       4.953666 
1 1 1 10 17 33 o 72.470  2.1245 52.804   2.1709  69.254  3.1347 75.686  2.8683 -6.431747      4.248969 
1 1 1 10 17 35 o 64.880  1.9244 42.394   1.7507  66.663  2.4903 63.096  2.9347 3.566879       3.848863 
1 1 1 10 17 37 o 23.475  4.8006 5.8057   1.6861  24.726  5.9932 22.223  7.5010 2.502838       9.601236 
1 1 1 10 17 39 o 44.122  2.8634 19.693   1.7787  42.579  3.8989 45.665  4.1947 -3.086369      5.726831 
1 1 1 10 17 41 o 20.137  4.8069 3.6241   1.7966  23.486  6.3659 16.788  7.2042 6.697847       9.613823 
1 1 1 10 17 43 o 38.554  5.7661 17.595   2.3155  42.111  3.7906 34.998  10.891 7.113018       11.53210 
1 1 1 10 17 45 o 12.991  4.2533 -2.4696  1.8787  13.777  6.1956 12.204  5.8289 1.572947       8.506557 
1 1 1 10 17 47 o 17.939  5.3442 2.0846   2.2779  17.807  7.1206 18.072  7.9710 -0.2644920     10.68832 
1 1 1 10 17 49 o 16.525  4.7900 2.3625   1.7787  15.206  6.4026 17.844  7.1262 -2.638268      9.579975 
1 1 1 10 18 0  o 670.066 6.2904 4494.69  84.283  670.066 6.2904 ?       ?      0.000000       0.000000 
1 1 1 10 18 2  o 330.326 2.4740 1091.68  11.557  333.003 3.4897 327.650 3.5077 5.352417       4.947944 
1 1 1 10 18 4  o 359.895 2.6289 1295.73  13.364  361.272 3.8175 358.518 3.6153 2.754333       5.257784 
1 1 1 10 18 6  o 147.969 1.6642 218.943  3.4725  148.442 2.4518 147.496 2.2511 0.9458313      3.328438 
1 1 1 10 18 8  o 221.090 1.8889 488.777  5.9019  223.211 2.7175 218.970 2.6244 4.241043       3.777844 
1 1 1 10 18 10 o 382.142 2.6642 1461.22  14.395  379.474 3.7354 384.811 3.7997 -5.337494      5.328321 
1 1 1 10 18 12 o 127.051 1.5370 161.709  2.7218  126.068 2.3804 128.035 1.9449 -1.967010      3.073961 
1 1 1 10 18 14 o 225.517 1.9040 508.372  6.0416  227.321 2.8369 223.713 2.5402 3.608597       3.807957 
1 1 1 10 18 16 o 205.992 1.8311 423.832  5.3084  209.068 2.7181 202.916 2.4544 6.152557       3.662251 
1 1 1 10 18 18 o 335.999 2.3819 1130.15  11.265  336.318 3.5502 335.679 3.1766 0.6395569      4.763882 
1 1 1 10 18 20 f 267.538 2.1359 716.659  8.0739  265.707 3.0999 269.369 2.9393 -3.661346      4.271858 
1 1 1 10 18 22 o 149.337 1.5597 223.023  3.2731  149.993 2.3413 148.680 2.0613 1.312912       3.119421 
1 1 1 10 18 24 o 104.542 1.6260 109.334  2.3735  104.336 2.0807 104.748 2.4992 -0.4123840     3.251980 
1 1 1 10 18 26 o 96.425  1.5686 93.050   2.1385  94.904  2.2202 97.947  2.2164 -3.043137      3.137176 
1 1 1 10 18 28 o 246.755 2.5406 612.072  8.2690  248.422 2.7502 245.087 4.2726 3.335159       5.081145 
1 1 1 10 18 30 o 29.544  4.2761 9.1543   1.7145  28.942  6.5498 30.146  5.4991 -1.204046      8.552166 
1 1 1 10 18 32 f 212.210 1.9759 451.572  5.8563  211.997 2.5300 212.423 3.0359 -0.4258575     3.951868 
1 1 1 10 18 34 o 19.318  4.6277 3.3489   1.5637  22.240  6.6601 16.395  6.4270 5.845573       9.255435 
1 1 1 10 18 36 o 31.768  4.5662 10.661   1.9464  31.152  5.7500 32.384  7.0950 -1.231720      9.132431 
1 1 1 10 18 38 o 32.382  4.6907 11.010   1.9332  32.426  4.7259 32.338  8.1040 0.8726883E-01  9.381309 
1 1 1 10 18 40 o 29.139  6.1213 9.1431   2.4360  30.023  5.9538 28.254  10.697 1.768671       12.24261 
1 1 1 10 18 42 o 30.969  4.3180 10.696   1.8495  38.357  4.9939 23.581  7.0457 14.77572       8.635985 
1 1 1 10 18 44 o 25.002  5.3621 7.3340   2.0354  25.025  6.9175 24.979  8.1948 0.4590988E-01  10.72415 
1 1 1 10 18 46 o 15.639  4.9446 -0.2950  2.1907  15.045  6.5572 16.233  7.4027 -1.187789      9.889239 
1 1 1 10 18 48 o 16.699  4.8489 1.9338   1.9500  18.278  6.8002 15.119  6.9140 3.159405       9.697740 
1 1 1 10 19 1  o 156.947 1.6838 246.298  3.7284  157.697 2.4698 156.196 2.2892 1.501450       3.367568 
1 1 1 10 19 3  o 318.085 2.4641 1012.27  11.063  318.679 3.6065 317.490 3.3585 1.189545       4.928126 
1 1 1 10 19 5  f 461.207 3.0739 2129.28  20.049  459.656 4.3617 462.758 4.3325 -3.101135      6.147806 
1 1 1 10 19 7  o 375.724 2.6445 1413.16  14.047  371.253 3.8009 380.195 3.6779 -8.941589      5.289037 
1 1 1 10 19 9  o 341.370 2.5473 1166.73  12.289  337.906 3.6847 344.834 3.5181 -6.927887      5.094511 
1 1 1 10 19 11 o 246.576 2.0326 608.296  7.0851  245.776 2.8317 247.376 2.9167 -1.600143      4.065167 
1 1 1 10 19 13 o 67.163  1.8044 45.319   1.6625  66.160  2.8953 68.166  2.1544 -2.005615      3.608885 
1 1 1 10 19 15 f 80.316  1.6153 64.260   1.7744  81.463  2.5865 79.170  1.9356 2.292839       3.230600 
1 1 1 10 19 17 o 232.102 2.0713 540.531  6.5486  230.215 3.3560 233.989 2.4286 -3.774094      4.142540 
1 1 1 10 19 19 o 238.280 2.0095 568.149  6.7585  238.942 2.9394 237.618 2.7408 1.324310       4.019021 
1 1 1 10 19 21 o 194.809 1.8715 380.424  5.1239  192.439 2.8203 197.179 2.4610 -4.739716      3.743071 
1 1 1 10 19 23 o 245.888 2.2355 606.151  7.7419  248.282 2.9832 243.495 3.3303 4.787064       4.471007 
1 1 1 10 19 25 o 46.111  2.5733 21.400   1.6577  51.230  3.3651 40.993  3.8940 10.23730       5.146587 
1 1 1 10 19 27 o 101.984 1.7756 104.126  2.5397  101.900 2.3184 102.069 2.6899 -0.1685257     3.551162 
1 1 1 10 19 29 o 54.327  2.7274 29.799   2.0746  59.259  3.5557 49.394  4.1366 9.865517       5.454731 
1 1 1 10 19 31 o 108.130 1.6522 117.137  2.5120  107.937 2.1887 108.322 2.4757 -0.3847809     3.304487 
1 1 1 10 19 33 o 43.484  2.5958 19.027   1.5963  43.337  3.6834 43.630  3.6586 -0.2936745     5.191589 
1 1 1 10 19 35 o 36.065  4.5172 13.418   2.2447  33.331  6.3582 38.799  6.4182 -5.468170      9.034388 
1 1 1 10 19 37 o 80.542  2.2259 65.011   2.2754  79.731  2.2423 81.353  3.8458 -1.622406      4.451757 
1 1 1 10 19 39 f 60.657  2.6144 37.392   2.1246  60.739  2.9434 60.575  4.3217 0.1634483      5.228826 
1 1 1 10 19 41 o 23.174  4.5251 5.9658   1.6770  28.164  5.6400 18.183  7.0778 9.980980       9.050138 
1 1 1 10 19 43 o 21.898  5.2447 5.2420   1.8841  21.144  6.7232 22.652  8.0515 -1.508179      10.48946 
1 1 1 10 19 45 o 15.068  4.6962 -0.1215  1.9711  15.605  6.6734 14.531  6.6092 1.073525       9.392320 
1 1 1 10 19 47 o 21.450  5.0825 5.4656   2.0511  25.818  6.9976 17.082  7.3731 8.736578       10.16510 
1 1 1 10 19 49 o 16.699  5.2354 1.6698   2.4053  16.253  6.9235 17.146  7.8552 -0.8932972     10.47084 
1 1 1 10 20 0  o 720.809 6.2727 5203.05  90.412  720.809 6.2727 ?       ?      0.000000       0.000000 
1 1 1 10 20 2  o 373.951 2.8450 1401.67  14.966  369.527 4.2679 378.376 3.7631 -8.848419      5.689984 
1 1 1 10 20 4  o 207.462 1.9157 430.628  5.6159  207.244 2.7728 207.679 2.6440 -0.4353180     3.831398 
1 1 1 10 20 6  o 356.233 2.6373 1270.39  13.273  355.364 3.8271 357.101 3.6297 -1.737091      5.274591 
1 1 1 10 20 8  o 176.384 1.6940 310.789  4.1793  177.880 2.5845 174.889 2.1905 2.990891       3.387909 
1 1 1 10 20 10 o 218.893 1.9514 479.159  6.0134  220.038 2.9018 217.749 2.6097 2.288666       3.902715 
1 1 1 10 20 12 o 189.090 1.6628 357.315  4.4098  190.551 2.5131 187.628 2.1779 2.922531       3.325536 
1 1 1 10 20 14 o 134.427 1.6177 180.439  3.0316  135.797 2.4920 133.057 2.0634 2.739777       3.235413 
1 1 1 10 20 16 o 69.662  2.2658 47.710   2.0691  72.394  3.7925 66.929  2.4804 5.464760       4.531640 
1 1 1 10 20 18 o 278.403 2.3603 775.504  9.2717  275.759 3.2185 281.047 3.4533 -5.288330      4.720546 
1 1 1 10 20 20 o 236.460 2.1293 559.150  7.0046  237.779 3.3029 235.141 2.6883 2.637787       4.258630 
1 1 1 10 20 22 o 94.802  1.6917 89.936   2.2626  95.168  2.4824 94.435  2.2988 0.7328186      3.383349 
1 1 1 10 20 24 o 175.883 1.8578 309.939  4.5538  175.459 2.8749 176.307 2.3540 -0.8482361     3.715662 
1 1 1 10 20 26 o 52.596  3.0758 27.197   2.1367  50.095  3.4414 55.097  5.0990 -5.001850      6.151654 
1 1 1 10 20 28 o 25.516  4.5263 6.5824   1.7414  32.635  6.0959 18.398  6.6925 14.23717       9.052605 
1 1 1 10 20 30 o 85.520  2.2746 72.564   2.5781  83.168  2.5335 87.872  3.7785 -4.703575      4.549247 
1 1 1 10 20 32 o 25.332  4.8777 6.6845   1.8495  21.212  7.1288 29.452  6.6594 -8.239616      9.755378 
1 1 1 10 20 34 o 46.165  3.1319 21.550   2.0352  46.682  4.6504 45.647  4.1963 1.034454       6.263850 
1 1 1 10 20 36 o 19.225  4.8927 3.2114   1.7216  21.213  7.1288 17.236  6.7032 3.977152       9.785354 
1 1 1 10 20 38 o 24.437  5.2820 6.3584   2.0813  27.347  6.6027 21.527  8.2462 5.820578       10.56392 
1 1 1 10 20 40 o 18.441  5.0300 2.8137   1.8398  18.327  6.6900 18.554  7.5133 -0.2269497     10.06007 
1 1 1 10 20 42 o 17.781  5.0320 1.9773   1.9773  20.308  7.5464 15.255  6.6587 5.053280       10.06406 
1 1 1 10 20 44 o 21.518  5.4109 5.2299   2.0993  22.749  7.5010 20.286  7.8004 2.462957       10.82178 
1 1 1 10 20 46 o 22.424  5.3982 6.2922   2.0897  24.018  7.3166 20.829  7.9391 3.189169       10.79637 
1 1 1 10 20 48 o 19.575  5.4819 4.3637   2.4246  22.838  8.1581 16.312  7.3248 6.525673       10.96389 
1 1 1 10 21 1  o 236.262 1.9587 558.336  6.5408  238.232 2.8142 234.293 2.7252 3.938934       3.917478 
1 1 1 10 21 3  o 154.553 1.7094 238.815  3.7284  155.893 2.4984 153.213 2.3338 2.679337       3.418864 
1 1 1 10 21 5  o 303.136 2.3094 919.732  9.8902  302.939 3.3512 303.332 3.1785 -0.3925476     4.618841 
1 1 1 10 21 7  o 51.073  2.5889 26.124   1.8164  51.003  4.1313 51.144  3.1211 -0.1408195     5.177708 
1 1 1 10 21 9  o 157.270 1.6945 247.543  3.7661  156.172 2.4531 158.367 2.3384 -2.195267      3.389088 
1 1 1 10 21 11 o 365.254 2.6228 1336.57  13.525  362.801 3.8366 367.708 3.5771 -4.906677      5.245508 
1 1 1 10 21 13 o 162.182 1.8151 261.968  4.0874  165.554 2.8154 158.809 2.2917 6.745193       3.630254 
1 1 1 10 21 15 o 127.455 1.7528 161.372  3.0231  130.120 2.8461 124.790 2.0467 5.329979       3.505572 
1 1 1 10 21 17 o 116.525 1.7828 135.617  2.9246  118.629 2.6374 114.422 2.3995 4.206802       3.565577 
1 1 1 10 21 19 o 160.036 2.0159 255.857  4.3599  161.001 3.2916 159.071 2.3281 1.930725       4.031742 
1 1 1 10 21 21 o 145.964 1.8102 213.339  3.7328  145.762 2.6283 146.165 2.4900 -0.4031830     3.620467 
1 1 1 10 21 23 o 146.392 1.6970 214.333  3.5013  148.061 2.5012 144.722 2.2942 3.338516       3.394031 
1 1 1 10 21 25 o 76.236  2.0750 58.195   2.2275  76.646  3.0823 75.825  2.7788 0.8209152      4.150012 
1 1 1 10 21 27 o 45.402  3.1971 20.852   1.9500  46.084  3.6023 44.719  5.2829 1.365395       6.394208 
1 1 1 10 21 29 o 106.479 1.7386 113.626  2.6163  107.013 2.5060 105.946 2.4107 1.066895       3.477262 
1 1 1 10 21 31 o 56.471  2.7629 32.136   2.1987  56.058  4.1004 56.884  3.7041 -0.8261070     5.525771 
1 1 1 10 21 33 o 81.454  2.0817 66.762   2.3906  82.060  2.8011 80.848  3.0801 1.212372       4.163319 
1 1 1 10 21 35 o 18.526  4.9080 2.2404   1.7923  14.441  6.1866 22.612  7.6210 -8.170460      9.816013 
1 1 1 10 21 37 o 67.260  2.3282 46.245   2.0318  68.774  2.4139 65.746  3.9818 3.027702       4.656347 
1 1 1 10 21 39 o 18.341  4.9790 2.1454   1.8815  13.883  6.1250 22.799  7.8515 -8.916116      9.958041 
1 1 1 10 21 41 o 24.943  5.6232 7.1512   2.1892  23.614  7.3418 26.273  8.5195 -2.658640      11.24649 
1 1 1 10 21 43 o 51.181  3.3004 27.680   2.2042  50.982  3.5067 51.380  5.5922 -0.3974800     6.600783 
1 1 1 10 21 45 o 17.619  5.0690 2.4810   2.0067  15.700  6.7532 19.538  7.5614 -3.838085      10.13808 
1 1 1 10 21 47 o 17.026  5.3304 1.6994   2.3854  14.289  6.4673 19.763  8.4751 -5.473931      10.66084 
1 1 1 10 22 0  o 307.280 3.2424 944.987  19.921  307.280 3.2424 ?       ?      0.000000       0.000000 
1 1 1 10 22 2  o 215.013 1.8898 462.558  5.7458  212.876 2.6695 217.149 2.6758 -4.273010      3.779661 
1 1 1 10 22 4  o 126.396 1.5541 159.648  2.7742  131.269 2.1888 121.523 2.2068 9.745483       3.108180 
1 1 1 10 22 6  o 72.543  2.0641 52.545   2.0761  73.283  3.2237 71.802  2.5788 1.481033       4.128299 
1 1 1 10 22 8  o 194.354 1.8128 378.047  4.9771  193.825 2.6354 194.883 2.4900 -1.058029      3.625665 
1 1 1 10 22 10 o 129.144 1.7860 166.655  3.2363  130.374 2.6936 127.915 2.3461 2.459053       3.572066 
1 1 1 10 22 12 o 142.613 1.9027 202.821  3.7927  145.400 2.8983 139.826 2.4659 5.574738       3.805345 
1 1 1 10 22 14 o 160.194 1.9300 256.405  4.2658  161.271 3.0486 159.117 2.3675 2.153702       3.859942 
1 1 1 10 22 16 o 146.450 1.7955 214.753  3.6758  146.810 2.3051 146.090 2.7535 0.7195892      3.590973 
1 1 1 10 22 18 o 145.816 1.7155 213.481  3.4828  143.526 2.6692 148.105 2.1556 -4.579163      3.430930 
1 1 1 10 22 20 o 98.072  1.9934 96.582   2.7218  96.788  3.1006 99.356  2.5063 -2.568016      3.986881 
1 1 1 10 22 22 o 141.237 1.8956 200.064  3.7401  140.066 2.9175 142.407 2.4212 -2.340958      3.791293 
1 1 1 10 22 24 o 105.304 1.8944 111.283  2.7964  104.018 2.8851 106.590 2.4560 -2.571686      3.788875 
1 1 1 10 22 26 f 67.772  2.1336 45.897   2.0253  69.354  3.2223 66.190  2.7975 3.163628       4.267193 
1 1 1 10 22 28 o 108.352 1.8319 117.044  2.7862  112.832 2.7163 103.871 2.4588 8.961159       3.663872 
1 1 1 10 22 30 o 96.217  1.7146 92.707   2.3196  97.195  2.5620 95.240  2.2794 1.955246       3.429249 
1 1 1 10 22 32 o 85.440  2.0382 73.231   2.4379  86.667  3.0943 84.213  2.6537 2.453766       4.076350 
1 1 1 10 22 34 o 40.842  3.4107 17.154   1.9469  43.982  4.3552 37.702  5.2500 6.280079       6.821323 
1 1 1 10 22 36 o 27.025  5.0259 7.9928   1.9344  28.036  7.4046 26.013  6.7978 2.022457       10.05174 
1 1 1 10 22 38 o 46.957  3.7145 23.258   2.4479  47.393  4.8501 46.522  5.6272 0.8715401      7.428919 
1 1 1 10 22 40 o 31.959  4.7386 12.238   2.1156  40.162  4.7695 23.756  8.1897 16.40592       9.477275 
1 1 1 10 22 42 o 19.079  5.5165 2.8526   2.3349  18.350  7.4137 19.808  8.1708 -1.458258      11.03292 
1 1 1 10 22 44 o 34.459  3.8908 13.345   1.8517  32.828  5.8506 36.089  5.1308 -3.260750      7.781678 
1 1 1 10 22 46 o 37.998  5.1964 19.093   2.5182  43.102  4.8886 32.895  9.1713 10.20720       10.39282 
1 1 1 10 23 1  o 204.765 1.9402 419.423  5.6159  207.614 2.7679 201.915 2.7195 5.699219       3.880344 
1 1 1 10 23 3  o 238.792 2.0703 569.890  6.9740  234.645 2.8300 242.940 3.0225 -8.294968      4.140563 
1 1 1 10 23 5  o 84.144  1.8576 70.154   2.1469  87.057  2.9337 81.232  2.2795 5.824356       3.715217 
1 1 1 10 23 7  o 124.882 1.8090 155.650  3.1721  127.202 2.7106 122.562 2.3964 4.639320       3.618037 
1 1 1 10 23 9  f 164.901 1.7270 272.354  4.0216  161.860 2.5247 167.942 2.3572 -6.082520      3.454030 
1 1 1 10 23 11 o 232.363 1.9760 540.939  6.4681  230.195 2.9402 234.530 2.6408 -4.334122      3.952029 
1 1 1 10 23 13 o 152.763 1.7746 233.607  3.8268  152.341 2.5986 153.185 2.4175 -0.8445587     3.549264 
1 1 1 10 23 15 o 135.385 2.1531 182.902  3.9867  133.834 2.5763 136.936 3.4505 -3.102249      4.306154 
1 1 1 10 23 17 o 97.616  2.2696 94.745   2.9779  99.606  3.7180 95.625  2.6041 3.981056       4.539227 
1 1 1 10 23 19 o 135.219 1.8878 183.061  3.6005  135.729 2.7755 134.708 2.5595 1.020569       3.775549 
1 1 1 10 23 21 o 53.596  2.4070 28.922   1.7308  52.919  3.9816 54.273  2.7059 -1.353405      4.814074 
1 1 1 10 23 23 o 63.323  2.7500 40.043   2.4247  64.957  4.2268 61.689  3.5191 3.267372       5.499989 
1 1 1 10 23 25 o 89.772  2.0499 80.849   2.5540  89.671  3.2042 89.873  2.5576 -0.2019272     4.099816 
1 1 1 10 23 27 o 46.667  3.1837 20.966   1.9503  51.478  5.2095 41.856  3.6612 9.621990       6.367327 
1 1 1 10 23 29 o 67.293  2.4796 45.163   2.3349  70.620  3.7070 63.965  3.2941 6.654408       4.959105 
1 1 1 10 23 31 o 61.032  2.6094 37.799   2.2348  65.426  3.4157 56.638  3.9457 8.787880       5.218762 
1 1 1 10 23 33 o 63.493  2.2183 40.728   1.9608  62.986  3.4466 63.999  2.7935 -1.012856      4.436551 
1 1 1 10 23 35 o 48.513  2.6536 23.950   1.8192  48.170  3.8441 48.857  3.6593 -0.6875229     5.307261 
1 1 1 10 23 37 o 31.063  4.6245 10.597   1.9464  34.669  6.6846 27.458  6.3923 7.211182       9.249090 
1 1 1 10 23 39 o 39.958  4.3840 18.090   2.1907  44.020  4.2065 35.896  7.6932 8.123108       8.768083 
1 1 1 10 23 41 o 21.581  5.4482 5.1893   2.0761  20.835  7.2439 22.328  8.1399 -1.493006      10.89638 
1 1 1 10 23 43 o 18.923  5.2928 3.2129   2.1913  20.906  7.5750 16.939  7.3943 3.967213       10.58567 
1 1 1 10 23 45 o 19.604  5.4464 4.4642   2.2968  21.889  7.9230 17.319  7.4753 4.569742       10.89283 
1 1 1 10 24 0  f 328.451 3.6168 1079.97  23.752  328.451 3.6168 ?       ?      0.000000       0.000000 
1 1 1 10 24 2  o 242.459 2.0947 588.176  7.1796  238.777 2.9415 246.140 2.9832 -7.363129      4.189459 
1 1 1 10 24 4  o 156.147 1.6804 244.296  3.6989  153.731 2.4920 158.563 2.2550 -4.832184      3.360853 
1 1 1 10 24 6  o 104.810 1.8743 109.907  2.7742  104.204 2.5735 105.416 2.7256 -1.212158      3.748623 
1 1 1 10 24 8  o 195.318 1.9661 381.688  5.4153  194.232 2.6627 196.404 2.8934 -2.171707      3.932138 
1 1 1 10 24 10 o 236.160 2.2657 558.501  7.5651  236.178 3.1631 236.143 3.2447 0.3543091E-01  4.531331 
1 1 1 10 24 12 o 171.812 1.8408 295.580  4.4659  170.990 2.6886 172.635 2.5150 -1.645111      3.681578 
1 1 1 10 24 14 o 202.998 2.1324 413.119  6.0601  204.047 2.7537 201.949 3.2566 2.098343       4.264747 
1 1 1 10 24 16 o 161.627 1.8825 260.750  4.2008  163.689 2.9645 159.564 2.3209 4.124756       3.764980 
1 1 1 10 24 18 o 111.353 1.9347 124.287  2.9140  111.067 3.1619 111.640 2.2305 -0.5733490     3.869454 
1 1 1 10 24 20 o 92.484  1.9765 85.852   2.4053  92.036  3.3300 92.932  2.1299 -0.8963928     3.952929 
1 1 1 10 24 22 o 50.067  3.0579 25.035   2.0585  50.970  5.0109 49.165  3.5065 1.804413       6.115881 
1 1 1 10 24 24 o 22.310  5.1095 4.8016   1.7793  22.004  8.2141 22.616  6.0792 -0.6123447     10.21898 
1 1 1 10 24 26 o 79.116  2.2043 62.503   2.3188  80.213  3.6617 78.019  2.4552 2.193886       4.408601 
1 1 1 10 24 28 o 43.320  3.1991 19.675   1.7966  39.349  5.5170 47.291  3.2404 -7.941280      6.398283 
1 1 1 10 24 30 o 91.724  2.2029 85.044   2.8324  89.251  3.3624 94.197  2.8469 -4.945946      4.405747 
1 1 1 10 24 32 o 65.691  2.3769 43.596   2.1913  65.786  3.5911 65.595  3.1149 0.1912842      4.753805 
1 1 1 10 24 34 o 15.075  4.7259 -1.1892  2.0352  14.398  6.6026 15.751  6.7634 -1.352433      9.451824 
1 1 1 10 24 36 o 16.379  4.6485 1.5445   1.6866  15.017  6.4924 17.741  6.6546 -2.724317      9.297044 
1 1 1 10 24 38 o 53.768  3.1507 29.889   2.3429  51.341  3.9797 56.196  4.8857 -4.855175      6.301439 
1 1 1 10 24 40 o 53.890  3.2782 31.785   2.3003  59.057  3.3516 48.723  5.6350 10.33318       6.556444 
1 1 1 10 24 42 o 25.031  5.3149 7.6585   2.2662  31.052  7.3098 19.009  7.7176 12.04270       10.62988 
1 1 1 10 24 44 o 19.018  5.8100 2.2313   2.9275  14.556  6.8578 23.481  9.3806 -8.925494      11.62005 
1 1 1 10 25 1  o 116.612 1.9824 136.004  3.2251  117.147 3.0523 116.076 2.5303 1.071129       3.964706 
1 1 1 10 25 3  o 60.464  3.0244 36.650   2.5855  60.466  4.2239 60.463  4.3297 0.3704071E-02  6.048778 
1 1 1 10 25 5  o 77.742  2.3507 60.569   2.4966  77.560  3.7869 77.923  2.7860 -0.3633347     4.701300 
1 1 1 10 25 7  o 114.939 1.7876 132.248  2.9048  114.410 2.5672 115.468 2.4884 -1.057816      3.575261 
1 1 1 10 25 9  o 120.765 1.9104 145.851  3.2363  121.679 2.8861 119.851 2.5039 1.827934       3.820874 
1 1 1 10 25 11 o 88.265  1.9574 77.891   2.3843  88.827  3.0909 87.703  2.4025 1.123695       3.914821 
1 1 1 10 25 13 o 46.542  3.2147 21.959   2.0354  45.075  5.2412 48.009  3.7239 -2.933643      6.429464 
1 1 1 10 25 15 o 226.015 2.3628 513.685  7.4534  221.932 3.6538 230.098 2.9969 -8.165878      4.725666 
1 1 1 10 25 17 o 114.045 1.9177 131.196  2.9573  111.583 3.1472 116.507 2.1922 -4.923798      3.835446 
1 1 1 10 25 19 o 118.849 2.2096 141.773  3.4016  118.510 3.7714 119.188 2.3036 -0.6773224     4.419286 
1 1 1 10 25 21 o 119.917 1.9032 144.239  3.2216  119.003 2.7900 120.832 2.5893 -1.828369      3.806395 
1 1 1 10 25 23 o 132.443 1.9667 175.350  3.4310  133.416 3.3022 131.470 2.1369 1.946045       3.933318 
1 1 1 10 25 25 o 107.647 1.8251 115.595  2.6505  109.276 2.9799 106.018 2.1079 3.258644       3.650116 
1 1 1 10 25 27 o 77.286  2.3559 59.932   2.4053  77.648  3.9471 76.925  2.5731 0.7225037      4.711722 
1 1 1 10 25 29 o 30.802  5.2763 9.6893   2.1550  35.768  8.2033 25.836  6.6380 9.932026       10.55264 
1 1 1 10 25 31 o 30.695  6.6506 10.082   3.0211  29.051  11.246 32.339  7.1035 -3.287613      13.30126 
1 1 1 10 25 33 o 27.431  5.7668 8.3342   2.4246  25.576  8.4134 29.286  7.8890 -3.710182      11.53350 
1 1 1 10 25 35 o 53.246  3.6243 29.396   2.5297  54.523  6.0896 51.968  3.9317 2.555302       7.248509 
1 1 1 10 25 37 o 34.061  5.1742 13.362   2.4196  36.893  7.1790 31.229  7.4534 5.663551       10.34847 
1 1 1 10 25 39 o 24.655  5.6698 7.2300   2.2042  24.839  6.9353 24.472  8.9714 0.3663979      11.33953 
1 1 1 10 25 41 o 16.059  4.8036 1.4069   1.8830  16.109  6.7715 16.009  6.8150 0.9979057E-01  9.607155 
1 1 1 10 25 43 o 15.671  5.0421 -0.8013  2.5476  17.374  7.5382 13.968  6.6983 3.405981       10.08420 
1 1 1 10 26 0  o 288.320 3.4558 832.482  19.921  288.320 3.4558 ?       ?      0.000000       0.000000 
1 1 1 10 26 2  f 142.340 1.8725 202.855  3.7628  142.312 2.7369 142.368 2.5564 -0.5654907E-01 3.745057 
1 1 1 10 26 4  o 65.597  2.2509 43.304   2.0707  67.938  2.9135 63.255  3.4320 4.683250       4.501873 
1 1 1 10 26 6  o 128.399 1.7631 165.363  3.1874  126.006 2.6350 130.792 2.3433 -4.786209      3.526200 
1 1 1 10 26 8  o 200.577 2.1150 401.342  5.8633  203.904 3.3193 197.251 2.6220 6.653137       4.229951 
1 1 1 10 26 10 o 161.113 2.2587 258.759  4.8832  158.900 2.5717 163.326 3.7139 -4.425140      4.517396 
1 1 1 10 26 12 o 70.259  2.2517 49.336   2.2183  71.473  3.3947 69.045  2.9593 2.427971       4.503496 
1 1 1 10 26 14 o 83.464  2.3797 69.725   2.8036  81.790  3.2788 85.138  3.4498 -3.348404      4.759396 
1 1 1 10 26 16 f 80.134  2.4438 64.103   2.6728  81.330  3.9254 78.938  2.9119 2.392204       4.887557 
1 1 1 10 26 18 f 118.634 2.1661 140.734  3.4377  119.508 3.5797 117.760 2.4399 1.747818       4.332134 
1 1 1 10 26 20 o 82.860  2.1010 69.755   2.3225  80.042  3.5099 85.679  2.3102 -5.637695      4.201996 
1 1 1 10 26 22 o 43.274  4.0389 20.357   2.0188  38.724  7.3560 47.824  3.3378 -9.099945      8.077833 
1 1 1 10 26 24 f 116.909 2.1163 136.663  3.4139  118.756 3.3335 115.063 2.6081 3.692223       4.232553 
1 1 1 10 26 26 o 82.075  2.9271 67.187   2.9904  83.733  5.1091 80.417  2.8584 3.315903       5.854299 
1 1 1 10 26 28 o 34.576  4.6838 12.850   1.9670  32.607  8.3766 36.545  4.1932 -3.937836      9.367544 
1 1 1 10 26 30 o 19.966  5.5016 2.9025   2.1691  21.658  8.4187 18.274  7.0850 3.383905       11.00323 
1 1 1 10 26 32 o 57.460  3.4106 34.245   2.7396  54.601  5.2623 60.318  4.3401 -5.717373      6.821157 
1 1 1 10 26 34 o 15.866  5.0584 -1.7606  2.3429  18.838  8.0935 12.893  6.0699 5.945115       10.11672 
1 1 1 10 26 36 o 19.122  5.3934 2.5828   2.2662  21.269  7.8944 16.975  7.3506 4.294443       10.78671 
1 1 1 10 26 38 o 29.074  5.5442 10.498   2.3658  32.211  6.5709 25.937  8.9319 6.273687       11.08849 
1 1 1 10 26 40 o 27.907  5.8572 10.174   2.4885  29.216  8.0511 26.597  8.5091 2.618372       11.71431 
1 1 1 10 26 42 o 16.161  5.0514 1.1223   2.2555  16.830  7.4177 15.491  6.8588 1.339289       10.10274 
1 1 1 10 27 1  o 195.367 1.9643 382.248  5.4265  197.291 2.7833 193.442 2.7726 3.849060       3.928617 
1 1 1 10 27 3  f 123.193 1.8131 151.420  3.1448  118.981 2.4686 127.405 2.6562 -8.423866      3.626152 
1 1 1 10 27 5  o 84.170  2.2318 70.926   2.6309  84.686  3.3929 83.654  2.9004 1.031563       4.463616 
1 1 1 10 27 7  o 276.082 2.4460 764.300  9.5404  275.001 3.5524 277.162 3.3634 -2.160614      4.892054 
1 1 1 10 27 9  o 259.175 2.7860 673.862  10.036  259.347 3.4960 259.004 4.3388 0.3433533      5.572009 
1 1 1 10 27 11 o 118.807 1.9595 140.999  3.2632  120.859 2.9585 116.755 2.5703 4.103851       3.919091 
1 1 1 10 27 13 o 100.586 2.0457 101.409  2.8964  100.448 3.0512 100.725 2.7258 -0.2776947     4.091410 
1 1 1 10 27 15 o 27.007  4.9357 7.6925   2.0067  21.776  7.7119 32.237  6.1621 -10.46108      9.871433 
1 1 1 10 27 17 o 49.142  3.1620 23.895   2.1469  52.658  4.8502 45.627  4.0583 7.031349       6.324089 
1 1 1 10 27 19 o 52.269  2.9500 27.659   1.9832  51.634  5.0701 52.904  3.0173 -1.270218      5.899944 
1 1 1 10 27 21 o 79.587  2.7842 65.096   2.8651  75.984  4.7898 83.191  2.8398 -7.206291      5.568354 
1 1 1 10 27 23 o 62.295  2.5818 38.866   2.2303  63.576  4.0173 61.013  3.2442 2.563271       5.163615 
1 1 1 10 27 25 o 66.566  2.4323 44.874   2.1454  65.784  4.0765 67.347  2.6546 -1.562187      4.864687 
1 1 1 10 27 27 o 26.080  5.4964 7.1896   2.1180  25.710  8.8321 26.451  6.5449 -0.7411880     10.99279 
1 1 1 10 27 29 o 43.744  3.8897 19.694   2.1727  43.815  6.7034 43.673  3.9474 0.1421967      7.779364 
1 1 1 10 27 31 o 40.314  3.8954 16.958   2.0789  40.113  6.5262 40.514  4.2552 -0.4004059     7.790883 
1 1 1 10 27 33 o 17.626  5.3301 0.8939   2.3607  17.813  7.6291 17.438  7.4457 0.3745422      10.66029 
1 1 1 10 27 35 o 20.287  5.5165 3.8949   2.2348  20.365  7.8088 20.209  7.7942 0.1561394      11.03295 
1 1 1 10 27 37 o 19.358  5.6139 2.8733   2.4902  17.778  7.6741 20.938  8.1959 -3.159252      11.22786 
1 1 1 10 27 39 o 17.562  5.2661 1.9929   2.2447  16.576  7.0469 18.549  7.8274 -1.972370      10.53222 
1 1 1 10 27 41 o 16.578  5.2631 0.9194   2.5285  15.313  6.9480 17.843  7.9074 -2.529404      10.52623 
1 1 1 10 28 0  o 236.325 3.7576 559.713  17.750  236.325 3.7576 ?       ?      0.000000       0.000000 
1 1 1 10 28 2  o 95.153  2.4183 90.207   3.2363  88.662  3.3847 101.644 3.4550 -12.98256      4.836659 
1 1 1 10 28 4  o 56.781  3.0864 32.819   2.4263  50.034  4.8493 63.528  3.8193 -13.49399      6.172737 
1 1 1 10 28 6  o 77.598  3.0284 60.418   3.3092  77.082  4.0589 78.115  4.4957 -1.032845      6.056855 
1 1 1 10 28 8  o 55.491  3.3995 31.799   2.4758  51.815  5.7917 59.167  3.5612 -7.351871      6.799016 
1 1 1 10 28 10 o 191.348 2.6770 366.707  7.2233  185.919 3.6747 196.777 3.8938 -10.85721      5.353972 
1 1 1 10 28 12 o 256.098 2.7502 660.900  9.8272  252.165 4.2539 260.030 3.4868 -7.864929      5.500323 
1 1 1 10 28 14 o 44.745  3.4578 20.600   2.0374  42.467  5.8637 47.023  3.6662 -4.555477      6.915538 
1 1 1 10 28 16 o 136.304 2.4407 186.405  4.6563  137.464 3.7159 135.144 3.1655 2.320374       4.881424 
1 1 1 10 28 18 o 172.610 2.1188 299.379  5.0827  172.053 3.3029 173.167 2.6548 -1.113876      4.237553 
1 1 1 10 28 20 o 124.062 2.0009 155.251  3.4561  120.756 3.1197 127.367 2.5066 -6.610329      4.001884 
1 1 1 10 28 22 o 112.239 2.0054 126.946  3.1345  110.568 3.1184 113.909 2.5224 -3.340973      4.010839 
1 1 1 10 28 24 o 30.935  5.3953 10.011   2.1140  31.919  9.2609 29.950  5.5381 1.968767       10.79051 
1 1 1 10 28 26 o 33.326  4.9534 13.314   2.2042  24.279  8.9634 42.373  4.2192 -18.09411      9.906780 
1 1 1 10 28 28 o 59.425  3.3196 36.471   2.6051  58.261  5.5893 60.589  3.5830 -2.327816      6.639151 
1 1 1 10 28 30 o 49.667  5.2304 28.901   2.5218  44.035  9.9486 55.298  3.2331 -11.26223      10.46078 
1 1 1 10 28 32 o 46.129  4.8214 23.121   2.5100  46.070  8.7701 46.189  4.0089 -0.1195488     9.642895 
1 1 1 10 28 34 f 17.723  5.3188 1.1668   2.2776  20.918  8.4000 14.527  6.5267 6.391168       10.63756 
1 1 1 10 28 36 o 13.481  4.4497 -4.3241  2.2543  12.037  5.9441 14.926  6.6231 -2.888208      8.899311 
1 1 1 10 28 38 o 20.880  4.9655 3.9657   2.2321  15.179  7.1376 26.582  6.9050 -11.40310      9.930963 
1 1 1 10 28 40 o 19.810  5.5229 4.8526   2.2986  18.506  7.6472 21.113  7.9706 -2.606695      11.04586 
1 1 1 10 29 1  o 100.150 2.3673 100.513  3.3445  101.346 3.4651 98.954  3.2263 2.392906       4.734548 
1 1 1 10 29 3  o 99.339  2.4896 99.026   3.4444  99.342  3.1494 99.336  3.8566 0.6164551E-02  4.979205 
1 1 1 10 29 5  o 50.725  4.0133 25.991   2.8719  53.358  5.5046 48.093  5.8417 5.264763       8.026545 
1 1 1 10 29 7  o 125.163 3.0052 155.444  5.1265  130.461 4.7963 119.865 3.6223 10.59646       6.010458 
1 1 1 10 29 9  o 79.514  2.8955 62.501   3.0572  82.780  4.7822 76.248  3.2659 6.532219       5.790993 
1 1 1 10 29 11 o 34.196  4.9235 12.273   2.2702  34.706  7.5687 33.685  6.2992 1.021538       9.847078 
1 1 1 10 29 13 o 119.757 2.1731 143.888  3.6489  119.287 2.8369 120.226 3.2927 -0.9396973     4.346288 
1 1 1 10 29 15 o 100.329 2.3422 101.802  3.2632  97.229  3.6775 103.428 2.9015 -6.198166      4.684323 
1 1 1 10 29 17 o 149.506 2.0762 226.068  4.3184  143.484 3.2485 155.528 2.5864 -12.04329      4.152374 
1 1 1 10 29 19 o 147.984 2.0099 220.634  4.1625  144.963 3.0832 151.005 2.5793 -6.041519      4.019829 
1 1 1 10 29 21 o 51.427  3.4199 27.856   2.2042  47.707  6.0228 55.147  3.2419 -7.440418      6.839865 
1 1 1 10 29 23 o 47.269  4.6309 23.491   2.5798  46.275  8.3042 48.263  4.1012 -1.987652      9.261760 
1 1 1 10 29 25 o 66.636  2.9115 45.356   2.3936  65.930  5.1328 67.342  2.7496 -1.411911      5.822924 
1 1 1 10 29 27 o 16.513  4.8652 0.4257   1.8729  16.153  7.4496 16.873  6.2596 -0.7192593     9.730325 
1 1 1 10 29 29 o 20.041  5.6775 2.7170   2.2230  24.619  9.2977 15.463  6.5185 9.156458       11.35506 
1 1 1 10 29 31 o 56.911  3.0192 34.006   2.2779  55.407  5.0705 58.415  3.2791 -3.007977      6.038413 
1 1 1 10 29 33 o 32.480  4.9723 11.424   1.9265  34.959  8.7734 30.001  4.6822 4.957693       9.944590 
1 1 1 10 29 35 o 24.969  5.6687 7.7844   2.2626  25.098  8.1948 24.841  7.8345 0.2562084      11.33732 
1 1 1 10 29 37 o 22.132  4.9582 5.0570   2.2986  15.458  7.2564 28.807  6.7587 -13.34906      9.916434 
1 1 1 10 29 39 o 21.746  5.5859 6.2386   2.3940  17.725  7.6115 25.767  8.1777 -8.042223      11.17183 
1 1 1 10 30 0  o 17.824  10.561 3.8310   6.3850  17.824  10.561 ?       ?      0.000000       0.000000 
1 1 1 10 30 2  o 116.832 2.7850 137.284  4.5893  116.750 4.1018 116.915 3.7683 -0.1649017     5.569953 
1 1 1 10 30 4  f 129.233 3.0289 166.504  5.3011  132.825 4.9032 125.641 3.5574 7.184601       6.057786 
1 1 1 10 30 6  o 54.512  4.0600 30.313   3.0964  50.288  6.2215 58.735  5.2180 -8.447533      8.120038 
1 1 1 10 30 8  o 65.765  3.0104 43.975   2.6921  63.709  4.9109 67.821  3.4834 -4.112644      6.020861 
1 1 1 10 30 10 o 30.197  6.0213 9.6442   2.7983  34.612  6.8855 25.782  9.8799 8.830345       12.04253 
1 1 1 10 30 12 o 67.374  3.1955 46.307   2.9887  63.448  5.0317 71.300  3.9403 -7.851521      6.390934 
1 1 1 10 30 14 o 61.629  3.4664 38.587   2.9996  58.351  5.2524 64.906  4.5252 -6.555672      6.932888 
1 1 1 10 30 16 o 68.257  2.9956 47.207   2.8605  66.577  4.6034 69.937  3.8345 -3.359451      5.991203 
1 1 1 10 30 18 o 58.979  2.9953 35.309   2.4902  61.740  4.0333 56.219  4.4294 5.521206       5.990611 
1 1 1 10 30 20 f 52.777  3.6557 29.106   2.4437  50.006  6.3843 55.548  3.5634 -5.541927      7.311434 
1 1 1 10 30 22 o 100.397 2.4527 102.494  3.4184  97.810  3.8515 102.985 3.0380 -5.174561      4.905472 
1 1 1 10 30 24 o 64.099  2.6408 41.717   2.3906  66.097  3.7674 62.100  3.7015 3.997421       5.281520 
1 1 1 10 30 26 o 26.724  5.5927 7.8869   2.1907  28.545  8.6495 24.904  7.0921 3.640289       11.18534 
1 1 1 10 30 28 o 27.700  5.4717 8.2773   2.7731  18.865  8.3546 36.535  7.0680 -17.67047      10.94332 
1 1 1 10 30 30 f 22.917  5.6994 5.3459   2.2321  27.620  8.9333 18.214  7.0802 9.406271       11.39878 
1 1 1 10 30 32 o 18.907  5.5345 2.4040   2.2412  19.708  8.7439 18.107  6.7875 1.601484       11.06909 
1 1 1 10 30 34 o 26.606  6.3976 8.8507   2.7505  31.749  10.059 21.463  7.9077 10.28683       12.79518 
1 1 1 10 30 36 o 12.568  4.3698 -8.4042  2.7133  13.860  6.6782 11.275  5.6377 2.584496       8.739695 
1 1 1 10 30 38 o 20.188  5.6298 5.2272   2.3837  22.493  8.4213 17.884  7.4741 4.609180       11.25968 
1 1 1 10 31 1  o 118.020 2.3905 139.140  3.9475  122.338 3.6012 113.703 3.1447 8.635201       4.781015 
1 1 1 10 31 3  o 31.424  6.0115 10.586   2.7964  34.953  7.6973 27.896  9.2361 7.057743       12.02303 
1 1 1 10 31 5  o 34.627  5.8692 12.661   2.7196  36.137  6.0075 33.118  10.085 3.018967       11.73839 
1 1 1 10 31 7  o 67.525  3.0351 45.368   2.8627  73.506  4.4301 61.544  4.1499 11.96191       6.070165 
1 1 1 10 31 9  o 37.369  4.9694 14.622   2.5476  35.287  7.8075 39.452  6.1501 -4.164989      9.938820 
1 1 1 10 31 11 o 81.967  2.9167 67.406   3.3648  85.695  4.2470 78.239  3.9989 7.455711       5.833355 
1 1 1 10 31 13 o 100.168 2.2588 101.062  3.1874  98.710  3.3636 101.625 3.0158 -2.915588      4.517635 
1 1 1 10 31 15 o 49.772  4.1800 25.346   2.9149  50.432  6.3304 49.113  5.4604 1.319023       8.359991 
1 1 1 10 31 17 f 76.348  3.1091 58.888   3.3154  78.112  4.7410 74.584  4.0236 3.527885       6.218246 
1 1 1 10 31 19 o 63.037  2.8272 40.187   2.5120  65.864  4.0716 60.211  3.9237 5.653469       5.654464 
1 1 1 10 31 21 o 29.431  6.2867 9.3520   2.8222  33.699  9.3439 25.163  8.4134 8.535490       12.57350 
1 1 1 10 31 23 o 26.132  6.2898 7.1326   2.6832  26.526  9.8861 25.739  7.7789 0.7869530      12.57956 
1 1 1 10 31 25 o 21.914  5.6369 3.8310   2.0572  29.073  9.4295 14.755  6.1792 14.31861       11.27379 
1 1 1 10 31 27 o 35.571  5.3236 14.505   2.5416  34.416  8.8556 36.726  5.9111 -2.310192      10.64715 
1 1 1 10 31 29 o 25.844  5.2869 7.8677   2.2389  20.867  8.8370 30.821  5.8062 -9.954809      10.57376 
1 1 1 10 31 31 f 35.031  5.4969 14.976   2.3694  31.842  9.9490 38.220  4.6777 -6.377979      10.99384 
1 1 1 10 31 33 o 22.271  6.1078 5.6664   2.5317  24.552  9.6979 19.990  7.4276 4.561880       12.21551 
1 1 1 10 31 35 o 40.378  5.6397 20.036   2.8355  45.695  9.2659 35.062  6.4318 10.63355       11.27935 
1 1 1 10 32 0  o 182.088 3.0175 332.533  10.982  182.088 3.0175 ?       ?      0.000000       0.000000 
1 1 1 10 32 2  o 76.752  2.4765 59.314   2.6756  75.899  3.7015 77.605  3.2911 -1.705559      4.953003 
1 1 1 10 32 4  o 58.544  3.1763 34.594   2.5930  58.598  4.9033 58.490  4.0391 0.1083374      6.352696 
1 1 1 10 32 6  o 51.277  3.1536 26.736   2.2626  48.703  4.8508 53.852  4.0313 -5.148983      6.307217 
1 1 1 10 32 8  o 94.040  2.1381 88.688   2.8238  95.732  3.2015 92.349  2.8348 3.383064       4.276126 
1 1 1 10 32 10 o 130.004 2.0166 170.098  3.7033  126.419 2.9294 133.589 2.7722 -7.170662      4.033167 
1 1 1 10 32 12 o 50.721  3.8853 26.240   2.7478  51.234  5.9820 50.208  4.9597 1.025761       7.770654 
1 1 1 10 32 14 o 116.019 2.1622 135.482  3.5296  116.900 3.2226 115.138 2.8837 1.762115       4.324428 
1 1 1 10 32 16 o 96.360  2.3105 93.663   3.0818  96.806  3.6277 95.915  2.8625 0.8908005      4.621015 
1 1 1 10 32 18 o 18.947  5.4194 1.7161   2.3091  17.627  7.6914 20.267  7.6369 -2.639736      10.83885 
1 1 1 10 32 20 o 39.632  5.0253 17.559   2.3242  36.261  9.1505 43.004  4.1573 -6.742413      10.05065 
1 1 1 10 32 22 o 20.553  5.4311 3.8596   1.9670  22.437  8.6421 18.668  6.5802 3.768744       10.86213 
1 1 1 10 32 24 o 19.895  5.6003 3.1006   2.2067  21.219  8.8029 18.571  6.9256 2.648174       11.20062 
1 1 1 10 32 26 o 34.420  5.2323 13.743   2.4099  31.797  8.8929 37.042  5.5159 -5.245380      10.46465 
1 1 1 10 32 28 o 31.992  5.2737 12.587   2.2230  27.496  9.4299 36.487  4.7249 -8.990490      10.54738 
1 1 1 10 32 30 o 18.239  5.1886 1.0847   2.3774  15.464  7.4246 21.014  7.2499 -5.550076      10.37713 
1 1 1 10 32 32 o 20.851  5.9183 4.5126   2.2802  24.013  9.7263 17.689  6.7456 6.323332       11.83653 
1 1 1 10 32 34 o 18.039  5.6385 2.4397   2.3654  21.053  9.2624 15.024  6.4326 6.028496       11.27697 
1 1 1 10 33 1  o 80.121  2.6197 64.707   2.9605  81.991  3.8159 78.252  3.5902 3.739220       5.239332 
1 1 1 10 33 3  o 27.365  5.8436 7.8511   2.4247  29.953  8.6705 24.778  7.8367 5.175699       11.68722 
1 1 1 10 33 5  o 119.572 2.2469 144.055  3.7988  119.137 3.2156 120.007 3.1391 -0.8694153     4.493831 
1 1 1 10 33 7  o 108.557 2.1031 118.714  3.2216  107.301 3.0943 109.813 2.8491 -2.512527      4.206192 
1 1 1 10 33 9  o 62.441  3.2618 39.577   2.8506  63.013  4.9651 61.870  4.2313 1.143261       6.523506 
1 1 1 10 33 11 o 26.326  5.3752 7.0029   2.0789  31.976  8.1589 20.675  7.0004 11.30175       10.75046 
1 1 1 10 33 13 o 23.170  5.5502 5.1115   2.2951  20.214  8.2262 26.126  7.4531 -5.911762      11.10040 
1 1 1 10 33 15 o 30.870  5.9013 10.441   2.5386  32.220  9.3571 29.521  7.1935 2.699146       11.80263 
1 1 1 10 33 17 o 78.221  2.5287 61.923   2.6253  78.780  4.2145 77.662  2.7954 1.118782       5.057304 
1 1 1 10 33 19 o 51.067  3.3446 26.979   2.3429  51.413  5.3402 50.721  4.0283 0.6920013      6.689198 
1 1 1 10 33 21 o 28.945  6.0533 9.2401   2.4978  34.485  9.5105 23.405  7.4912 11.08049       12.10654 
1 1 1 10 33 23 o 28.380  5.9359 9.4531   2.4758  31.160  9.0794 25.601  7.6489 5.558941       11.87184 
1 1 1 10 33 25 o 41.769  4.9023 19.415   2.6157  43.014  8.3124 40.523  5.1996 2.491108       9.804691 
1 1 1 10 33 27 o 46.354  4.7973 22.942   2.7951  50.779  8.1733 41.929  5.0253 8.849842       9.594579 
1 1 1 10 33 29 o 42.072  4.5475 20.381   2.4519  40.929  7.7693 43.215  4.7281 -2.286095      9.094904 
1 1 1 10 33 31 o 29.163  5.4783 11.490   2.3396  24.715  9.5790 33.612  5.3190 -8.896736      10.95667 
1 1 1 10 33 33 o 38.094  5.4559 18.739   2.5642  37.659  9.6267 38.529  5.1374 -0.8698616     10.91175 
1 1 1 10 34 0  o 98.003  2.9376 96.670   5.7465  98.003  2.9376 ?       ?      0.000000       0.000000 
1 1 1 10 34 2  f 60.072  3.2700 36.781   2.7771  59.846  4.6944 60.298  4.5534 -0.4516029     6.539923 
1 1 1 10 34 4  o 24.192  5.6217 6.0238   2.2183  24.049  8.2987 24.336  7.5859 -0.2870541     11.24341 
1 1 1 10 34 6  o 19.134  5.4099 2.0503   2.1851  19.059  8.1876 19.210  7.0734 -0.1509533     10.81985 
1 1 1 10 34 8  o 35.666  5.0878 13.860   2.4640  32.515  8.3903 38.816  5.7573 -6.301319      10.17565 
1 1 1 10 34 10 o 58.705  3.0300 35.324   2.4885  64.547  3.9568 52.862  4.5899 11.68584       6.060026 
1 1 1 10 34 12 o 26.192  5.8822 7.2837   2.5524  29.846  8.1263 22.538  8.5068 7.308586       11.76445 
1 1 1 10 34 14 o 24.827  5.6360 6.4497   2.3735  21.314  8.3876 28.339  7.5303 -7.024820      11.27197 
1 1 1 10 34 16 o 26.220  5.5166 7.1512   2.1851  33.058  8.4624 19.381  7.0795 13.67629       11.03319 
1 1 1 10 34 18 o 31.901  5.8683 11.639   2.5586  34.484  9.2499 29.318  7.2242 5.166220       11.73665 
1 1 1 10 34 20 o 20.267  5.6183 3.1941   2.4312  18.818  8.2732 21.716  7.6037 -2.897285      11.23663 
1 1 1 10 34 22 o 25.069  6.1913 6.7313   2.9516  21.495  9.3605 28.642  8.1061 -7.147717      12.38259 
1 1 1 10 34 24 o 16.409  5.2376 -0.2101  2.2275  18.671  8.4531 14.147  6.1868 4.524350       10.47529 
1 1 1 10 34 26 o 23.852  6.1692 6.4451   2.4789  28.484  9.9690 19.220  7.2702 9.263378       12.33843 
1 1 1 10 34 28 o 58.000  2.8933 35.565   2.1550  57.803  4.9708 58.198  2.9622 -0.3952713     5.786522 
1 1 1 10 34 30 o 33.705  5.1096 13.541   2.2067  39.647  8.0106 27.763  6.3454 11.88495       10.21928 
1 1 1 10 34 32 o 17.445  5.5995 2.0459   2.4576  19.822  9.1610 15.068  6.4414 4.754010       11.19894 
1 1 1 10 35 1  o 73.299  2.7981 54.140   2.8627  69.107  3.6957 77.490  4.2023 -8.383110      5.596224 
1 1 1 10 35 3  o 80.098  2.7749 65.557   3.1274  76.680  4.1634 83.516  3.6697 -6.835533      5.549869 
1 1 1 10 35 5  o 45.056  4.3871 21.378   2.6921  43.848  7.1353 46.265  5.1064 -2.417431      8.774249 
1 1 1 10 35 7  o 26.981  5.9304 7.7711   2.6163  22.388  8.4136 31.575  8.3601 -9.186703      11.86081 
1 1 1 10 35 9  o 17.353  5.4869 -2.0762  2.8381  15.760  7.3871 18.946  8.1150 -3.186542      10.97372 
1 1 1 10 35 11 o 42.300  5.0178 19.869   2.5317  39.971  9.0023 44.628  4.4352 -4.657269      10.03560 
1 1 1 10 35 13 o 50.641  4.2465 27.404   2.8451  50.193  7.1238 51.089  4.6242 -0.8965721     8.493054 
1 1 1 10 35 15 o 35.500  5.9115 15.159   2.8551  30.802  10.348 40.197  5.7183 -9.395744      11.82305 
1 1 1 10 35 17 o 47.059  3.7974 23.195   2.4312  49.579  6.0529 44.540  4.5874 5.039448       7.594866 
1 1 1 10 35 19 o 42.603  5.8786 22.227   2.9747  37.106  10.742 48.099  4.7789 -10.99344      11.75725 
1 1 1 10 35 21 o 23.101  5.9875 5.9350   2.3936  24.159  9.5271 22.043  7.2550 2.116442       11.97504 
1 1 1 10 35 23 o 52.590  3.3980 28.516   2.3439  56.909  5.6099 48.270  3.8360 8.638783       6.796004 
1 1 1 10 35 25 o 30.827  6.3618 12.379   2.7347  31.871  10.522 29.783  7.1537 2.088280       12.72363 
1 1 1 10 35 27 o 27.204  6.3099 10.718   2.8894  24.491  10.163 29.916  7.4819 -5.425177      12.61987 
1 1 1 10 35 29 o 16.648  5.3901 -0.2146  2.8568  16.510  7.9706 16.787  7.2584 -0.2776432     10.78026 
1 1 1 10 36 0  o 111.648 2.7488 125.658  6.1296  111.648 2.7488 ?       ?      0.000000       0.000000 
1 1 1 10 36 2  o 108.931 2.0122 120.342  3.0938  108.181 2.9511 109.680 2.7361 -1.499237      4.024332 
1 1 1 10 36 4  o 56.045  3.4710 32.819   2.7456  53.994  5.0849 58.095  4.7260 -4.101395      6.942006 
1 1 1 10 36 6  o 67.314  3.1626 47.195   2.8247  66.306  5.2963 68.322  3.4579 -2.015465      6.325169 
1 1 1 10 36 8  o 36.664  5.7477 15.688   2.8880  35.518  8.8343 37.810  7.3551 -2.291481      11.49534 
1 1 1 10 36 10 o 44.834  4.2205 21.156   2.6072  47.992  6.5192 41.677  5.3621 6.314518       8.441079 
1 1 1 10 36 12 o 30.121  5.4883 10.506   2.2779  30.805  8.7240 29.437  6.6617 1.368361       10.97665 
1 1 1 10 36 14 o 39.350  4.6322 17.138   2.5120  42.711  6.2788 35.989  6.8120 6.721226       9.264304 
1 1 1 10 36 16 o 19.945  6.1049 1.5074   3.1049  20.223  9.1498 19.666  8.0845 0.5561371      12.20970 
1 1 1 10 36 18 o 39.884  5.5877 20.695   2.6494  31.346  10.348 48.422  4.2196 -17.07635      11.17542 
1 1 1 10 36 20 f 17.927  5.3489 -0.7967  2.7372  15.025  7.3521 20.830  7.7709 -5.805177      10.69773 
1 1 1 10 36 22 o 21.889  6.1796 5.2105   2.6859  23.619  9.7265 20.159  7.6252 3.460218       12.35913 
1 1 1 10 36 24 o 23.037  6.2678 6.7000   2.7016  25.380  9.8443 20.694  7.7609 4.685617       12.53566 
1 1 1 10 36 26 o 18.823  5.6187 3.2340   2.4758  21.862  8.8414 15.785  6.9360 6.076972       11.23738 
1 1 1 10 36 28 o 20.295  5.9617 5.3156   2.5642  22.483  9.4742 18.107  7.2392 4.376621       11.92335 
1 1 1 10 37 1  o 55.395  2.9325 31.665   2.2827  57.357  4.3415 53.432  3.9434 3.925053       5.865085 
1 1 1 10 37 3  f 68.979  3.0575 49.661   2.9687  65.662  4.5703 72.295  4.0627 -6.632072      6.115005 
1 1 1 10 37 5  o 49.728  3.8208 26.338   2.6680  49.943  5.7531 49.513  5.0293 0.4297104      7.641510 
1 1 1 10 37 7  o 17.901  5.5700 0.0327   2.7441  19.098  8.1953 16.704  7.5456 2.394165       11.14000 
1 1 1 10 37 9  o 27.037  6.3474 8.7177   2.8719  28.967  8.8683 25.107  9.0836 3.859491       12.69477 
1 1 1 10 37 11 o 36.570  5.7860 15.802   2.9024  41.042  8.2243 32.097  8.1406 8.945488       11.57190 
1 1 1 10 37 13 o 17.209  5.4161 -0.6820  2.7383  16.399  7.7037 18.019  7.6150 -1.619751      10.83214 
1 1 1 10 37 15 o 31.203  6.2645 12.176   2.8038  32.344  9.8090 30.063  7.7949 2.280634       12.52905 
1 1 1 10 37 17 o 20.795  5.7267 3.9618   2.5848  18.538  8.2318 23.053  7.9635 -4.515043      11.45340 
1 1 1 10 37 19 o 32.155  6.1850 12.948   2.6494  35.169  10.149 29.141  7.0728 6.027504       12.37002 
1 1 1 10 37 21 o 60.026  3.5015 39.347   2.7785  59.798  5.8727 60.254  3.8149 -0.4555321     7.003012 
1 1 1 10 37 23 o 36.299  5.8459 17.762   2.8691  35.611  9.3741 36.986  6.9876 -1.375183      11.69183 
1 1 1 10 37 25 f 19.451  5.6537 4.3418   2.5297  18.718  8.4289 20.183  7.5371 -1.465237      11.30730 
1 1 1 10 38 0  o 93.705  3.2108 89.263   6.0019  93.705  3.2108 ?       ?      0.000000       0.000000 
1 1 1 10 38 2  o 64.487  2.9057 43.381   2.6463  65.177  4.2125 63.797  4.0033 1.379593       5.811347 
1 1 1 10 38 4  o 54.528  3.6018 31.833   2.7742  53.901  4.9753 55.155  5.2095 -1.253857      7.203615 
1 1 1 10 38 6  o 19.093  5.6813 2.2248   2.6186  19.445  7.8527 18.742  8.2125 0.7030067      11.36261 
1 1 1 10 38 8  o 28.099  5.9692 9.6842   2.7103  33.642  8.3739 22.556  8.5089 11.08549       11.93830 
1 1 1 10 38 10 o 19.668  5.8589 2.5775   2.7331  20.654  8.7477 18.683  7.7966 1.971199       11.71789 
1 1 1 10 38 12 o 37.477  5.8067 17.192   2.9521  40.244  8.6571 34.711  7.7413 5.533485       11.61348 
1 1 1 10 38 14 o 38.042  4.9669 16.390   2.5386  45.722  6.9825 30.363  7.0659 15.35846       9.933891 
1 1 1 10 38 16 o 23.541  6.0878 6.3225   2.8235  20.994  9.5044 26.089  7.6099 -5.094959      12.17557 
1 1 1 10 38 18 o 27.556  5.9655 10.402   2.6033  25.064  9.1705 30.049  7.6322 -4.985542      11.93100 
1 1 1 10 38 20 o 43.387  5.7508 24.970   3.1974  39.509  10.005 47.265  5.6738 -7.755814      11.50155 
1 1 1 10 38 22 o 41.234  5.4123 22.032   2.8847  41.581  9.1535 40.887  5.7781 0.6939621      10.82466 
1 1 1 10 39 1  o 66.349  3.0104 46.636   2.8080  63.331  4.5369 69.368  3.9580 -6.036915      6.020753 
1 1 1 10 39 3  o 48.079  3.8504 25.182   2.6039  49.213  5.7087 46.944  5.1685 2.268841       7.700818 
1 1 1 10 39 5  o 18.561  5.6769 1.4802   2.7165  18.512  8.3775 18.611  7.6632 -0.9841919E-01 11.35372 
1 1 1 10 39 7  o 31.071  6.1991 12.786   2.8733  27.519  10.312 34.622  6.8836 -7.103464      12.39829 
1 1 1 10 39 9  o 20.944  6.2114 3.9719   2.9226  22.802  9.6697 19.087  7.7988 3.715271       12.42279 
1 1 1 10 39 11 o 61.409  3.8053 42.258   3.1299  57.281  6.3538 65.537  4.1894 -8.256001      7.610589 
1 1 1 10 39 13 o 38.069  6.1973 20.502   3.3156  29.407  10.986 46.731  5.7386 -17.32408      12.39454 
1 1 1 10 39 15 o 21.339  5.9796 5.7268   2.6437  22.208  8.8992 20.470  7.9892 1.737555       11.95919 
1 1 1 10 39 17 o 23.160  6.1347 7.1677   2.7917  21.408  9.6711 24.911  7.5502 -3.502890      12.26931 
1 1 1 10 39 19 o 19.738  5.9369 4.4738   2.7825  22.227  9.2373 17.249  7.4605 4.978073       11.87379 
1 1 1 10 40 0  o 90.729  3.6014 84.666   6.5127  90.729  3.6014 ?       ?      0.000000       0.000000 
1 1 1 10 40 2  o 66.085  3.3491 47.313   3.1287  64.974  4.8153 67.196  4.6561 -2.222237      6.698201 
1 1 1 10 40 4  o 36.028  5.9320 17.008   3.0316  31.341  9.7613 40.716  6.7432 -9.375202      11.86394 
1 1 1 10 40 6  o 17.100  5.4833 -0.2639  2.8605  18.246  8.1612 15.954  7.3253 2.291575       10.96655 
1 1 1 10 40 8  o 42.482  4.0951 20.616   2.4479  45.684  5.7304 39.281  5.8517 6.402981       8.190270 
1 1 1 10 40 10 o 18.202  5.4286 2.8963   2.3906  19.325  7.9699 17.080  7.3728 2.245256       10.85715 
1 1 1 10 40 12 o 33.002  6.1765 16.121   3.0880  27.072  10.069 38.932  7.1559 -11.86024      12.35299 
1 1 1 10 40 14 o 29.975  6.0502 13.844   2.9207  24.252  10.206 35.698  6.5007 -11.44620      12.10043 
1 1 1 10 40 16 o 34.722  6.4010 17.980   3.0648  35.365  10.244 34.079  7.6785 1.286079       12.80197 
1 1 1 10 41 1  o 44.010  4.6660 23.413   2.8964  42.781  6.4178 45.239  6.7748 -2.457977      9.331992 
1 1 1 10 41 3  o 23.403  6.2839 7.8323   2.8719  24.429  9.0537 22.378  8.7166 2.051197       12.56774 
1 1 1 10 41 5  o 21.009  6.2771 5.0020   3.3540  19.032  8.6844 22.986  9.0659 -3.954393      12.55429 
1 1 1 10 41 7  o 17.620  5.6405 1.1507   3.0299  19.039  8.4030 16.201  7.5268 2.838768       11.28109 
1 1 1 10 41 9  o 20.130  6.1983 4.7087   3.0110  22.656  9.8450 17.603  7.5333 5.053036       12.39655 
1 1 1 10 41 11 o 19.613  5.8805 4.2668   2.9226  18.578  8.6177 20.648  8.0034 -2.070652      11.76093 
1 1 1 11 1  0  o 431.096 4.1332 1859.32  35.629  431.096 4.1332 ?       ?      0.000000       0.000000 
1 1 1 11 1  2  o 215.106 1.8269 462.916  5.5550  211.425 2.6274 218.786 2.5390 -7.361435      3.653733 
1 1 1 11 1  4  o 326.265 2.3118 1064.19  10.644  328.600 3.3810 323.931 3.1538 4.669830       4.623584 
1 1 1 11 1  6  o 415.974 2.6933 1730.99  15.818  415.732 3.9318 416.216 3.6818 -0.4848022     5.386502 
1 1 1 11 1  8  f 437.451 2.8848 1913.63  17.837  440.441 4.1461 434.462 4.0121 5.978912       5.769539 
1 1 1 11 1  10 o 433.006 2.7996 1875.09  17.141  430.685 3.9287 435.328 3.9895 -4.642822      5.599174 
1 1 1 11 1  12 o 600.436 4.0483 3607.38  34.223  601.676 5.4016 599.196 6.0313 2.480164       8.096516 
1 1 1 11 1  14 o 608.511 3.7770 3713.96  32.096  617.693 4.8067 599.330 5.8275 18.36340       7.554094 
1 1 1 11 1  16 o 630.547 3.9573 3972.23  34.779  626.256 5.0366 634.838 6.1051 -8.581543      7.914500 
1 1 1 11 1  18 o 616.093 3.8032 3808.80  32.670  625.605 4.8071 606.581 5.8947 19.02441       7.606323 
1 1 1 11 1  20 o 342.471 2.4868 1170.35  11.672  339.535 2.9900 345.408 3.9744 -5.873718      4.973535 
1 1 1 11 1  22 o 545.131 3.4816 2972.43  26.162  543.904 4.2496 546.358 5.5161 -2.453796      6.963200 
1 1 1 11 1  24 o 324.562 2.3186 1054.89  10.435  325.831 2.8806 323.294 3.6340 2.536224       4.637239 
1 1 1 11 1  26 o 93.906  1.6040 89.267   2.0157  96.937  1.7784 90.875  2.6699 6.061714       3.208018 
1 1 1 11 1  28 o 174.505 2.0312 303.559  4.3926  173.388 1.9517 175.623 3.5629 -2.234848      4.062490 
1 1 1 11 1  30 o 86.660  1.7186 73.779   1.8437  84.023  1.6718 89.298  3.0031 -5.274498      3.437113 
1 1 1 11 1  32 f 90.710  1.7096 82.887   2.0585  92.201  1.8698 89.219  2.8627 2.982094       3.419195 
1 1 1 11 1  34 o 18.744  4.4420 3.2157   1.3931  16.375  5.9831 21.113  6.5672 -4.738708      8.883958 
1 1 1 11 1  36 o 83.343  1.8116 68.589   1.8978  81.305  1.8062 85.381  3.1409 -4.075974      3.623198 
1 1 1 11 1  38 o 60.328  2.0633 36.844   1.6861  62.150  2.3629 58.506  3.3832 3.643856       4.126648 
1 1 1 11 1  40 o 54.756  2.5211 29.476   1.8590  51.438  2.9791 58.073  4.0681 -6.634369      5.042284 
1 1 1 11 1  42 f 72.095  1.8834 52.179   1.9070  72.245  2.4747 71.944  2.8400 0.3005219      3.766889 
1 1 1 11 1  44 f 45.606  3.2378 22.575   1.7618  50.880  2.7608 40.332  5.8576 10.54805       6.475614 
1 1 1 11 1  46 o 31.246  4.4664 10.900   1.8181  35.320  4.3386 27.172  7.8085 8.148344       8.932891 
1 1 1 11 1  48 o 46.344  3.0854 21.288   1.8284  42.407  3.3124 50.281  5.2065 -7.873840      6.170882 
1 1 1 11 1  50 o 54.992  3.4017 31.317   2.1822  53.622  2.9769 56.362  6.1175 -2.739964      6.803307 
1 1 1 11 1  52 o 18.754  5.2521 3.3792   1.9646  17.286  6.6080 20.222  8.1654 -2.935518      10.50427 
1 1 1 11 1  54 o 18.557  5.1343 3.9729   1.9500  18.801  6.8264 18.314  7.6711 0.4871998      10.26868 
1 1 1 11 2  1  o 496.676 3.3045 2468.25  23.207  496.211 4.7224 497.142 4.6237 -0.9308167     6.609044 
1 1 1 11 2  3  o 499.660 3.1489 2497.26  22.244  495.595 4.4062 503.726 4.4999 -8.130737      6.297871 
1 1 1 11 2  5  o 167.039 1.4461 279.028  3.4157  165.033 2.0505 169.046 2.0396 -4.013275      2.892206 
1 1 1 11 2  7  o 566.334 3.6845 3209.05  29.479  565.915 5.3480 566.752 5.0697 -0.8376465     7.369061 
1 1 1 11 2  9  o 749.236 4.5378 5616.41  48.073  749.973 6.4874 748.500 6.3467 1.473328       9.075624 
1 1 1 11 2  11 o 843.596 5.0045 7130.91  58.908  850.190 6.3611 837.002 7.7276 13.18713       10.00899 
1 1 1 11 2  13 o 501.964 3.2981 2514.82  22.606  498.422 3.9200 505.507 5.3050 -7.084930      6.596191 
1 1 1 11 2  15 o 223.532 1.7492 498.323  5.3842  221.235 2.1357 225.829 2.7708 -4.594131      3.498392 
1 1 1 11 2  17 o 553.735 3.4585 3069.02  26.502  554.915 4.2689 552.556 5.4426 2.359436       6.917032 
1 1 1 11 2  19 o 476.566 3.0979 2276.71  20.388  480.423 3.7878 472.709 4.9032 7.713928       6.195832 
1 1 1 11 2  21 o 284.754 2.1446 813.989  8.3603  288.275 2.5472 281.233 3.4510 7.042023       4.289194 
1 1 1 11 2  23 o 72.437  1.4601 52.663   1.4241  73.144  1.6586 71.729  2.4034 1.414772       2.920172 
1 1 1 11 2  25 o 91.289  1.4379 83.503   1.8495  93.108  1.9202 89.469  2.1410 3.638527       2.875888 
1 1 1 11 2  27 o 141.490 1.8880 196.798  3.3313  137.225 1.8612 145.754 3.2855 -8.528915      3.776063 
1 1 1 11 2  29 o 182.313 2.5928 337.325  4.9360  185.205 1.8617 179.421 4.8398 5.784424       5.185543 
1 1 1 11 2  31 o 106.062 1.7080 112.848  2.3576  106.649 1.7961 105.474 2.9058 1.174492       3.416041 
1 1 1 11 2  33 o 113.489 1.6635 128.367  2.4917  112.411 1.8176 114.566 2.7866 -2.155312      3.327006 
1 1 1 11 2  35 o 143.898 1.6979 206.912  3.1305  143.386 1.7367 144.409 2.9182 -1.023834      3.395864 
1 1 1 11 2  37 o 129.984 1.6650 168.346  2.7545  128.800 1.6855 131.167 2.8720 -2.366486      3.330096 
1 1 1 11 2  39 o 83.891  1.7500 71.287   2.0253  87.752  2.1101 80.030  2.7924 7.721970       3.500024 
1 1 1 11 2  41 o 64.099  2.3014 40.848   1.9155  62.730  2.4429 65.468  3.9012 -2.738029      4.602882 
1 1 1 11 2  43 o 52.760  2.4256 28.245   1.7673  54.139  2.9484 51.381  3.8523 2.758339       4.851151 
1 1 1 11 2  45 o 31.759  5.0896 10.822   1.9265  32.826  4.2793 30.692  9.2360 2.133692       10.17925 
1 1 1 11 2  47 o 28.264  4.5695 8.8478   1.7513  28.244  5.6252 28.285  7.2027 -0.4104805E-01 9.138973 
1 1 1 11 2  49 o 28.531  4.7910 9.0157   1.8389  25.444  6.0939 31.618  7.3945 -6.173723      9.582009 
1 1 1 11 2  51 o 16.863  5.0231 1.5883   2.0113  16.122  6.7081 17.603  7.4786 -1.480217      10.04626 
1 1 1 11 2  53 o 35.746  4.6045 15.232   2.0691  36.416  4.5587 35.077  8.0014 1.339226       9.208922 
1 1 1 11 3  0  o 1127.06 13.170 12735.61 296.777 1127.06 13.170 ?       ?      0.000000       0.000000 
1 1 1 11 3  2  o 293.182 2.0948 859.728  8.6794  293.322 3.0258 293.042 2.8979 0.2802734      4.189649 
1 1 1 11 3  4  o 386.835 2.6030 1496.81  14.234  387.575 3.7397 386.094 3.6217 1.480988       5.205958 
1 1 1 11 3  6  o 127.894 1.2530 163.360  2.2626  130.564 1.8094 125.223 1.7336 5.341286       2.505904 
1 1 1 11 3  8  o 307.942 2.3333 947.691  9.9267  306.994 2.8702 308.890 3.6794 -1.896057      4.666505 
1 1 1 11 3  10 o 422.199 2.9205 1781.06  16.903  420.721 3.5058 423.677 4.6719 -2.955322      5.840951 
1 1 1 11 3  12 o 148.974 1.3952 221.900  2.9316  148.632 1.8902 149.317 2.0526 -0.6851959     2.790311 
1 1 1 11 3  14 o 206.270 1.6012 425.700  4.5497  206.643 1.9466 205.897 2.5429 0.7461700      3.202452 
1 1 1 11 3  16 o 175.987 2.7947 311.702  6.5721  178.842 3.1061 173.131 4.6469 5.710648       5.589368 
1 1 1 11 3  18 o 192.770 2.7172 374.454  7.0331  196.688 3.0515 188.852 4.4967 7.835907       5.434340 
1 1 1 11 3  20 o 95.273  1.8077 90.634   2.3994  94.471  2.2980 96.076  2.7913 -1.604370      3.615489 
1 1 1 11 3  22 o 230.852 1.7858 532.235  5.7536  228.990 2.2864 232.713 2.7437 -3.723083      3.571546 
1 1 1 11 3  24 o 387.036 2.6468 1497.12  14.184  384.991 3.2838 389.082 4.1519 -4.090942      5.293531 
1 1 1 11 3  26 o 372.557 2.5795 1387.22  13.292  370.346 3.1895 374.769 4.0549 -4.422485      5.158990 
1 1 1 11 3  28 o 197.758 2.0355 392.271  5.4962  199.265 2.4032 196.251 3.2861 3.014252       4.071074 
1 1 1 11 3  30 o 90.277  1.6944 82.367   2.0374  92.620  1.8613 87.934  2.8319 4.686150       3.388801 
1 1 1 11 3  32 o 174.499 1.7592 305.367  4.0711  175.387 1.9295 173.611 2.9422 1.775894       3.518472 
1 1 1 11 3  34 o 23.439  4.2912 5.7352   1.4359  22.435  6.1012 24.444  6.0359 -2.009567      8.582372 
1 1 1 11 3  36 o 42.226  3.0350 18.353   1.6388  44.450  3.0166 40.002  5.2675 4.447906       6.070080 
1 1 1 11 3  38 o 80.285  2.1120 65.606   2.0684  82.296  1.9397 78.275  3.7523 4.020752       4.223997 
1 1 1 11 3  40 o 37.953  3.2538 14.359   1.6388  36.855  3.6382 39.052  5.3955 -2.197693      6.507553 
1 1 1 11 3  42 o 33.373  4.2309 12.017   1.7724  36.631  4.0090 30.114  7.4519 6.516916       8.461823 
1 1 1 11 3  44 o 21.095  4.7112 4.4849   1.5860  18.457  6.4479 23.733  6.8708 -5.275448      9.422462 
1 1 1 11 3  46 o 29.806  5.2201 9.1741   1.9137  26.980  5.3972 32.633  8.9369 -5.652353      10.44018 
1 1 1 11 3  48 o 42.618  3.5953 18.490   2.0507  38.895  4.2682 46.341  5.7869 -7.446236      7.190686 
1 1 1 11 3  50 o 36.954  3.7232 14.718   1.8623  37.174  4.2940 36.734  6.0837 0.4409256      7.446474 
1 1 1 11 3  52 o 20.933  5.0619 5.0712   1.8787  23.541  7.0481 18.325  7.2673 5.215769       10.12370 
1 1 1 11 3  54 o 17.670  5.5199 2.3097   2.2545  13.816  6.1064 21.524  9.1971 -7.708157      11.03973 
1 1 1 11 4  1  o 333.463 2.4372 1111.27  11.376  331.624 3.1576 335.303 3.7133 -3.678741      4.874357 
1 1 1 11 4  3  o 654.025 5.3957 4247.21  47.937  637.540 6.3796 670.510 8.7037 -32.96954      10.79142 
1 1 1 11 4  5  o 537.855 3.4765 2890.57  25.678  535.474 4.1973 540.236 5.5431 -4.761963      6.952930 
1 1 1 11 4  7  o 278.053 2.0842 773.432  8.0356  278.378 2.5918 277.727 3.2646 0.6506958      4.168383 
1 1 1 11 4  9  o 485.365 3.2896 2354.98  21.951  484.323 3.9814 486.407 5.2377 -2.084381      6.579106 
1 1 1 11 4  11 o 504.412 3.2742 2543.46  22.697  503.366 3.9576 505.459 5.2171 -2.092896      6.548346 
1 1 1 11 4  13 o 312.739 2.2413 977.057  9.6501  311.417 2.7269 314.061 3.5578 -2.644348      4.482681 
1 1 1 11 4  15 f 189.137 1.6376 357.506  4.1621  188.785 1.8602 189.489 2.6957 -0.7039795     3.275229 
1 1 1 11 4  17 o 165.453 1.5981 273.137  3.6142  164.182 1.9056 166.725 2.5659 -2.542191      3.196119 
1 1 1 11 4  19 o 309.303 2.1752 956.950  9.5120  309.023 3.1200 309.583 3.0318 -0.5594788     4.350421 
1 1 1 11 4  21 o 293.429 2.1172 861.440  8.7700  292.588 3.0988 294.270 2.8858 -1.681427      4.234457 
1 1 1 11 4  23 o 252.036 1.8192 633.909  6.4454  256.654 2.7117 247.419 2.4258 9.235504       3.638401 
1 1 1 11 4  25 o 78.884  1.5739 62.228   1.7553  79.814  2.2400 77.954  2.2115 1.860817       3.147740 
1 1 1 11 4  27 o 178.117 1.6097 317.327  4.0522  177.241 2.2335 178.994 2.3187 -1.752930      3.219453 
1 1 1 11 4  29 o 248.712 2.3589 618.913  7.5262  248.485 2.4154 248.939 4.0525 -0.4546051     4.717768 
1 1 1 11 4  31 o 240.456 2.3434 581.057  7.3888  242.487 2.5015 238.424 3.9635 4.062515       4.686845 
1 1 1 11 4  33 o 114.404 1.4591 131.651  2.2951  116.646 1.7516 112.162 2.3340 4.483505       2.918179 
1 1 1 11 4  35 o 70.641  2.0490 50.118   1.9500  71.160  2.3329 70.122  3.3691 1.037621       4.097941 
1 1 1 11 4  37 o 59.512  2.1251 35.450   1.6857  59.324  2.3679 59.699  3.5295 -0.3748093     4.250167 
1 1 1 11 4  39 o 78.123  1.9236 59.401   1.8585  74.309  1.8904 81.937  3.3508 -7.627548      3.847279 
1 1 1 11 4  41 o 40.380  3.8819 17.410   1.9256  44.070  3.6221 36.691  6.8670 7.378292       7.763762 
1 1 1 11 4  43 o 98.182  1.9241 97.040   2.3242  98.525  1.8146 97.839  3.3935 0.6853867      3.848226 
1 1 1 11 4  45 o 18.737  4.7864 2.7058   1.6432  14.313  5.9500 23.161  7.4991 -8.848102      9.572783 
1 1 1 11 4  47 o 32.544  4.9692 11.218   1.9721  30.683  4.7862 34.404  8.7100 -3.720764      9.938416 
1 1 1 11 4  49 o 20.451  4.8702 4.4231   1.7089  22.088  6.3242 18.814  7.4080 3.273937       9.740360 
1 1 1 11 4  51 o 27.932  5.0581 9.3404   1.9702  27.210  6.4298 28.654  7.8101 -1.443274      10.11630 
1 1 1 11 4  53 o 22.367  5.4608 6.5795   2.1156  23.395  7.3554 21.339  8.0733 2.056343       10.92158 
1 1 1 11 5  0  o 794.585 9.8793 6323.24  156.944 794.585 9.8793 ?       ?      0.000000       0.000000 
1 1 1 11 5  2  o 310.658 3.1580 958.685  13.343  303.979 3.7389 317.336 5.0905 -13.35715      6.316078 
1 1 1 11 5  4  o 437.932 3.0024 1918.45  18.456  437.942 3.9365 437.922 4.5345 0.1943970E-01  6.004797 
1 1 1 11 5  6  o 412.945 2.9198 1700.02  16.452  408.584 3.4692 417.305 4.6973 -8.720825      5.839551 
1 1 1 11 5  8  o 435.755 2.8464 1904.83  17.222  441.771 3.5411 429.740 4.4574 12.03186       5.692744 
1 1 1 11 5  10 o 733.109 4.5942 5380.45  46.446  734.938 5.6037 731.279 7.2819 3.659546       9.188458 
1 1 1 11 5  12 o 392.006 2.7500 1538.22  15.228  401.079 3.7730 382.933 4.0018 18.14584       5.499952 
1 1 1 11 5  14 o 687.717 4.1394 4731.46  40.252  688.767 5.9144 686.667 5.7930 2.100281       8.278867 
1 1 1 11 5  16 o 713.929 4.5688 5104.11  45.723  710.698 6.9448 717.159 5.9385 -6.461792      9.137577 
1 1 1 11 5  18 o 444.538 2.8590 1976.63  17.969  442.372 3.9981 446.705 4.0880 -4.332367      5.718096 
1 1 1 11 5  20 o 192.274 1.6086 369.772  4.3735  191.759 2.2975 192.789 2.2521 -1.029907      3.217236 
1 1 1 11 5  22 o 332.159 2.3525 1104.09  11.043  330.042 3.4049 334.276 3.2472 -4.234283      4.705075 
1 1 1 11 5  24 o 200.724 1.6198 402.921  4.5937  201.645 2.3432 199.803 2.2370 1.841812       3.239538 
1 1 1 11 5  26 o 196.444 1.8041 385.960  5.0104  199.205 2.5642 193.683 2.5384 5.521851       3.608148 
1 1 1 11 5  28 o 51.361  2.1036 25.881   1.4898  55.332  3.2311 47.391  2.6946 7.940819       4.207258 
1 1 1 11 5  30 o 125.253 1.5860 156.773  2.8036  123.191 2.1769 127.314 2.3070 -4.123108      3.171906 
1 1 1 11 5  32 o 142.062 1.6309 202.564  3.2363  144.497 2.0768 139.627 2.5151 4.870300       3.261757 
1 1 1 11 5  34 o 83.272  1.6703 69.942   1.9427  87.494  2.1163 79.050  2.5847 8.443550       3.340603 
1 1 1 11 5  36 o 57.604  2.1753 33.474   1.7553  61.430  2.8064 53.777  3.3245 7.652431       4.350631 
1 1 1 11 5  38 o 19.516  4.4396 3.5927   1.4303  16.332  6.1044 22.699  6.4479 -6.366577      8.879134 
1 1 1 11 5  40 o 85.763  1.6333 73.636   1.9711  84.771  2.1843 86.754  2.4288 -1.982368      3.266528 
1 1 1 11 5  42 o 77.516  2.2433 60.517   2.3658  77.797  2.6263 77.234  3.6375 0.5624390      4.486565 
1 1 1 11 5  44 o 20.958  4.6600 4.2838   1.6253  23.714  5.4892 18.202  7.5319 5.512449       9.319904 
1 1 1 11 5  46 o 49.961  3.1120 25.691   1.9503  50.605  3.0282 49.317  5.4377 1.287949       6.224004 
1 1 1 11 5  48 o 32.945  5.0183 12.655   1.9721  36.127  4.0650 29.762  9.1766 6.364948       10.03663 
1 1 1 11 5  50 o 64.073  2.5665 44.053   2.0507  69.002  2.4059 59.144  4.5342 9.857014       5.132953 
1 1 1 11 5  52 f 17.176  5.2843 1.4530   2.1899  15.010  6.4298 19.342  8.3876 -4.331820      10.56857 
1 1 1 11 5  54 o 14.014  4.7807 -2.0132  2.1424  11.712  5.3955 16.315  7.8936 -4.603111      9.561386 
1 1 1 11 6  1  o 968.461 8.5400 9397.89  116.910 956.432 11.943 980.491 12.210 -24.05969      17.08005 
1 1 1 11 6  3  o 621.975 4.6504 3851.77  38.658  614.093 5.2403 629.857 7.6841 -15.76373      9.300869 
1 1 1 11 6  5  o 222.850 2.2164 489.005  5.5345  218.419 1.8124 227.281 4.0454 -8.861969      4.432866 
1 1 1 11 6  7  o 569.296 3.5364 3237.41  28.420  557.930 4.8752 580.661 5.1242 -22.73047      7.072853 
1 1 1 11 6  9  o 547.225 3.3951 2995.36  26.274  546.245 4.8159 548.206 4.7870 -1.960571      6.790268 
1 1 1 11 6  11 o 147.063 2.8420 213.487  4.8759  144.358 2.4769 149.768 5.1160 -5.409286      5.684027 
1 1 1 11 6  13 o 448.192 2.8407 2008.97  18.004  445.315 4.0004 451.069 4.0343 -5.753571      5.681413 
1 1 1 11 6  15 o 579.853 3.5504 3362.99  29.109  585.685 5.0476 574.020 4.9944 11.66479       7.100828 
1 1 1 11 6  17 o 585.462 3.5639 3430.23  29.499  578.056 5.1142 592.867 4.9649 -14.81171      7.127735 
1 1 1 11 6  19 o 206.753 1.6378 427.543  4.7888  206.815 2.3155 206.691 2.3169 0.1235352      3.275578 
1 1 1 11 6  21 o 397.708 2.6054 1582.53  14.654  397.925 3.6905 397.492 3.6785 0.4325562      5.210713 
1 1 1 11 6  23 o 299.774 2.1009 898.808  8.9043  296.666 2.9486 302.881 2.9935 -6.214661      4.201826 
1 1 1 11 6  25 o 179.343 1.5358 321.725  3.8938  179.644 2.2036 179.041 2.1397 0.6033478      3.071577 
1 1 1 11 6  27 o 72.517  1.4642 52.635   1.4998  71.812  2.1339 73.222  2.0056 -1.409973      2.928498 
1 1 1 11 6  29 o 85.430  1.8695 72.738   2.1691  84.393  2.1941 86.466  3.0276 -2.072502      3.739058 
1 1 1 11 6  31 o 216.908 2.1771 472.190  6.2098  218.141 2.3416 215.676 3.6710 2.465332       4.354243 
1 1 1 11 6  33 o 120.860 1.6157 146.533  2.6291  121.619 1.8375 120.100 2.6582 1.519119       3.231492 
1 1 1 11 6  35 o 86.531  1.6485 74.950   1.9986  86.465  2.1415 86.597  2.5069 -0.1323090     3.297069 
1 1 1 11 6  37 o 105.049 1.5673 110.871  2.2543  106.255 1.8629 103.843 2.5210 2.411537       3.134580 
1 1 1 11 6  39 o 25.062  4.4444 6.6404   1.5963  28.095  5.8723 22.028  6.6729 6.066618       8.888845 
1 1 1 11 6  41 o 70.496  1.8968 49.883   1.8701  70.652  2.4401 70.340  2.9048 0.3123169      3.793632 
1 1 1 11 6  43 o 22.186  5.0784 4.5573   2.0113  26.266  6.7665 18.107  7.5745 8.159512       10.15671 
1 1 1 11 6  45 o 44.873  2.6821 20.557   1.6866  43.621  4.0986 46.126  3.4606 -2.505482      5.364160 
1 1 1 11 6  47 o 43.254  4.6098 21.679   2.3086  49.211  3.7627 37.297  8.4168 11.91428       9.219607 
1 1 1 11 6  49 o 16.145  4.9564 -0.4165  1.8775  15.741  5.8217 16.550  8.0231 -0.8091965     9.912722 
1 1 1 11 6  51 o 18.390  5.3835 2.6087   1.9265  14.702  6.0115 22.079  8.9326 -7.376942      10.76709 
1 1 1 11 6  53 o 19.201  5.3495 3.6770   2.0507  14.484  6.2592 23.918  8.6771 -9.434016      10.69902 
1 1 1 11 7  0  o 334.547 3.0161 1119.55  20.177  334.547 3.0161 ?       ?      0.000000       0.000000 
1 1 1 11 7  2  o 461.888 3.5820 2142.27  22.433  467.261 4.1404 456.515 5.8464 10.74664       7.164018 
1 1 1 11 7  4  o 916.430 9.5415 8295.95  104.923 896.919 8.7348 935.941 16.966 -39.02142      19.08294 
1 1 1 11 7  6  o 932.642 8.0395 8701.04  105.926 907.024 11.284 958.260 11.454 -51.23572      16.07892 
1 1 1 11 7  8  o 981.706 7.1196 9562.49  92.729  960.796 7.9215 1002.62 11.832 -41.82166      14.23929 
1 1 1 11 7  10 o 690.379 4.3148 4755.90  40.900  684.081 5.2176 696.677 6.8738 -12.59534      8.629688 
1 1 1 11 7  12 f 545.438 3.6936 2983.31  28.211  554.038 4.7596 536.839 5.6495 17.19855       7.387258 
1 1 1 11 7  14 o 470.592 3.0037 2215.47  19.985  463.679 4.2964 477.504 4.1987 -13.82504      6.007325 
1 1 1 11 7  16 o 481.707 3.0931 2321.35  21.071  483.457 4.3583 479.957 4.3901 3.499329       6.186126 
1 1 1 11 7  18 o 552.185 3.3950 3049.51  26.442  555.804 4.9858 548.566 4.6093 7.237915       6.789925 
1 1 1 11 7  20 o 407.426 2.7612 1661.62  15.892  403.660 4.0177 411.192 3.7889 -7.531311      5.522476 
1 1 1 11 7  22 o 307.157 2.1832 944.024  9.4817  304.309 3.1263 310.005 3.0483 -5.696777      4.366473 
1 1 1 11 7  24 o 42.670  2.5905 18.734   1.4672  39.447  4.3703 45.892  2.7827 -6.444275      5.180974 
1 1 1 11 7  26 o 139.289 1.4100 194.053  2.7771  137.639 1.9948 140.939 1.9934 -3.299469      2.820025 
1 1 1 11 7  28 o 33.186  3.7720 11.203   1.5398  33.062  6.6067 33.309  3.6421 -0.2466927     7.544096 
1 1 1 11 7  30 o 418.585 3.0598 1756.71  17.997  417.343 4.6051 419.826 4.0303 -2.483337      6.119664 
1 1 1 11 7  32 o 194.682 1.8490 380.898  4.9925  198.179 2.2875 191.185 2.9056 6.993652       3.697974 
1 1 1 11 7  34 o 108.463 2.8662 117.987  4.2282  108.318 3.3600 108.609 4.6444 -0.2910080     5.732340 
1 1 1 11 7  36 o 17.436  4.6421 2.2439   1.5324  16.791  6.1312 18.081  6.9718 -1.290720      9.284286 
1 1 1 11 7  38 o 77.631  1.6649 60.199   1.7923  76.582  2.0844 78.681  2.5968 -2.099442      3.329896 
1 1 1 11 7  40 o 39.004  3.1871 15.231   1.7414  42.982  4.4566 35.027  4.5573 7.954716       6.374149 
1 1 1 11 7  42 o 41.866  3.3258 17.929   1.8389  42.681  3.5904 41.052  5.5993 1.629452       6.651541 
1 1 1 11 7  44 o 16.992  5.0073 0.8513   1.8729  16.342  6.2129 17.642  7.8545 -1.299677      10.01463 
1 1 1 11 7  46 o 28.518  4.7941 8.7177   1.8112  25.555  5.8672 31.480  7.5835 -5.924067      9.588228 
1 1 1 11 7  48 o 36.636  4.6984 15.979   2.0987  42.811  4.0269 30.461  8.4903 12.34991       9.396882 
1 1 1 11 7  50 f 29.922  5.0863 10.391   1.9437  30.709  4.7821 29.135  8.9784 1.574833       10.17257 
1 1 1 11 7  52 o 21.997  5.2998 5.8428   2.1377  24.953  6.5643 19.040  8.3225 5.913221       10.59969 
1 1 1 11 8  1  o 217.764 2.0219 474.038  6.2174  219.317 2.9404 216.211 2.7760 3.106522       4.043785 
1 1 1 11 8  3  o 233.927 1.8845 547.356  6.1138  234.106 2.3456 233.747 2.9501 0.3591156      3.768952 
1 1 1 11 8  5  o 597.055 3.7362 3563.34  30.913  595.249 4.6447 598.862 5.8534 -3.612976      7.472307 
1 1 1 11 8  7  o 499.493 3.4821 2496.75  24.581  506.908 4.8117 492.078 5.0346 14.83051       6.964140 
1 1 1 11 8  9  o 468.549 3.0842 2194.50  20.015  467.328 3.8256 469.770 4.8387 -2.442291      6.168324 
1 1 1 11 8  11 o 296.499 2.2554 879.668  9.4499  303.142 3.1173 289.855 3.2602 13.28702       4.510712 
1 1 1 11 8  13 o 257.061 2.1783 660.095  7.7036  255.911 2.6447 258.211 3.4619 -2.299576      4.356545 
1 1 1 11 8  15 o 396.355 2.6852 1575.93  14.809  401.988 3.3673 390.723 4.1835 11.26550       5.370315 
1 1 1 11 8  17 o 759.243 4.7161 5773.25  49.308  760.046 5.7294 758.439 7.4926 1.606934       9.432132 
1 1 1 11 8  19 o 354.130 2.5191 1248.96  12.202  348.835 3.0201 359.425 4.0326 -10.58939      5.038143 
1 1 1 11 8  21 o 779.820 4.7489 6104.31  51.367  786.134 5.8966 773.505 7.4457 12.62885       9.497850 
1 1 1 11 8  23 o 291.900 2.2394 853.768  9.2210  297.941 3.0217 285.859 3.3058 12.08267       4.478716 
1 1 1 11 8  25 o 141.718 1.7211 200.976  3.4467  140.973 2.4911 142.462 2.3754 -1.489243      3.442116 
1 1 1 11 8  27 o 70.655  2.1930 50.307   2.1634  73.641  2.7746 67.668  3.3969 5.972511       4.386008 
1 1 1 11 8  29 o 212.218 1.8899 451.491  5.6289  214.906 2.4660 209.530 2.8645 5.375748       3.779733 
1 1 1 11 8  31 o 141.939 1.7315 201.289  3.2844  141.332 1.9426 142.547 2.8667 -1.214661      3.462948 
1 1 1 11 8  33 o 160.271 1.7971 255.609  3.7759  158.106 1.9385 162.435 3.0267 -4.328934      3.594264 
1 1 1 11 8  35 o 149.483 1.6835 222.941  3.2968  148.369 1.8075 150.597 2.8407 -2.228378      3.366958 
1 1 1 11 8  37 o 59.837  2.3943 35.876   1.8784  59.621  2.5702 60.052  4.0403 -0.4309654     4.788574 
1 1 1 11 8  39 o 88.359  1.8909 78.874   2.1044  89.552  1.8538 87.167  3.2963 2.385300       3.781821 
1 1 1 11 8  41 o 79.544  1.8668 63.769   1.9454  80.293  1.9881 78.795  3.1603 1.497650       3.733623 
1 1 1 11 8  43 o 30.820  3.9333 10.136   1.5975  33.260  4.2234 28.379  6.6366 4.881712       7.866503 
1 1 1 11 8  45 o 49.754  3.0690 25.362   2.0123  50.060  3.3162 49.448  5.1651 0.6122932      6.138031 
1 1 1 11 8  47 o 46.755  3.4953 23.647   2.1654  51.410  3.7260 42.101  5.9148 9.308918       6.990558 
1 1 1 11 8  49 o 32.261  5.2834 11.917   2.1692  31.706  5.2360 32.816  9.1784 -1.110123      10.56687 
1 1 1 11 8  51 o 21.200  5.2378 5.1448   1.9832  22.842  6.6109 19.558  8.1262 3.283752       10.47563 
1 1 1 11 8  53 f 18.543  5.1291 3.9901   1.9050  16.940  6.6751 20.147  7.7892 -3.207457      10.25815 
1 1 1 11 9  0  o 539.966 4.7663 2916.69  51.463  539.966 4.7663 ?       ?      0.000000       0.000000 
1 1 1 11 9  2  o 712.520 4.7478 5074.76  47.511  707.761 6.2609 717.279 7.1392 -9.517883      9.495645 
1 1 1 11 9  4  o 462.913 3.0672 2142.50  20.070  467.821 4.3948 458.005 4.2799 9.815979       6.134470 
1 1 1 11 9  6  o 354.816 2.4906 1261.52  12.213  357.584 3.0534 352.047 3.9357 5.536255       4.981263 
1 1 1 11 9  8  o 795.821 4.9966 6331.25  54.747  793.175 6.0777 798.467 7.9327 -5.291382      9.993292 
1 1 1 11 9  10 o 501.167 3.5209 2519.03  24.643  508.569 4.4821 493.764 5.4312 14.80447       7.041798 
1 1 1 11 9  12 o 397.208 2.6373 1579.59  14.551  398.954 3.2969 395.463 4.1172 3.490784       5.274539 
1 1 1 11 9  14 o 525.617 3.4010 2765.73  24.749  527.035 4.2039 524.198 5.3473 2.837830       6.801939 
1 1 1 11 9  16 o 501.103 3.3284 2519.42  22.868  505.942 3.9753 496.264 5.3395 9.678314       6.656830 
1 1 1 11 9  18 o 214.066 1.8109 460.342  5.3664  218.113 2.2248 210.020 2.8578 8.093170       3.621719 
1 1 1 11 9  20 o 119.971 1.3256 143.390  2.1892  118.244 1.6200 121.698 2.0986 -3.454247      2.651153 
1 1 1 11 9  22 o 148.565 1.4193 221.592  2.8691  150.332 1.6564 146.798 2.3053 3.533936       2.838670 
1 1 1 11 9  24 o 159.018 1.7047 253.071  3.6362  159.191 1.9253 158.845 2.8138 0.3459625      3.409389 
1 1 1 11 9  26 o 97.967  1.3189 95.670   1.7923  96.472  1.6546 99.462  2.0543 -2.989914      2.637766 
1 1 1 11 9  28 o 51.084  2.2122 25.790   1.5554  53.451  3.4642 48.718  2.7523 4.733318       4.424496 
1 1 1 11 9  30 o 101.250 1.7419 102.455  2.4754  100.278 2.2922 102.221 2.6235 -1.942329      3.483802 
1 1 1 11 9  32 o 218.061 1.9449 476.322  5.8221  218.309 2.3398 217.812 3.1073 0.4969177      3.889765 
1 1 1 11 9  34 o 127.402 1.7925 161.177  2.8733  125.543 1.7801 129.262 3.1119 -3.719925      3.585095 
1 1 1 11 9  36 o 28.516  4.2462 9.6304   1.7438  38.411  3.6570 18.620  7.6646 19.79099       8.492304 
1 1 1 11 9  38 o 28.244  4.3411 8.2644   1.6625  25.336  5.9008 31.152  6.3689 -5.816034      8.682261 
1 1 1 11 9  40 o 65.485  1.9405 43.008   1.7673  65.314  2.4440 65.655  3.0148 -0.3406296     3.880983 
1 1 1 11 9  42 o 40.106  3.1939 16.154   1.7057  39.120  3.5908 41.092  5.2831 -1.972069      6.387882 
1 1 1 11 9  44 o 20.725  5.4519 3.5204   2.0013  16.914  6.5741 24.535  8.6991 -7.620541      10.90377 
1 1 1 11 9  46 o 19.184  4.8042 2.8387   1.8841  22.927  6.6030 15.442  6.9801 7.484957       9.608419 
1 1 1 11 9  48 o 45.017  3.1783 21.104   1.8784  44.712  3.4273 45.322  5.3535 -0.6096764     6.356585 
1 1 1 11 9  50 o 22.834  5.4193 6.2283   2.0374  23.113  6.9213 22.555  8.3409 0.5582695      10.83864 
1 1 1 11 9  52 o 13.872  4.5600 -1.6823  2.0987  13.488  6.0736 14.257  6.8035 -0.7695503     9.120087 
1 1 1 11 10 1  o 309.065 2.2205 955.330  9.7053  310.098 3.1297 308.032 3.1507 2.065887       4.440991 
1 1 1 11 10 3  f 590.152 3.7408 3481.97  31.197  582.822 5.2038 597.482 5.3754 -14.66022      7.481585 
1 1 1 11 10 5  o 428.717 3.1016 1840.56  18.754  435.310 4.1803 422.124 4.5832 13.18652       6.203273 
1 1 1 11 10 7  o 589.699 3.7600 3481.81  30.724  592.039 4.6590 587.359 5.9028 4.679688       7.519978 
1 1 1 11 10 9  o 682.075 4.3730 4667.12  41.524  691.249 5.4960 672.901 6.8035 18.34784       8.746053 
1 1 1 11 10 11 o 442.194 3.0599 1945.76  18.426  434.998 3.6255 449.391 4.9303 -14.39297      6.119803 
1 1 1 11 10 13 o 518.735 3.3658 2688.23  24.103  515.836 4.1343 521.634 5.3124 -5.797546      6.731524 
1 1 1 11 10 15 o 389.593 2.6278 1518.52  14.144  389.702 3.2277 389.484 4.1476 0.2178345      5.255532 
1 1 1 11 10 17 o 155.267 1.4657 241.846  3.1606  157.470 1.8247 153.065 2.2943 4.404633       2.931411 
1 1 1 11 10 19 o 258.576 2.3602 670.981  7.9738  260.343 2.5016 256.809 4.0029 3.533539       4.720333 
1 1 1 11 10 21 o 197.340 1.6214 389.922  4.4632  198.365 2.0601 196.316 2.5044 2.048538       3.242797 
1 1 1 11 10 23 o 140.828 1.5501 199.475  2.9573  143.148 1.7842 138.509 2.5354 4.639328       3.100267 
1 1 1 11 10 25 o 221.430 1.8458 491.036  5.6891  222.366 2.3258 220.493 2.8668 1.872986       3.691660 
1 1 1 11 10 27 o 307.834 2.2872 948.011  9.7633  307.010 2.8493 308.657 3.5788 -1.646942      4.574476 
1 1 1 11 10 29 o 359.497 2.7700 1295.11  14.075  360.884 3.8393 358.109 3.9939 2.775543       5.540009 
1 1 1 11 10 31 o 156.955 1.8724 247.292  3.8712  157.949 2.0212 155.961 3.1524 1.988586       3.744718 
1 1 1 11 10 33 o 34.013  3.0553 11.621   1.4686  34.764  4.2244 33.262  4.4152 1.501804       6.110602 
1 1 1 11 10 35 o 106.686 1.6035 114.070  2.2520  106.925 1.7317 106.447 2.6993 0.4784546      3.207010 
1 1 1 11 10 37 o 51.609  2.3378 26.844   1.6770  52.557  2.9157 50.661  3.6550 1.895538       4.675529 
1 1 1 11 10 39 o 44.244  2.8466 19.835   1.7274  45.223  3.3885 43.266  4.5749 1.957870       5.693163 
1 1 1 11 10 41 o 85.787  1.8536 73.232   2.0691  84.066  1.9748 87.507  3.1375 -3.441544      3.707263 
1 1 1 11 10 43 o 44.089  3.0710 20.025   1.8701  46.403  3.7152 41.774  4.8911 4.629021       6.142064 
1 1 1 11 10 45 o 48.167  3.3911 22.869   1.9857  44.669  3.2876 51.665  5.9322 -6.995533      6.782259 
1 1 1 11 10 47 o 53.778  2.8297 30.079   2.0374  54.489  3.1639 53.068  4.6924 1.421497       5.659410 
1 1 1 11 10 49 o 19.504  5.4571 3.0758   2.0870  15.062  6.3752 23.946  8.8587 -8.884053      10.91418 
1 1 1 11 10 51 o 13.099  4.2393 -1.3845  1.7744  13.077  5.8122 13.120  6.1729 -0.4245949E-01 8.478541 
1 1 1 11 10 53 o 15.532  4.9285 0.4964   2.2626  13.905  6.4644 17.158  7.4413 -3.252774      9.857086 
1 1 1 11 11 0  o 827.364 6.9699 6848.73  115.314 827.364 6.9699 ?       ?      0.000000       0.000000 
1 1 1 11 11 2  o 830.363 4.9373 6896.15  57.925  837.104 7.1318 823.622 6.8299 13.48163       9.874660 
1 1 1 11 11 4  o 795.447 4.8815 6329.62  54.885  800.181 7.0140 790.713 6.7911 9.467346       9.762950 
1 1 1 11 11 6  o 324.439 2.2823 1052.61  10.468  325.757 3.2733 323.121 3.1814 2.635529       4.564667 
1 1 1 11 11 8  o 74.741  1.3294 55.826   1.4018  75.381  1.9482 74.100  1.8095 1.281067       2.658896 
1 1 1 11 11 10 o 494.967 3.3716 2444.42  22.589  491.158 3.9130 498.776 5.4918 -7.618256      6.743255 
1 1 1 11 11 12 f 468.759 3.1932 2192.72  20.578  464.470 3.8766 473.048 5.0751 -8.578369      6.386325 
1 1 1 11 11 14 o 793.821 4.8596 6296.77  53.097  787.631 5.9179 800.010 7.7098 -12.37860      9.719192 
1 1 1 11 11 16 o 163.737 1.5168 268.063  3.5106  167.714 2.1320 159.760 2.1582 7.954193       3.033657 
1 1 1 11 11 18 o 172.994 1.5344 299.499  3.7022  173.514 1.9503 172.474 2.3693 1.039856       3.068769 
1 1 1 11 11 20 o 387.005 2.5816 1491.44  13.750  380.090 3.1582 393.920 4.0847 -13.82983      5.163191 
1 1 1 11 11 22 o 57.695  1.8469 33.663   1.4241  59.359  2.0438 56.030  3.0768 3.329128       3.693770 
1 1 1 11 11 24 o 121.685 1.3935 148.230  2.3906  122.684 1.8736 120.686 2.0633 1.997261       2.787075 
1 1 1 11 11 26 o 300.379 2.2808 903.096  9.4482  300.249 2.7858 300.509 3.6121 -0.2592773     4.561560 
1 1 1 11 11 28 o 86.476  1.5190 74.661   1.8318  85.521  1.9412 87.431  2.3369 -1.909660      3.038004 
1 1 1 11 11 30 o 169.074 1.7048 286.147  4.0120  169.183 2.1512 168.964 2.6453 0.2193909      3.409556 
1 1 1 11 11 32 o 286.757 2.2789 823.859  9.0947  286.388 2.8761 287.126 3.5358 -0.7375183     4.557818 
1 1 1 11 11 34 o 85.469  1.7616 73.607   1.9921  86.763  1.9134 84.176  2.9583 2.587555       3.523148 
1 1 1 11 11 36 o 105.260 1.7899 112.476  2.4973  108.669 1.9390 101.851 3.0091 6.818375       3.579723 
1 1 1 11 11 38 o 64.502  2.3086 42.087   1.9454  65.510  2.4367 63.495  3.9218 2.014435       4.617161 
1 1 1 11 11 40 o 19.161  4.8960 2.8605   1.7274  15.470  6.2944 22.853  7.5010 -7.382754      9.792072 
1 1 1 11 11 42 o 52.996  2.5508 28.056   1.8815  49.647  3.3438 56.345  3.8529 -6.697876      5.101542 
1 1 1 11 11 44 o 44.666  3.2784 20.116   2.0157  41.518  4.1523 47.814  5.0745 -6.295918      6.556812 
1 1 1 11 11 46 o 45.310  3.0821 20.838   1.9052  41.791  3.8197 48.830  4.8382 -7.039364      6.164227 
1 1 1 11 11 48 o 24.463  5.7631 7.0169   2.2389  24.692  6.7786 24.233  9.3222 0.4588051      11.52615 
1 1 1 11 11 50 o 41.130  3.8125 18.851   2.1409  43.099  4.4444 39.160  6.1958 3.938656       7.625054 
1 1 1 11 11 52 o 20.994  5.4585 5.7541   2.0507  20.453  6.8695 21.536  8.4847 -1.083273      10.91696 
1 1 1 11 12 1  o 115.841 1.3643 134.214  2.2348  114.629 1.9496 117.054 1.9092 -2.425224      2.728693 
1 1 1 11 12 3  o 509.031 3.7227 2583.30  26.392  500.623 4.7446 517.438 5.7380 -16.81512      7.445477 
1 1 1 11 12 5  o 45.758  2.0379 21.361   1.2483  43.175  3.4014 48.340  2.2455 -5.164623      4.075732 
1 1 1 11 12 7  o 549.631 3.5281 3021.05  27.404  554.498 5.0781 544.765 4.8993 9.733948       7.056208 
1 1 1 11 12 9  o 262.213 2.0325 687.846  7.5338  259.668 2.9261 264.758 2.8216 -5.089996      4.064948 
1 1 1 11 12 11 o 323.581 2.3650 1046.66  10.811  327.416 3.4127 319.745 3.2749 7.670410       4.729904 
1 1 1 11 12 13 o 662.818 4.2203 4380.50  38.185  654.290 5.0257 671.346 6.7812 -17.05573      8.440554 
1 1 1 11 12 15 o 638.152 3.9830 4058.48  34.681  629.009 4.7405 647.294 6.4019 -18.28455      7.965945 
1 1 1 11 12 17 o 288.732 2.1475 833.011  8.5882  287.309 2.6668 290.156 3.3669 -2.847504      4.295080 
1 1 1 11 12 19 o 545.833 3.4525 2985.93  26.147  548.219 4.2977 543.448 5.4046 4.769958       6.905067 
1 1 1 11 12 21 o 238.611 1.9220 569.891  6.4769  240.460 2.6288 236.761 2.8047 3.698746       3.844073 
1 1 1 11 12 23 o 176.479 1.7084 312.177  4.2266  178.674 2.2156 174.285 2.6011 4.389725       3.416850 
1 1 1 11 12 25 o 186.583 1.7041 347.547  4.3956  184.886 2.1066 188.280 2.6791 -3.393890      3.408146 
1 1 1 11 12 27 o 105.386 1.6287 111.164  2.4263  107.174 2.2639 103.599 2.3420 3.574638       3.257361 
1 1 1 11 12 29 o 120.954 1.5388 146.105  2.5789  119.935 1.9166 121.973 2.4080 -2.038857      3.077609 
1 1 1 11 12 31 o 80.268  1.7700 64.159   1.9986  76.180  2.4306 84.357  2.5735 -8.176872      3.539904 
1 1 1 11 12 33 o 109.218 1.4912 119.457  2.2915  109.691 1.9791 108.745 2.2312 0.9467773      2.982476 
1 1 1 11 12 35 o 27.914  4.1275 8.2878   1.5860  32.047  4.5825 23.782  6.8662 8.265079       8.254924 
1 1 1 11 12 37 o 38.184  3.2558 14.898   1.7027  39.979  3.8330 36.389  5.2640 3.590221       6.511625 
1 1 1 11 12 39 f 25.420  4.5917 6.7387   1.6208  23.565  5.9551 27.275  6.9908 -3.710363      9.183362 
1 1 1 11 12 41 o 19.907  5.1031 3.3841   1.8623  20.721  6.7361 19.093  7.6676 1.627636       10.20625 
1 1 1 11 12 43 o 14.552  4.4850 -0.6501  1.7414  12.389  5.6730 16.714  6.9482 -4.325000      8.969951 
1 1 1 11 12 45 o 15.042  4.6205 -0.5438  1.8784  15.725  6.3352 14.359  6.7277 1.365922       9.241033 
1 1 1 11 12 47 o 19.683  5.1388 3.7033   1.8815  16.608  6.6337 22.758  7.8502 -6.149061      10.27769 
1 1 1 11 12 49 o 17.280  5.0067 1.7421   2.0318  18.448  6.8127 16.113  7.3387 2.334820       10.01348 
1 1 1 11 12 51 o 23.947  5.2746 7.3867   2.0253  19.690  7.2036 28.204  7.7067 -8.514507      10.54918 
1 1 1 11 13 0  o 687.818 6.2022 4733.62  85.304  687.818 6.2022 ?       ?      0.000000       0.000000 
1 1 1 11 13 2  o 382.210 2.7169 1460.97  14.683  386.635 3.8479 377.784 3.8366 8.851440       5.433731 
1 1 1 11 13 4  o 624.832 3.9828 3899.29  35.040  635.094 5.8915 614.570 5.3610 20.52490       7.965505 
1 1 1 11 13 6  o 664.488 4.5465 4417.98  42.583  666.081 6.7198 662.895 6.1260 3.186340       9.093024 
1 1 1 11 13 8  o 769.090 4.6235 5920.37  50.270  769.477 6.6383 768.703 6.4374 0.7744141      9.246991 
1 1 1 11 13 10 o 194.543 1.7646 378.666  4.8518  192.655 2.5520 196.430 2.4379 -3.775269      3.529287 
1 1 1 11 13 12 o 451.774 2.9780 2041.64  19.022  445.588 4.1985 457.960 4.2245 -12.37189      5.956037 
1 1 1 11 13 14 o 424.473 2.9242 1810.32  17.142  431.662 3.5648 417.284 4.6363 14.37869       5.848380 
1 1 1 11 13 16 o 79.136  1.3997 62.602   1.5585  78.774  1.8643 79.498  2.0882 -0.7244644     2.799333 
1 1 1 11 13 18 o 328.831 2.3942 1085.69  11.051  337.870 3.1182 319.792 3.6339 18.07791       4.788304 
1 1 1 11 13 20 o 159.696 1.4987 255.146  3.3841  157.737 2.1454 161.655 2.0934 -3.918289      2.997495 
1 1 1 11 13 22 o 265.966 2.1775 706.702  7.8216  264.659 2.5091 267.273 3.5596 -2.613953      4.354970 
1 1 1 11 13 24 o 173.410 1.5671 300.768  3.8044  173.086 2.0289 173.734 2.3889 -0.6482697     3.134200 
1 1 1 11 13 26 o 245.936 2.1158 607.487  7.1692  249.159 2.5626 242.712 3.3673 6.446793       4.231532 
1 1 1 11 13 28 o 90.776  1.4421 82.363   1.8495  88.667  2.0163 92.884  2.0623 -4.216682      2.884173 
1 1 1 11 13 30 o 273.540 2.4099 747.203  8.7753  271.134 2.6846 275.946 4.0030 -4.812347      4.819890 
1 1 1 11 13 32 o 254.558 2.1438 645.632  7.4700  249.928 2.5803 259.188 3.4242 -9.259216      4.287582 
1 1 1 11 13 34 o 89.354  1.8812 80.684   2.2776  91.669  2.1592 87.038  3.0811 4.630646       3.762362 
1 1 1 11 13 36 o 176.711 1.9368 313.186  4.3957  176.770 1.9866 176.651 3.3253 0.1191101      3.873575 
1 1 1 11 13 38 o 34.670  3.8460 12.610   1.7855  38.804  4.4428 30.536  6.2792 8.267597       7.691971 
1 1 1 11 13 40 o 59.629  2.2720 35.790   1.9134  57.289  3.2321 61.970  3.1941 -4.681038      4.544101 
1 1 1 11 13 42 o 19.060  4.9713 2.7881   1.8623  21.027  6.7270 17.093  7.3213 3.933926       9.942520 
1 1 1 11 13 44 o 18.682  5.3917 2.2658   2.0140  16.284  6.4143 21.080  8.6683 -4.796560      10.78346 
1 1 1 11 13 46 o 46.300  3.3572 22.709   1.9832  47.595  3.3538 45.005  5.8168 2.590290       6.714413 
1 1 1 11 13 48 o 40.270  4.7869 19.659   2.3188  46.736  4.0986 33.804  8.6521 12.93176       9.573779 
1 1 1 11 13 50 o 17.899  5.3959 2.4815   2.1537  15.188  6.3994 20.609  8.6897 -5.420733      10.79183 
1 1 1 11 14 1  o 594.396 3.7983 3535.40  31.924  597.143 5.3142 591.650 5.4283 5.493286       7.596588 
1 1 1 11 14 3  o 320.715 2.3458 1028.61  10.610  321.458 3.4561 319.972 3.1728 1.486572       4.691667 
1 1 1 11 14 5  o 441.773 2.9863 1952.39  18.618  441.693 4.0621 441.853 4.3785 -0.1600342     5.972619 
1 1 1 11 14 7  o 249.026 1.9613 619.565  6.8580  251.035 2.9504 247.017 2.5849 4.017990       3.922579 
1 1 1 11 14 9  o 234.715 1.7316 551.088  5.7458  233.599 2.4873 235.831 2.4096 -2.231705      3.463121 
1 1 1 11 14 11 o 390.354 2.6548 1524.52  14.650  390.139 3.8133 390.570 3.6947 -0.4309998     5.309586 
1 1 1 11 14 13 o 277.933 2.1302 772.076  8.3332  280.007 3.1696 275.860 2.8470 4.146393       4.260492 
1 1 1 11 14 15 o 444.538 3.3045 1974.75  20.348  441.340 4.1087 447.736 5.1767 -6.396240      6.609048 
1 1 1 11 14 17 o 498.988 3.2742 2495.62  22.609  501.379 4.0370 496.597 5.1559 4.781952       6.548317 
1 1 1 11 14 19 o 335.369 2.4345 1129.16  11.364  340.611 3.0556 330.127 3.7909 10.48438       4.869007 
1 1 1 11 14 21 o 132.093 1.6743 175.727  2.9797  134.592 1.8976 129.593 2.7591 4.999313       3.348672 
1 1 1 11 14 23 o 168.399 1.5957 283.553  3.7924  167.000 2.1793 169.798 2.3314 -2.798355      3.191397 
1 1 1 11 14 25 o 142.121 1.4978 201.984  2.9792  141.700 1.9376 142.542 2.2845 -0.8415222     2.995536 
1 1 1 11 14 27 o 98.093  1.5415 96.100   2.1347  94.516  2.1618 101.670 2.1981 -7.154289      3.082961 
1 1 1 11 14 29 o 21.202  4.4168 4.5887   1.4303  22.658  5.8713 19.747  6.6000 2.911495       8.833570 
1 1 1 11 14 31 o 70.042  1.8688 48.980   1.8429  71.950  2.7510 68.135  2.5302 3.815102       3.737685 
1 1 1 11 14 33 o 25.316  4.5903 6.7485   1.6503  26.328  5.9586 24.304  6.9841 2.024309       9.180545 
1 1 1 11 14 35 o 143.161 1.6591 205.693  3.3494  145.891 2.2321 140.432 2.4552 5.458984       3.318172 
1 1 1 11 14 37 o 87.804  1.7099 77.561   2.0897  89.315  2.1447 86.292  2.6638 3.023712       3.419836 
1 1 1 11 14 39 o 62.820  2.3778 40.393   1.9714  65.250  2.5442 60.390  4.0177 4.859890       4.755548 
1 1 1 11 14 41 o 16.009  4.8048 -0.5456  2.0123  17.353  6.7126 14.665  6.8764 2.688344       9.609581 
1 1 1 11 14 43 f 20.235  5.1047 3.9263   1.8181  20.323  6.6000 20.148  7.7893 0.1748543      10.20947 
1 1 1 11 14 45 o 31.975  4.8780 11.849   2.0013  35.078  4.5506 28.872  8.6297 6.205500       9.755991 
1 1 1 11 14 47 f 63.565  4.3010 46.113   2.7900  68.851  2.8748 58.279  8.1074 10.57195       8.601982 
1 1 1 11 14 49 o 15.692  4.7457 0.8646   1.9050  16.349  6.5909 15.035  6.8299 1.314088       9.491458 
1 1 1 11 14 51 o 18.687  5.2376 3.9162   2.1246  19.895  7.0978 17.478  7.7039 2.416752       10.47515 
1 1 1 11 15 0  o 136.905 2.2400 187.593  6.1296  136.905 2.2400 ?       ?      0.000000       0.000000 
1 1 1 11 15 2  o 364.833 2.6301 1331.55  13.565  364.940 3.6567 364.726 3.7814 0.2145691      5.260257 
1 1 1 11 15 4  o 229.868 2.0156 528.833  6.5370  228.089 2.9673 231.648 2.7288 -3.559219      4.031296 
1 1 1 11 15 6  o 191.774 1.7336 367.839  4.6754  191.788 2.5968 191.759 2.2975 0.2879333E-01  3.467256 
1 1 1 11 15 8  o 335.237 2.3706 1124.09  11.232  336.453 3.4160 334.021 3.2879 2.432190       4.741204 
1 1 1 11 15 10 f 201.025 1.7548 403.663  4.9509  202.880 2.6436 199.171 2.3082 3.709335       3.509500 
1 1 1 11 15 12 o 387.126 2.6480 1498.67  14.471  390.341 3.8604 383.911 3.6257 6.430817       5.296059 
1 1 1 11 15 14 o 183.144 1.5910 335.177  4.1062  184.937 2.3477 181.351 2.1477 3.585907       3.181900 
1 1 1 11 15 16 o 135.767 1.5153 184.086  2.8880  137.270 2.2792 134.265 1.9973 3.004272       3.030539 
1 1 1 11 15 18 o 156.992 1.5318 247.063  3.3648  158.989 1.9679 154.995 2.3481 3.993866       3.063675 
1 1 1 11 15 20 o 246.906 2.6501 617.466  8.0178  251.707 2.4606 242.104 4.6944 9.603210       5.300201 
1 1 1 11 15 22 f 301.505 2.3519 912.510  9.8804  305.707 2.9658 297.302 3.6510 8.404388       4.703843 
1 1 1 11 15 24 o 52.354  2.1581 27.456   1.5963  53.695  2.9728 51.012  3.1292 2.683113       4.316181 
1 1 1 11 15 26 f 162.147 1.6318 262.779  3.7131  160.758 2.1448 163.535 2.4598 -2.777618      3.263521 
1 1 1 11 15 28 o 37.173  2.6131 13.860   1.3720  37.432  3.5821 36.913  3.8055 0.5199165      5.226195 
1 1 1 11 15 30 o 123.198 1.5987 151.541  2.7478  121.553 2.0486 124.843 2.4549 -3.290367      3.197443 
1 1 1 11 15 32 o 83.737  1.6262 69.963   1.8815  82.533  2.0115 84.941  2.5558 -2.407906      3.252400 
1 1 1 11 15 34 o 76.310  1.9231 58.385   2.0746  74.682  2.7359 77.938  2.7035 -3.256592      3.846298 
1 1 1 11 15 36 o 73.429  1.8101 54.092   1.7966  73.509  2.0846 73.348  2.9598 0.1616516      3.620212 
1 1 1 11 15 38 o 49.777  3.0040 25.190   2.0157  50.457  3.4167 49.097  4.9419 1.360176       6.008013 
1 1 1 11 15 40 o 22.405  4.8969 2.6055   2.0013  11.638  5.4534 33.173  8.1352 -21.53507      9.793888 
1 1 1 11 15 42 o 22.356  4.8705 5.3128   1.6625  21.537  6.3757 23.174  7.3646 -1.636248      9.740923 
1 1 1 11 15 44 o 44.764  5.0135 20.413   2.4576  40.597  4.2465 48.930  9.0833 -8.333412      10.02690 
1 1 1 11 15 46 o 12.837  4.2059 -2.2426  1.8192  12.377  5.7944 13.297  6.0977 -0.9206867     8.411723 
1 1 1 11 15 48 o 21.925  5.0188 5.6912   1.8815  24.868  6.5747 18.983  7.5848 5.884176       10.03770 
1 1 1 11 15 50 o 22.758  5.3008 6.7925   1.9986  19.741  7.2054 25.775  7.7767 -6.034355      10.60163 
1 1 1 11 16 1  o 294.876 2.1898 869.111  9.1145  298.055 3.1919 291.697 2.9988 6.358185       4.379660 
1 1 1 11 16 3  o 116.911 1.4907 136.774  2.4479  116.445 2.2482 117.376 1.9583 -0.9307098     2.981485 
1 1 1 11 16 5  o 127.574 1.5231 161.729  2.7084  131.676 2.3275 123.473 1.9651 8.203423       3.046140 
1 1 1 11 16 7  o 190.669 1.7525 363.639  4.7241  190.451 2.5144 190.887 2.4418 -0.4364929     3.504973 
1 1 1 11 16 9  o 443.739 3.0430 1970.11  19.074  445.384 4.4155 442.094 4.1884 3.289337       6.085994 
1 1 1 11 16 11 o 311.447 2.2977 970.391  10.119  308.056 3.2541 314.839 3.2449 -6.782959      4.595480 
1 1 1 11 16 13 o 182.956 1.6956 334.780  4.3456  183.126 2.5802 182.786 2.2007 0.3400879      3.391207 
1 1 1 11 16 15 o 197.752 1.9688 391.632  5.4726  199.307 2.5949 196.197 2.9615 3.110962       3.937541 
1 1 1 11 16 17 o 277.870 2.0900 772.916  8.1947  276.519 3.0711 279.220 2.8356 -2.701569      4.179940 
1 1 1 11 16 19 o 191.968 2.0013 369.195  5.2350  192.655 2.3531 191.281 3.2379 1.374054       4.002634 
1 1 1 11 16 21 o 456.240 3.3730 2085.42  21.582  454.948 4.4069 457.531 5.1077 -2.582520      6.746047 
1 1 1 11 16 23 o 127.423 1.6369 162.803  2.9246  129.257 2.1241 125.589 2.4912 3.668076       3.273826 
1 1 1 11 16 25 o 95.322  1.7058 90.630   2.2827  97.560  2.5525 93.085  2.2636 4.475143       3.411583 
1 1 1 11 16 27 o 105.830 1.4936 111.939  2.2275  107.334 2.2011 104.327 2.0197 3.006111       2.987251 
1 1 1 11 16 29 o 191.216 2.1591 363.998  5.4904  188.270 2.4079 194.162 3.5845 -5.892502      4.318170 
1 1 1 11 16 31 o 76.191  1.8785 58.426   2.0067  78.880  2.4284 73.503  2.8666 5.376892       3.756966 
1 1 1 11 16 33 o 127.361 1.7082 162.627  3.0435  127.685 2.2003 127.037 2.6136 0.6474991      3.416430 
1 1 1 11 16 35 o 33.349  4.0716 11.303   1.8571  37.542  5.6125 29.156  5.9001 8.386431       8.143237 
1 1 1 11 16 37 o 47.921  3.3865 23.587   1.9831  49.105  3.1207 46.736  6.0112 2.368580       6.772976 
1 1 1 11 16 39 o 17.302  4.7993 1.6736   1.7520  18.231  6.4401 16.373  7.1175 1.857735       9.598650 
1 1 1 11 16 41 o 33.698  4.4686 12.569   1.7585  36.482  3.6754 30.914  8.1464 5.567715       8.937119 
1 1 1 11 16 43 o 28.082  4.9586 9.0256   1.9608  29.748  6.2123 26.416  7.7304 3.331869       9.917258 
1 1 1 11 16 45 o 15.638  4.6509 0.1424   1.9050  17.606  6.7363 13.671  6.4144 3.934499       9.301724 
1 1 1 11 16 47 o 20.728  5.5507 4.5317   2.1537  20.684  6.8695 20.772  8.7207 -0.8792496E-01 11.10137 
1 1 1 11 16 49 f 15.316  4.7511 0.5911   1.9464  12.958  5.9176 17.674  7.4346 -4.715958      9.502168 
1 1 1 11 17 0  o 461.607 4.4964 2132.22  41.503  461.607 4.4964 ?       ?      0.000000       0.000000 
1 1 1 11 17 2  o 141.125 1.6525 199.646  3.2855  137.414 2.4627 144.836 2.2042 -7.421692      3.305067 
1 1 1 11 17 4  o 437.124 2.9747 1911.97  18.385  438.471 4.2521 435.777 4.1612 2.693817       5.949459 
1 1 1 11 17 6  o 276.024 2.1108 762.259  8.2323  275.431 3.0600 276.616 2.9084 -1.184570      4.221688 
1 1 1 11 17 8  o 113.966 1.7638 129.968  2.8410  112.705 2.5494 115.227 2.4382 -2.521919      3.527605 
1 1 1 11 17 10 o 364.438 2.5976 1327.34  13.321  368.468 3.8643 360.407 3.4724 8.061646       5.195197 
1 1 1 11 17 12 f 273.546 2.0480 748.747  7.9092  272.970 2.9940 274.123 2.7951 -1.152405      4.095975 
1 1 1 11 17 14 o 143.954 1.5216 207.076  3.0885  145.615 2.2363 142.293 2.0641 3.321793       3.043295 
1 1 1 11 17 16 o 233.456 1.9165 545.176  6.3051  234.173 2.8357 232.738 2.5788 1.435486       3.832962 
1 1 1 11 17 18 o 229.356 1.9519 526.304  6.2980  229.861 2.9167 228.852 2.5947 1.008865       3.903802 
1 1 1 11 17 20 o 176.057 1.9513 310.471  4.8518  172.646 2.8477 179.467 2.6683 -6.821762      3.902507 
1 1 1 11 17 22 o 194.499 1.7558 377.853  4.7850  192.181 2.2925 196.818 2.6602 -4.637054      3.511698 
1 1 1 11 17 24 o 92.290  1.6019 85.055   2.0354  91.572  1.9524 93.007  2.5401 -1.434822      3.203709 
1 1 1 11 17 26 o 96.239  1.5714 92.408   2.1271  93.692  2.1126 98.786  2.3269 -5.094681      3.142848 
1 1 1 11 17 28 o 277.091 2.3591 771.016  9.1306  280.094 3.0091 274.089 3.6341 6.004669       4.718189 
1 1 1 11 17 30 o 71.343  1.8013 50.646   1.8057  75.315  2.6281 67.371  2.4641 7.943802       3.602625 
1 1 1 11 17 32 o 167.613 1.7822 281.972  4.2054  169.783 2.3693 165.442 2.6630 4.340225       3.564375 
1 1 1 11 17 34 o 46.511  2.6231 21.775   1.7216  46.591  3.5632 46.431  3.8505 0.1596146      5.246188 
1 1 1 11 17 36 o 13.393  4.2533 -2.0023  1.6625  10.519  5.0231 16.268  6.8651 -5.749377      8.506514 
1 1 1 11 17 38 o 15.992  4.6649 0.8821   1.7145  16.332  6.5107 15.651  6.6827 0.6810484      9.329875 
1 1 1 11 17 40 o 31.337  4.6786 10.599   1.9865  29.747  6.2125 32.928  6.9973 -3.181141      9.357241 
1 1 1 11 17 42 o 46.719  4.4383 24.973   2.4973  53.493  3.9389 39.945  7.9547 13.54818       8.876509 
1 1 1 11 17 44 o 58.207  2.8772 34.710   2.2042  56.742  3.1508 59.671  4.8152 -2.928982      5.754420 
1 1 1 11 17 46 o 21.194  5.3098 5.0801   1.9933  21.856  6.9908 20.532  7.9941 1.324766       10.61959 
1 1 1 11 17 48 o 18.278  4.7019 2.7903   1.8964  22.913  6.9335 13.644  6.3529 9.268688       9.403842 
1 1 1 11 18 1  o 227.464 1.9455 517.211  6.2469  225.180 2.6654 229.749 2.8347 -4.568939      3.891016 
1 1 1 11 18 3  o 224.244 1.8523 502.958  5.8735  226.706 2.6193 221.781 2.6199 4.924347       3.704650 
1 1 1 11 18 5  o 165.175 1.6557 271.559  3.8184  169.480 2.5242 160.870 2.1433 8.610657       3.311376 
1 1 1 11 18 7  o 135.460 1.4913 183.957  2.8238  133.643 2.2933 137.277 1.9070 -3.634430      2.982587 
1 1 1 11 18 9  o 173.170 1.6034 299.961  3.9265  173.465 2.2822 172.876 2.2530 0.5890961      3.206898 
1 1 1 11 18 11 o 447.642 3.0423 2006.40  19.236  447.255 4.4256 448.028 4.1757 -0.7728271     6.084567 
1 1 1 11 18 13 o 160.454 1.7089 257.491  3.8310  160.727 2.6219 160.182 2.1924 0.5441437      3.417737 
1 1 1 11 18 15 o 212.353 1.8431 451.567  5.5081  210.828 2.7560 213.878 2.4480 -3.050049      3.686212 
1 1 1 11 18 17 f 228.355 1.9017 521.830  6.1057  228.414 2.8513 228.295 2.5172 0.1184692      3.803409 
1 1 1 11 18 19 o 195.581 1.7556 382.471  4.8392  197.093 2.5917 194.070 2.3689 3.023224       3.511175 
1 1 1 11 18 21 o 67.705  1.8160 45.471   1.6648  69.440  2.9424 65.971  2.1293 3.468979       3.632051 
1 1 1 11 18 23 f 357.413 2.6771 1277.31  13.298  353.941 3.3735 360.885 4.1578 -6.944153      5.354200 
1 1 1 11 18 25 o 154.329 1.7997 238.474  3.9245  154.230 2.4840 154.428 2.6048 -0.1971893     3.599335 
1 1 1 11 18 27 o 92.576  1.7810 85.432   2.3091  95.082  2.6861 90.070  2.3394 5.011757       3.561997 
1 1 1 11 18 29 o 155.087 1.7973 242.201  3.8436  158.390 2.1769 151.784 2.8605 6.605667       3.594634 
1 1 1 11 18 31 o 198.878 1.8329 396.747  5.1160  199.778 2.3970 197.978 2.7736 1.800583       3.665892 
1 1 1 11 18 33 o 80.489  2.0533 65.161   2.3266  81.970  2.7263 79.008  3.0710 2.961319       4.106539 
1 1 1 11 18 35 o 24.522  4.7943 6.3094   1.7145  26.382  6.9292 22.662  6.6278 3.720175       9.588587 
1 1 1 11 18 37 o 36.557  4.6695 14.450   2.1907  39.608  4.6750 33.507  8.0846 6.101048       9.339002 
1 1 1 11 18 39 o 63.614  2.4782 41.005   2.1469  63.507  2.9157 63.722  4.0081 -0.2146111     4.956392 
1 1 1 11 18 41 o 25.071  4.8669 6.8354   1.7744  20.373  6.5985 29.769  7.1559 -9.396132      9.733770 
1 1 1 11 18 43 o 20.145  4.8486 4.3418   1.6601  20.986  6.8695 19.305  6.8444 1.681013       9.697213 
1 1 1 11 18 45 o 23.877  5.2603 6.7759   2.0761  27.109  6.8290 20.645  8.0031 6.464495       10.52068 
1 1 1 11 18 47 o 13.830  4.5678 -2.3763  2.1802  12.615  5.9492 15.046  6.9329 -2.431506      9.135534 
1 1 1 11 18 49 o 15.834  5.1197 0.1908   2.4463  15.070  6.6176 16.599  7.8137 -1.529024      10.23942 
1 1 1 11 19 0  o 562.099 5.0331 3162.51  56.571  562.099 5.0331 ?       ?      0.000000       0.000000 
1 1 1 11 19 2  o 325.785 2.4457 1061.08  11.254  320.521 3.3865 331.049 3.5296 -10.52829      4.891478 
1 1 1 11 19 4  o 158.052 1.7447 250.053  3.8907  156.677 2.5674 159.427 2.3629 -2.750732      3.489306 
1 1 1 11 19 6  o 29.740  3.1196 8.8944   1.2642  33.883  4.1457 25.596  4.6628 8.287315       6.239278 
1 1 1 11 19 8  o 281.967 2.1386 795.749  8.5210  280.333 3.0976 283.601 2.9494 -3.267395      4.277147 
1 1 1 11 19 10 f 71.364  1.9755 51.241   1.9773  67.874  3.0103 74.855  2.5590 -6.981415      3.950987 
1 1 1 11 19 12 o 156.835 1.6133 246.107  3.5711  156.588 2.3650 157.082 2.1950 -0.4934387     3.226648 
1 1 1 11 19 14 o 129.704 1.4645 168.164  2.6680  130.488 2.2019 128.921 1.9316 1.567398       2.929070 
1 1 1 11 19 16 o 136.697 1.5548 186.865  2.9887  137.206 2.3268 136.187 2.0629 1.019058       3.109607 
1 1 1 11 19 18 o 259.592 2.1872 675.260  7.9978  256.875 3.2562 262.310 2.9210 -5.434387      4.374373 
1 1 1 11 19 20 o 337.061 2.6025 1138.59  12.360  335.584 3.8624 338.538 3.4892 -2.953613      5.205085 
1 1 1 11 19 22 o 139.537 1.6544 194.771  3.2363  139.986 2.5087 139.089 2.1576 0.8970184      3.308866 
1 1 1 11 19 24 o 86.455  1.6482 74.731   1.9986  85.724  2.1600 87.186  2.4900 -1.462067      3.296311 
1 1 1 11 19 26 o 67.063  1.9853 44.955   1.8787  65.259  2.7396 68.866  2.8742 -3.607132      3.970676 
1 1 1 11 19 28 o 45.240  2.8858 20.600   1.7744  45.554  3.3639 44.927  4.6900 0.6270905      5.771658 
1 1 1 11 19 30 o 98.109  1.9624 96.677   2.7043  99.297  2.5721 96.922  2.9645 2.375557       3.924807 
1 1 1 11 19 32 o 84.009  1.8271 70.756   2.1690  82.915  2.5412 85.104  2.6259 -2.188553      3.654232 
1 1 1 11 19 34 o 33.624  3.8942 11.493   1.8517  33.814  5.4760 33.434  5.5382 0.3797874      7.788323 
1 1 1 11 19 36 f 46.353  3.1646 21.784   2.0707  47.559  4.5647 45.147  4.3843 2.412636       6.329154 
1 1 1 11 19 38 o 29.291  4.4865 9.1161   1.7251  29.733  4.7244 28.849  7.6286 0.8839970      8.973024 
1 1 1 11 19 40 o 30.579  4.6063 10.610   1.9050  34.642  4.7922 26.516  7.8681 8.126123       9.212633 
1 1 1 11 19 42 o 17.755  4.8812 1.8171   1.9427  21.124  7.2535 14.386  6.5338 6.737694       9.762379 
1 1 1 11 19 44 f 16.262  5.0475 0.2943   2.1246  14.003  6.2491 18.521  7.9283 -4.518317      10.09501 
1 1 1 11 19 46 o 17.012  5.0379 1.8173   2.0629  17.868  7.1292 16.157  7.1200 1.711311       10.07571 
1 1 1 11 19 48 o 21.211  5.3661 6.0196   2.0354  21.540  7.1288 20.882  8.0225 0.6577911      10.73224 
1 1 1 11 20 1  o 171.330 1.6347 293.646  3.9546  171.313 2.2363 171.347 2.3849 -0.3320313E-01 3.269342 
1 1 1 11 20 3  o 205.489 1.9005 422.072  5.5140  208.437 2.7570 202.542 2.6165 5.895248       3.800942 
1 1 1 11 20 5  o 466.606 3.1448 2180.47  20.751  465.174 4.4747 468.038 4.4201 -2.864166      6.289678 
1 1 1 11 20 7  o 339.767 2.4924 1155.25  11.958  341.109 3.6314 338.426 3.4149 2.683105       4.984835 
1 1 1 11 20 9  o 185.081 1.7441 342.631  4.5633  183.565 2.4348 186.597 2.4979 -3.031876      3.488297 
1 1 1 11 20 11 o 198.419 1.7637 393.776  4.9433  197.007 2.4308 199.831 2.5562 -2.824112      3.527423 
1 1 1 11 20 13 o 230.582 1.9638 531.486  6.3333  232.116 2.9984 229.048 2.5368 3.068451       3.927512 
1 1 1 11 20 15 o 115.009 1.4992 131.833  2.3843  116.751 2.3516 113.267 1.8603 3.483948       2.998467 
1 1 1 11 20 17 o 149.611 1.7386 223.373  3.6378  151.970 2.6470 147.253 2.2548 4.716888       3.477129 
1 1 1 11 20 19 o 152.464 1.7418 231.408  3.6564  155.440 2.7522 149.488 2.1356 5.952621       3.483588 
1 1 1 11 20 21 o 68.496  1.9992 46.179   1.8112  71.225  3.3169 65.768  2.2330 5.457275       3.998493 
1 1 1 11 20 23 o 61.825  2.1918 38.225   1.9070  62.849  3.2510 60.800  2.9405 2.049046       4.383515 
1 1 1 11 20 25 o 163.028 1.8183 264.955  4.1274  159.567 2.3209 166.489 2.7996 -6.922028      3.636535 
1 1 1 11 20 27 o 103.858 1.9605 108.095  2.8605  103.842 2.5825 103.874 2.9505 -0.3163147E-01 3.921071 
1 1 1 11 20 29 o 144.727 1.7093 210.558  3.4655  147.725 2.2043 141.729 2.6130 5.996078       3.418580 
1 1 1 11 20 31 o 54.560  2.2349 29.712   1.7027  56.462  3.3926 52.657  2.9102 3.804802       4.469729 
1 1 1 11 20 33 o 70.113  2.2069 49.465   2.1409  70.430  2.7198 69.797  3.4763 0.6326828      4.413778 
1 1 1 11 20 35 f 41.572  3.5169 17.760   2.0412  44.437  4.4543 38.706  5.4438 5.731289       7.033856 
1 1 1 11 20 37 o 37.543  3.0222 14.430   1.5963  35.332  4.5179 39.754  4.0154 -4.421913      6.044398 
1 1 1 11 20 39 o 18.856  4.9565 1.9854   2.0412  23.553  7.4864 14.159  6.4977 9.394726       9.912937 
1 1 1 11 20 41 o 15.231  4.7053 -0.0043  1.9134  14.887  6.5219 15.576  6.7842 -0.6899757     9.410627 
1 1 1 11 20 43 o 15.173  4.8845 -1.9768  2.3599  16.039  6.9924 14.308  6.8219 1.730937       9.768956 
1 1 1 11 20 45 o 16.168  4.9742 0.7090   2.1347  14.754  6.6298 17.583  7.4173 -2.828485      9.948400 
1 1 1 11 20 47 o 14.685  4.8262 -3.2463  2.3658  10.205  5.0782 19.164  8.2087 -8.959568      9.652460 
1 1 1 11 21 0  o 229.256 2.8418 526.000  13.025  229.256 2.8418 ?       ?      0.000000       0.000000 
1 1 1 11 21 2  f 181.835 1.8689 330.110  4.7343  183.791 2.8835 179.880 2.3782 3.910355       3.737718 
1 1 1 11 21 4  o 202.634 1.8502 410.548  5.2873  204.314 2.7188 200.954 2.5101 3.360077       3.700377 
1 1 1 11 21 6  o 81.981  1.8710 66.883   2.1540  85.287  2.7700 78.676  2.5158 6.610817       3.742000 
1 1 1 11 21 8  o 132.152 1.6245 174.085  3.0057  135.093 2.4577 129.212 2.1249 5.881241       3.248920 
1 1 1 11 21 10 o 198.093 1.7673 392.787  4.9466  196.704 2.5643 199.481 2.4326 -2.776917      3.534622 
1 1 1 11 21 12 o 270.626 2.0771 732.489  7.9390  273.897 3.0072 267.355 2.8659 6.541962       4.154111 
1 1 1 11 21 14 o 202.774 1.8813 410.804  5.3801  206.654 2.7499 198.893 2.5682 7.760864       3.762643 
1 1 1 11 21 16 f 163.496 1.7736 267.294  4.0505  164.265 2.7209 162.727 2.2758 1.537308       3.547210 
1 1 1 11 21 18 o 97.601  1.9681 95.130   2.6952  99.228  2.9600 95.975  2.5946 3.253242       3.936167 
1 1 1 11 21 20 o 75.917  1.9092 57.156   1.9933  78.550  3.0076 73.284  2.3524 5.265816       3.818337 
1 1 1 11 21 22 o 175.339 1.8510 308.604  4.5383  172.898 2.8436 177.780 2.3704 -4.882782      3.702000 
1 1 1 11 21 24 o 128.376 1.8575 164.761  3.3008  129.273 2.9141 127.479 2.3040 1.794434       3.714908 
1 1 1 11 21 26 o 121.398 1.9609 147.197  3.3008  119.591 2.4560 123.204 3.0577 -3.612839      3.921871 
1 1 1 11 21 28 o 122.107 1.7996 149.598  3.0806  122.834 2.3391 121.379 2.7354 1.455139       3.599179 
1 1 1 11 21 30 o 126.976 1.7152 162.120  3.0529  129.436 2.2198 124.515 2.6152 4.921234       3.430326 
1 1 1 11 21 32 o 72.953  2.0765 53.543   2.1385  74.622  2.8237 71.285  3.0454 3.336342       4.153009 
1 1 1 11 21 34 o 49.730  3.0507 25.020   2.1156  50.362  4.6910 49.098  3.9014 1.263313       6.101339 
1 1 1 11 21 36 o 65.513  2.3957 43.707   2.1987  62.651  3.6689 68.376  3.0816 -5.724850      4.791368 
1 1 1 11 21 38 o 20.622  5.5305 3.7362   2.2329  22.099  8.0318 19.146  7.6051 2.953686       11.06107 
1 1 1 11 21 40 o 25.695  5.5795 7.5526   2.1892  22.590  7.3790 28.799  8.3711 -6.208799      11.15906 
1 1 1 11 21 42 o 24.476  5.5368 7.1118   2.1240  23.511  7.2000 25.442  8.4134 -1.930870      11.07363 
1 1 1 11 21 44 o 14.961  4.7768 -0.7082  2.0374  12.327  5.7424 17.594  7.6353 -5.266794      9.553625 
1 1 1 11 21 46 o 17.689  5.5153 1.3339   2.5109  13.334  6.2268 22.043  9.1050 -8.709474      11.03058 
1 1 1 11 22 1  o 246.559 2.2531 608.420  7.8453  247.419 3.2774 245.700 3.0925 1.718307       4.506109 
1 1 1 11 22 3  o 134.335 1.7006 180.489  3.2090  134.757 2.5586 133.913 2.2410 0.8444366      3.401259 
1 1 1 11 22 5  o 289.699 2.3149 840.330  9.4817  286.745 3.3178 292.653 3.2290 -5.908966      4.629761 
1 1 1 11 22 7  o 234.292 1.9561 549.228  6.4769  235.514 2.8196 233.070 2.7121 2.443787       3.912238 
1 1 1 11 22 9  o 126.002 1.6889 158.730  2.9792  126.604 2.5721 125.400 2.1895 1.203827       3.377783 
1 1 1 11 22 11 o 266.285 2.4601 710.052  9.2473  266.489 3.3544 266.081 3.5995 0.4080200      4.920190 
1 1 1 11 22 13 o 115.782 1.9106 134.125  3.1274  113.909 2.6906 117.655 2.7135 -3.745667      3.821273 
1 1 1 11 22 15 o 135.996 1.7352 185.195  3.2895  135.633 2.6833 136.359 2.2008 -0.7256317     3.470407 
1 1 1 11 22 17 o 29.623  4.4505 9.2146   1.7744  27.144  7.5127 32.102  4.7736 -4.957413      8.901007 
1 1 1 11 22 19 o 52.151  2.5568 27.592   1.8318  49.689  4.1120 54.614  3.0397 -4.924721      5.113575 
1 1 1 11 22 21 o 114.077 1.8358 130.882  2.9149  111.544 2.8621 116.609 2.2997 -5.065109      3.671579 
1 1 1 11 22 23 o 223.448 2.1026 501.644  6.5738  219.757 3.2251 227.139 2.6986 -7.381973      4.205228 
1 1 1 11 22 25 f 153.876 1.9460 238.036  4.1987  150.762 2.9646 156.990 2.5216 -6.228577      3.892005 
1 1 1 11 22 27 o 75.144  1.9818 56.482   2.0993  72.779  2.7197 77.509  2.8832 -4.729965      3.963538 
1 1 1 11 22 29 o 111.084 1.7327 123.700  2.6952  110.879 2.2458 111.288 2.6392 -0.4088898     3.465427 
1 1 1 11 22 31 o 28.001  4.3110 8.3300   1.6503  27.252  6.6171 28.750  5.5274 -1.497866      8.621962 
1 1 1 11 22 33 o 17.816  5.0034 1.8333   1.8398  19.954  7.6849 15.679  6.4092 4.275378       10.00677 
1 1 1 11 22 35 o 28.870  5.1016 9.0900   1.9503  28.108  8.6764 29.631  5.3690 -1.523088      10.20327 
1 1 1 11 22 37 o 23.622  5.1691 6.1296   1.8815  23.724  7.8556 23.519  6.7208 0.2046394      10.33825 
1 1 1 11 22 39 o 25.232  5.8525 6.8129   2.3086  19.631  7.2015 30.833  9.2275 -11.20177      11.70504 
1 1 1 11 22 41 o 35.184  4.1657 13.814   2.0108  37.499  5.2784 32.869  6.4461 4.630157       8.331488 
1 1 1 11 22 43 o 14.172  4.5687 -1.2630  2.0253  14.143  6.3343 14.201  6.5853 -0.5807304E-01 9.137314 
1 1 1 11 22 45 o 14.475  4.8271 -2.7511  2.5855  14.149  6.7071 14.800  6.9438 -0.6508102     9.654115 
1 1 1 11 23 0  o 293.536 3.4161 862.492  20.049  293.536 3.4161 ?       ?      0.000000       0.000000 
1 1 1 11 23 2  o 160.670 1.8556 258.194  4.2054  159.682 2.5191 161.658 2.7253 -1.976791      3.711236 
1 1 1 11 23 4  o 130.958 1.7254 171.714  3.1912  132.568 2.3600 129.347 2.5175 3.221115       3.450777 
1 1 1 11 23 6  o 346.691 2.6822 1202.09  13.026  343.670 3.4929 349.712 4.0715 -6.042084      5.364458 
1 1 1 11 23 8  o 229.163 2.0490 525.681  6.6404  228.313 2.9085 230.013 2.8870 -1.699615      4.098042 
1 1 1 11 23 10 o 140.801 1.8955 198.873  3.6739  139.606 3.0186 141.997 2.2933 -2.390793      3.790905 
1 1 1 11 23 12 o 198.241 2.3133 394.250  6.1091  199.165 2.5647 197.316 3.8508 1.848206       4.626690 
1 1 1 11 23 14 o 68.958  2.1103 47.373   1.9933  70.148  3.3679 67.769  2.5439 2.378334       4.220631 
1 1 1 11 23 16 o 54.654  2.3948 29.605   1.8164  57.324  3.6757 51.984  3.0707 5.340370       4.789573 
1 1 1 11 23 18 o 59.079  2.3487 35.143   1.8389  58.404  3.9357 59.754  2.5645 -1.350159      4.697495 
1 1 1 11 23 20 o 96.519  1.8124 93.533   2.3440  95.801  2.9992 97.236  2.0356 -1.434319      3.624774 
1 1 1 11 23 22 o 128.604 1.8499 165.416  3.2208  129.186 3.0149 128.023 2.1446 1.163300       3.699888 
1 1 1 11 23 24 f 102.469 2.1423 105.140  3.0701  103.560 3.2677 101.378 2.7712 2.181831       4.284602 
1 1 1 11 23 26 o 57.361  2.8575 34.515   1.9670  53.425  5.1391 61.297  2.5000 -7.871395      5.714911 
1 1 1 11 23 28 o 58.885  2.3548 34.967   1.9344  59.993  2.9800 57.776  3.6469 2.217262       4.709632 
1 1 1 11 23 30 o 42.222  3.1017 17.944   1.8318  40.839  4.0650 43.604  4.6858 -2.764736      6.203334 
1 1 1 11 23 32 o 56.981  3.0599 33.041   2.4578  54.896  4.5361 59.065  4.1079 -4.168846      6.119737 
1 1 1 11 23 34 o 23.482  4.7057 5.2761   1.7744  31.142  6.9449 15.823  6.3515 15.31911       9.411333 
1 1 1 11 23 36 o 40.841  4.5099 17.642   2.3264  42.160  7.7076 39.522  4.6851 2.637253       9.019809 
1 1 1 11 23 38 o 16.758  5.2994 -0.9602  2.4053  20.469  8.6630 13.048  6.1065 7.421098       10.59885 
1 1 1 11 23 40 o 48.592  3.4041 25.071   2.2951  47.744  4.2795 49.440  5.2951 -1.695778      6.808260 
1 1 1 11 23 42 o 22.347  5.3654 5.9362   2.1051  19.461  7.6445 25.234  7.5307 -5.772812      10.73076 
1 1 1 11 23 44 o 18.142  5.3155 2.5656   2.3650  19.745  7.4095 16.539  7.6236 3.205976       10.63109 
1 1 1 11 24 1  o 148.161 1.7220 219.480  3.6005  146.421 2.3548 149.902 2.5131 -3.481094      3.443944 
1 1 1 11 24 3  o 228.034 2.1001 520.546  6.7585  228.178 3.0781 227.889 2.8579 0.2888947      4.200240 
1 1 1 11 24 5  o 72.801  1.9898 52.958   2.0253  73.539  3.0389 72.062  2.5695 1.477020       3.979605 
1 1 1 11 24 7  o 86.855  2.0051 75.344   2.4379  88.060  3.0453 85.651  2.6092 2.408951       4.010204 
1 1 1 11 24 9  o 133.964 2.0328 179.337  3.6808  134.652 3.3193 133.275 2.3475 1.376663       4.065564 
1 1 1 11 24 11 o 67.487  2.5798 45.520   2.4379  68.563  3.9113 66.412  3.3650 2.150375       5.159635 
1 1 1 11 24 13 o 152.275 2.3084 232.191  4.4133  152.383 4.0225 152.167 2.2659 0.2153473      4.616816 
1 1 1 11 24 15 o 77.811  2.3012 59.787   2.2389  79.774  4.0020 75.849  2.2729 3.924240       4.602370 
1 1 1 11 24 17 o 144.868 2.0648 209.421  3.9577  146.160 3.4511 143.577 2.2680 2.582260       4.129694 
1 1 1 11 24 19 o 182.615 2.0809 332.593  5.1027  184.821 3.4202 180.410 2.3713 4.410873       4.161783 
1 1 1 11 24 21 o 199.278 2.1045 398.604  5.7743  198.378 3.3474 200.178 2.5517 -1.800797      4.209077 
1 1 1 11 24 23 o 83.601  2.3542 69.735   2.7331  85.926  3.6411 81.277  2.9853 4.648972       4.708462 
1 1 1 11 24 25 o 95.738  2.1218 90.392   2.6832  99.649  3.5241 91.828  2.3641 7.821518       4.243662 
1 1 1 11 24 27 o 95.038  2.5332 89.300   2.8507  97.276  4.5291 92.801  2.2705 4.474075       5.066333 
1 1 1 11 24 29 o 34.045  4.6885 11.894   2.1892  39.854  6.4085 28.236  6.8453 11.61789       9.376908 
1 1 1 11 24 31 o 49.878  3.5772 25.049   2.3576  51.483  5.9531 48.273  3.9681 3.209396       7.154385 
1 1 1 11 24 33 o 68.171  2.4243 47.139   2.3196  67.919  3.6664 68.423  3.1728 -0.5043488     4.848616 
1 1 1 11 24 35 o 55.068  2.9418 31.335   2.2303  54.503  4.6860 55.633  3.5579 -1.129871      5.883606 
1 1 1 11 24 37 o 40.479  3.8581 17.534   2.2024  38.390  5.6549 42.568  5.2499 -4.178020      7.716126 
1 1 1 11 24 39 o 38.892  4.8654 17.367   2.5540  39.793  5.7764 37.991  7.8307 1.802662       9.730712 
1 1 1 11 24 41 o 20.788  5.3679 4.9293   2.0746  19.684  7.5731 21.893  7.6096 -2.208916      10.73579 
1 1 1 11 24 43 o 18.429  5.5503 2.7935   2.5397  16.442  7.2735 20.416  8.3856 -3.973736      11.10051 
1 1 1 11 25 0  o 95.437  2.4791 91.306   4.7249  95.437  2.4791 ?       ?      0.000000       0.000000 
1 1 1 11 25 2  f 203.342 1.9887 413.930  5.7059  203.411 2.9193 203.272 2.7014 0.1391754      3.977370 
1 1 1 11 25 4  o 144.827 1.7306 209.964  3.5434  143.900 2.4848 145.754 2.4094 -1.853989      3.461125 
1 1 1 11 25 6  o 137.692 1.8523 190.354  3.5346  135.891 2.9132 139.493 2.2887 -3.601944      3.704654 
1 1 1 11 25 8  o 58.050  2.7360 33.917   2.2329  60.364  3.5964 55.735  4.1242 4.628513       5.471989 
1 1 1 11 25 10 o 88.329  2.2119 77.604   2.6728  90.434  3.5302 86.224  2.6659 4.210060       4.423736 
1 1 1 11 25 12 o 26.933  4.6879 7.6438   1.7513  25.636  7.4988 28.230  5.6277 -2.594398      9.375710 
1 1 1 11 25 14 o 151.355 1.8355 229.334  3.9203  152.000 2.6884 150.710 2.4996 1.290253       3.670934 
1 1 1 11 25 16 o 194.683 2.0736 380.549  5.6569  191.741 3.1635 197.626 2.6816 -5.884842      4.147183 
1 1 1 11 25 18 o 113.961 2.2564 129.434  3.4114  115.578 3.7566 112.345 2.5007 3.233299       4.512852 
1 1 1 11 25 20 o 91.950  2.1657 85.301   2.7331  90.004  3.4762 93.896  2.5840 -3.892670      4.331391 
1 1 1 11 25 22 o 221.660 2.3066 496.191  6.9817  217.271 3.7322 226.049 2.7116 -8.777557      4.613287 
1 1 1 11 25 24 o 157.025 2.0905 248.516  4.4472  155.135 3.4161 158.915 2.4107 -3.779755      4.181096 
1 1 1 11 25 26 o 58.178  2.5105 34.644   1.8784  56.018  4.3313 60.338  2.5397 -4.320194      5.021003 
1 1 1 11 25 28 o 63.531  2.5494 39.417   2.1851  69.424  4.0468 57.637  3.1018 11.78651       5.098777 
1 1 1 11 25 30 o 73.490  2.1803 54.399   2.2626  75.547  3.1271 71.432  3.0391 4.115456       4.360665 
1 1 1 11 25 32 o 68.804  2.4067 48.016   2.3091  68.711  3.7170 68.898  3.0583 -0.1864395     4.813447 
1 1 1 11 25 34 o 24.847  5.6154 6.9141   2.2183  26.796  8.2492 22.899  7.6210 3.896671       11.23072 
1 1 1 11 25 36 o 76.748  2.6887 60.850   2.8768  76.588  3.4181 76.907  4.1512 -0.3186188     5.377319 
1 1 1 11 25 38 o 53.545  3.1652 30.342   2.3940  52.609  4.6120 54.480  4.3364 -1.870853      6.330430 
1 1 1 11 25 40 o 29.869  5.5226 11.238   2.3556  30.148  7.4467 29.590  8.1574 0.5587673      11.04518 
1 1 1 11 25 42 o 12.976  4.3424 -2.9681  2.1051  12.165  5.8369 13.788  6.4309 -1.622541      8.684820 
1 1 1 11 26 1  o 404.736 3.3014 1645.27  18.721  404.241 5.0229 405.232 4.2858 -0.9909668     6.602800 
1 1 1 11 26 3  o 188.059 2.0630 354.971  5.4277  185.709 3.1631 190.408 2.6491 -4.698837      4.125940 
1 1 1 11 26 5  o 166.463 2.0208 277.513  4.7549  165.797 2.8113 167.129 2.9035 -1.331543      4.041529 
1 1 1 11 26 7  o 294.853 2.9496 872.411  11.891  294.890 3.5077 294.817 4.7430 0.7254028E-01  5.899156 
1 1 1 11 26 9  o 220.761 2.2096 487.473  6.8669  224.389 3.2723 217.132 2.9700 7.257034       4.419200 
1 1 1 11 26 11 o 60.951  2.4887 37.292   2.1385  64.248  3.3790 57.653  3.6547 6.595131       4.977394 
1 1 1 11 26 13 o 76.974  2.2380 59.070   2.1899  77.679  3.8633 76.269  2.2604 1.410606       4.475970 
1 1 1 11 26 15 o 111.908 1.9981 125.223  3.1448  113.831 2.9729 109.984 2.6705 3.847206       3.996194 
1 1 1 11 26 17 o 46.828  3.7158 21.667   2.1692  48.411  6.4627 45.245  3.6692 3.166573       7.431621 
1 1 1 11 26 19 o 109.837 2.0853 121.796  3.0442  108.029 3.4872 111.646 2.2876 -3.617752      4.170577 
1 1 1 11 26 21 o 120.242 2.0312 144.366  3.2106  121.553 3.4144 118.930 2.2012 2.622917       4.062410 
1 1 1 11 26 23 o 108.085 1.7813 117.325  2.6072  107.590 2.9079 108.579 2.0582 -0.9882965     3.562632 
1 1 1 11 26 25 o 77.572  2.2837 60.787   2.4836  75.120  3.4849 80.023  2.9522 -4.903946      4.567316 
1 1 1 11 26 27 o 31.690  5.0692 10.953   2.0140  28.987  9.1070 34.394  4.4555 -5.406321      10.13848 
1 1 1 11 26 29 o 49.412  3.5056 24.794   2.3440  50.487  5.6911 48.337  4.0949 2.149864       7.011250 
1 1 1 11 26 31 o 18.396  4.8459 1.9581   1.9070  22.253  7.1192 14.540  6.5763 7.712368       9.691823 
1 1 1 11 26 33 o 24.460  5.6975 6.6789   2.2951  23.445  8.5665 25.474  7.5140 -2.028852      11.39491 
1 1 1 11 26 35 o 20.950  5.2452 4.2567   2.0993  17.482  7.3982 24.417  7.4375 -6.934578      10.49042 
1 1 1 11 26 37 o 21.313  5.4252 4.8991   2.0897  18.932  7.2382 23.693  8.0833 -4.760654      10.85045 
1 1 1 11 26 39 o 25.293  5.6700 7.9736   2.3906  20.657  7.9199 29.930  8.1161 -9.272869      11.34007 
1 1 1 11 26 41 o 19.045  5.1453 3.1799   2.2447  14.862  6.9149 23.228  7.6210 -8.365663      10.29055 
1 1 1 11 27 0  o 366.695 3.9362 1347.37  28.860  366.695 3.9362 ?       ?      0.000000       0.000000 
1 1 1 11 27 2  o 153.382 1.8545 235.608  4.0226  153.548 2.6198 153.215 2.6254 0.3330231      3.708919 
1 1 1 11 27 4  o 105.578 1.9665 111.466  2.9316  108.534 2.8238 102.623 2.7376 5.911705       3.933011 
1 1 1 11 27 6  o 250.392 2.3351 628.341  8.2685  249.820 3.2971 250.963 3.3075 -1.143204      4.670118 
1 1 1 11 27 8  o 242.591 2.4809 588.408  8.4110  246.111 3.7878 239.070 3.2049 7.041077       4.961746 
1 1 1 11 27 10 o 104.453 2.3216 109.278  3.1913  104.613 3.9062 104.294 2.5101 0.3196411      4.643188 
1 1 1 11 27 12 o 135.321 2.1509 183.466  4.0226  135.586 3.3906 135.055 2.6475 0.5311432      4.301835 
1 1 1 11 27 14 o 111.158 1.9625 123.710  3.0169  111.699 3.0868 110.618 2.4243 1.081062       3.925014 
1 1 1 11 27 16 o 91.902  2.0437 85.038   2.5618  90.715  3.3081 93.088  2.4007 -2.372612      4.087418 
1 1 1 11 27 18 o 158.200 2.2423 251.448  4.9140  157.762 3.5211 158.638 2.7772 -0.8762665     4.484532 
1 1 1 11 27 20 o 117.039 2.0684 137.542  3.4014  116.954 3.1119 117.124 2.7258 -0.1706009     4.136861 
1 1 1 11 27 22 f 49.347  2.9112 23.679   1.9454  54.629  4.5583 44.065  3.6225 10.56376       5.822462 
1 1 1 11 27 24 o 52.462  2.8807 27.642   2.1156  54.771  4.3134 50.153  3.8194 4.617805       5.761311 
1 1 1 11 27 26 o 51.740  3.1411 27.306   2.0358  51.158  5.4917 52.321  3.0509 -1.163033      6.282213 
1 1 1 11 27 28 o 53.238  2.9899 29.216   2.1654  51.011  4.8816 55.465  3.4536 -4.453838      5.979724 
1 1 1 11 27 30 o 26.249  5.9539 6.8700   2.2695  31.619  9.6329 20.878  7.0004 10.74145       11.90789 
1 1 1 11 27 32 o 18.381  5.0143 2.4661   1.9427  16.049  6.9397 20.712  7.2398 -4.663740      10.02866 
1 1 1 11 27 34 o 39.400  4.2890 16.652   2.3599  41.835  6.4103 36.966  5.7000 4.868912       8.578008 
1 1 1 11 27 36 o 20.810  5.5783 4.2123   2.1655  24.461  8.7890 17.159  6.8718 7.301851       11.15655 
1 1 1 11 27 38 o 15.664  4.9774 -0.3352  2.2827  16.364  7.3369 14.965  6.7280 1.399077       9.954751 
1 1 1 11 27 40 o 17.951  5.3127 2.4953   2.3607  15.694  7.1258 20.208  7.8817 -4.513971      10.62537 
1 1 1 11 28 1  o 54.898  5.2270 30.530   4.0543  55.950  7.1896 53.846  7.5891 2.104179       10.45390 
1 1 1 11 28 3  o 152.498 2.5694 236.017  5.3364  146.390 4.1872 158.607 2.9790 -12.21703      5.138809 
1 1 1 11 28 5  o 64.989  2.9540 42.722   2.6574  62.850  4.6732 67.127  3.6145 -4.276859      5.907926 
1 1 1 11 28 7  o 79.028  2.5298 62.901   2.7964  77.152  3.8897 80.905  3.2357 -3.752853      5.059626 
1 1 1 11 28 9  o 139.352 2.1716 194.784  4.2770  140.320 3.0032 138.384 3.1375 1.936081       4.343194 
1 1 1 11 28 11 o 229.387 2.4029 527.429  7.7563  226.343 3.2159 232.431 3.5712 -6.088501      4.805766 
1 1 1 11 28 13 o 180.715 2.2657 329.216  5.7118  176.335 3.5123 185.096 2.8632 -8.761337      4.531472 
1 1 1 11 28 15 f 116.428 2.2945 136.810  3.6891  113.988 3.6410 118.868 2.7932 -4.880234      4.588974 
1 1 1 11 28 17 o 140.118 2.1426 196.902  4.2401  135.174 3.0231 145.062 3.0371 -9.888489      4.285209 
1 1 1 11 28 19 o 129.640 1.8876 169.951  3.2865  126.715 3.1241 132.566 2.1193 -5.850960      3.775104 
1 1 1 11 28 21 o 62.235  2.7378 39.314   2.2042  61.295  4.6876 63.175  2.8300 -1.880184      5.475641 
1 1 1 11 28 23 o 104.048 1.9380 109.099  2.7383  103.253 3.1538 104.843 2.2533 -1.590073      3.876066 
1 1 1 11 28 25 o 106.494 2.0384 114.572  2.9761  105.425 3.2705 107.563 2.4338 -2.138275      4.076702 
1 1 1 11 28 27 o 51.624  3.2773 28.196   2.0870  48.298  5.8168 54.949  3.0212 -6.650501      6.554607 
1 1 1 11 28 29 o 20.532  5.9314 2.1107   2.7331  24.206  9.2517 16.858  7.4250 7.347742       11.86271 
1 1 1 11 28 31 f 15.727  5.0293 -1.2249  2.2230  16.842  7.8031 14.612  6.3472 2.230136       10.05863 
1 1 1 11 28 33 o 17.271  5.0044 1.7331   1.9500  17.009  7.4099 17.533  6.7283 -0.5238991     10.00883 
1 1 1 11 28 35 o 18.358  5.3521 2.3442   2.1691  20.907  8.3366 15.809  6.7142 5.098062       10.70417 
1 1 1 11 28 37 o 18.865  5.2796 2.8892   2.2543  16.498  7.4538 21.231  7.4790 -4.733583      10.55911 
1 1 1 11 28 39 o 21.347  5.4423 5.8859   2.0587  22.323  8.2377 20.371  7.1145 1.952259       10.88469 
1 1 1 11 29 0  o 62.792  4.3120 40.098   5.3634  62.792  4.3120 ?       ?      0.000000       0.000000 
1 1 1 11 29 2  o 114.816 2.2212 131.996  3.6005  119.027 3.1650 110.606 3.1173 8.420517       4.442369 
1 1 1 11 29 4  o 111.020 2.2182 123.502  3.4655  112.233 3.2997 109.807 2.9655 2.425995       4.436458 
1 1 1 11 29 6  o 44.482  3.7247 20.033   2.3196  43.663  5.7032 45.301  4.7923 -1.637962      7.449317 
1 1 1 11 29 8  o 25.814  5.9927 6.3551   2.5761  22.167  8.2261 29.462  8.7165 -7.295351      11.98530 
1 1 1 11 29 10 o 50.997  3.3199 26.162   2.3837  52.157  4.8968 49.836  4.4842 2.321007       6.639770 
1 1 1 11 29 12 o 68.826  3.0846 47.657   2.8918  69.201  4.9825 68.451  3.6379 0.7503281      6.169202 
1 1 1 11 29 14 o 74.018  2.7740 55.998   2.8123  69.696  4.4890 78.340  3.2602 -8.644142      5.547976 
1 1 1 11 29 16 o 103.679 2.3559 108.786  3.3918  100.063 3.7010 107.294 2.9160 -7.230743      4.711711 
1 1 1 11 29 18 o 65.829  2.7005 43.723   2.4492  65.474  4.2909 66.185  3.2801 -0.7113037     5.401008 
1 1 1 11 29 20 o 75.197  2.6757 57.408   2.6714  74.158  4.4772 76.236  2.9314 -2.078018      5.351483 
1 1 1 11 29 22 o 85.884  2.3991 75.122   2.8506  82.246  3.8041 89.523  2.9242 -7.277527      4.798132 
1 1 1 11 29 24 o 71.319  2.9536 52.048   2.7016  70.264  5.0888 72.373  2.9996 -2.109367      5.907112 
1 1 1 11 29 26 o 43.794  4.6429 21.129   2.2275  40.686  8.5848 46.902  3.5395 -6.216740      9.285823 
1 1 1 11 29 28 o 24.989  5.8239 6.6855   2.4398  22.652  9.4596 27.325  6.7962 -4.673302      11.64790 
1 1 1 11 29 30 o 25.819  6.2820 7.2261   2.5100  30.210  10.171 21.428  7.3756 8.781958       12.56403 
1 1 1 11 29 32 o 24.895  6.0612 7.0516   2.3126  27.282  9.9264 22.508  6.9584 4.774141       12.12238 
1 1 1 11 29 34 o 30.973  4.9453 11.624   2.1913  25.052  8.1948 36.894  5.5380 -11.84256      9.890652 
1 1 1 11 29 36 o 15.808  4.9869 -0.7302  2.1907  19.814  8.2280 11.802  5.6370 8.011397       9.973774 
1 1 1 11 29 38 o 16.069  5.0356 1.0776   2.1377  17.024  7.7882 15.114  6.3852 1.909689       10.07114 
1 1 1 11 30 1  o 41.908  3.5567 17.671   2.0993  44.702  4.9992 39.115  5.0604 5.587345       7.113363 
1 1 1 11 30 3  o 98.521  2.2015 97.430   3.0595  98.570  3.2388 98.472  2.9827 0.9827423E-01  4.403002 
1 1 1 11 30 5  f 52.738  3.0856 28.020   2.2968  50.207  4.4511 55.270  4.2744 -5.062134      6.171132 
1 1 1 11 30 7  o 37.726  5.0234 14.834   2.5193  37.066  8.3037 38.386  5.6555 -1.319889      10.04671 
1 1 1 11 30 9  o 24.777  5.8369 5.9952   2.4196  23.488  8.4732 26.065  8.0301 -2.577061      11.67380 
1 1 1 11 30 11 o 66.190  2.7452 43.200   2.4247  69.608  4.4947 62.773  3.1532 6.834740       5.490486 
1 1 1 11 30 13 o 85.833  2.5105 73.737   2.9761  87.439  3.9432 84.227  3.1081 3.212357       5.020909 
1 1 1 11 30 15 o 54.337  3.2327 29.583   2.3650  55.629  5.2798 53.044  3.7315 2.585079       6.465337 
1 1 1 11 30 17 o 110.536 2.4287 122.354  3.6590  112.892 3.9026 108.181 2.8921 4.710503       4.857377 
1 1 1 11 30 19 o 20.756  5.8473 2.6724   2.3547  22.398  9.3172 19.115  7.0677 3.283314       11.69458 
1 1 1 11 30 21 o 44.845  3.8841 20.231   2.2583  46.720  6.5600 42.970  4.1606 3.749290       7.768137 
1 1 1 11 30 23 o 49.518  3.3886 24.650   2.2520  52.194  5.5049 46.841  3.9531 5.353268       6.777248 
1 1 1 11 30 25 o 20.688  5.2797 3.9320   1.8475  23.550  8.3793 17.826  6.4256 5.724123       10.55944 
1 1 1 11 30 27 o 26.825  5.5795 8.2626   2.2227  25.408  9.0943 28.242  6.4665 -2.834681      11.15892 
1 1 1 11 30 29 o 20.086  5.7214 3.2056   2.4099  21.674  8.7545 18.499  7.3686 3.174711       11.44284 
1 1 1 11 30 31 o 31.450  5.1150 11.285   2.0870  33.801  8.3497 29.100  5.9107 4.701763       10.23002 
1 1 1 11 30 33 o 19.625  5.6307 2.5540   2.5540  18.243  8.5221 21.007  7.3616 -2.764227      11.26142 
1 1 1 11 30 35 o 38.876  4.8785 18.261   2.6116  38.190  7.4551 39.561  6.2946 -1.370255      9.757033 
1 1 1 11 30 37 o 44.666  4.0744 23.620   2.4312  42.157  6.8157 47.174  4.4665 -5.017628      8.148839 
1 1 1 11 31 0  o 241.470 4.8698 587.041  23.497  241.470 4.8698 ?       ?      0.000000       0.000000 
1 1 1 11 31 2  o 203.417 2.9620 416.237  8.4971  197.908 4.0651 208.925 4.3092 -11.01697      5.923997 
1 1 1 11 31 4  o 38.204  6.2409 15.490   3.0964  36.639  10.889 39.768  6.1011 -3.129436      12.48178 
1 1 1 11 31 6  o 87.685  2.4529 77.420   3.0245  86.603  3.6864 88.766  3.2369 -2.162636      4.905802 
1 1 1 11 31 8  o 88.507  2.7284 78.740   3.4085  86.371  3.7702 90.643  3.9447 -4.271729      5.456702 
1 1 1 11 31 10 o 53.239  3.5962 28.441   2.5844  54.550  5.8525 51.928  4.1806 2.621613       7.192328 
1 1 1 11 31 12 o 68.274  2.7871 47.000   2.5633  68.394  4.5745 68.154  3.1853 0.2396698      5.574262 
1 1 1 11 31 14 o 92.882  2.2263 87.611   2.8222  90.183  3.6109 95.582  2.6053 -5.399376      4.452609 
1 1 1 11 31 16 o 63.314  3.0250 41.003   2.5848  61.516  4.9821 65.112  3.4322 -3.595383      6.049927 
1 1 1 11 31 18 o 40.905  4.8996 18.499   2.3609  37.108  8.8808 44.702  4.1422 -7.594414      9.799294 
1 1 1 11 31 20 o 25.642  5.9377 6.7436   2.3264  28.051  9.4305 23.233  7.2174 4.818079       11.87543 
1 1 1 11 31 22 o 59.308  3.6634 35.481   2.8229  62.118  6.1673 56.497  3.9555 5.621319       7.326798 
1 1 1 11 31 24 o 24.550  5.5495 6.4931   2.2921  21.479  8.9520 27.621  6.5613 -6.142281      11.09906 
1 1 1 11 31 26 o 22.377  5.8888 4.6134   2.3762  27.276  9.4226 17.479  7.0659 9.796917       11.77757 
1 1 1 11 31 28 o 24.707  5.9380 6.8107   2.2986  25.367  9.7074 24.048  6.8415 1.318485       11.87600 
1 1 1 11 31 30 o 20.571  5.7517 3.6047   2.4732  24.345  8.9669 16.797  7.2059 7.548479       11.50347 
1 1 1 11 31 32 o 39.837  5.5686 19.136   2.7714  39.600  9.7309 40.073  5.4173 -0.4736824     11.13724 
1 1 1 11 31 34 o 32.023  5.4850 14.070   2.4463  26.312  9.7248 37.735  5.0762 -11.42355      10.96996 
1 1 1 11 31 36 o 18.759  5.6112 3.4105   2.6039  21.698  8.6412 15.820  7.1603 5.877134       11.22231 
1 1 1 11 32 1  o 235.228 2.2466 555.066  7.4356  231.186 3.0104 239.270 3.3357 -8.083496      4.493280 
1 1 1 11 32 3  o 108.596 2.1210 118.441  3.2514  107.852 2.9009 109.339 3.0950 -1.487534      4.241976 
1 1 1 11 32 5  o 72.657  2.7314 53.364   2.7331  71.964  4.3476 73.350  3.3078 -1.386497      5.462887 
1 1 1 11 32 7  o 92.606  2.3542 86.206   3.0169  93.315  3.6949 91.896  2.9182 1.419342       4.708323 
1 1 1 11 32 9  o 54.852  3.6300 30.712   2.8094  57.006  4.9283 52.699  5.3311 4.306965       7.260086 
1 1 1 11 32 11 o 77.658  2.4477 60.913   2.6756  76.762  3.6599 78.554  3.2513 -1.791946      4.895493 
1 1 1 11 32 13 o 27.137  5.5293 7.5360   2.4578  33.789  7.5603 20.486  8.0707 13.30320       11.05863 
1 1 1 11 32 15 o 53.791  3.2620 29.874   2.3843  51.457  5.3356 56.125  3.7542 -4.667770      6.524069 
1 1 1 11 32 17 o 55.539  3.2706 31.699   2.5476  53.806  4.9840 57.272  4.2365 -3.465134      6.541286 
1 1 1 11 32 19 o 42.164  4.9216 19.964   2.5109  37.481  8.8242 46.846  4.3615 -9.365669      9.843270 
1 1 1 11 32 21 o 41.625  4.3166 18.513   2.5120  40.307  6.6533 42.943  5.5013 -2.636806      8.633142 
1 1 1 11 32 23 o 48.240  3.8479 22.479   2.0368  53.026  6.9839 43.453  3.2327 9.572906       7.695811 
1 1 1 11 32 25 o 53.668  3.5005 30.292   2.4437  53.636  5.9521 53.699  3.6861 -0.6221390E-01 7.001080 
1 1 1 11 32 27 o 57.088  3.2621 34.942   2.4758  54.825  5.4737 59.350  3.5502 -4.524708      6.524216 
1 1 1 11 32 29 o 21.422  5.9133 4.4695   2.6338  20.336  8.9449 22.509  7.7368 -2.173851      11.82661 
1 1 1 11 32 31 o 38.046  5.9020 17.477   2.7805  41.236  9.9989 34.857  6.2735 6.378860       11.80403 
1 1 1 11 32 33 o 38.669  4.9977 18.431   2.2135  36.340  9.1385 40.998  4.0492 -4.657990      9.995425 
1 1 1 11 33 0  o 30.332  9.1863 11.621   4.8526  30.332  9.1863 ?       ?      0.000000       0.000000 
1 1 1 11 33 2  o 98.996  2.3723 98.671   3.3092  100.432 3.4967 97.560  3.2069 2.871819       4.744601 
1 1 1 11 33 4  f 91.870  2.2366 84.908   2.8964  93.223  3.2876 90.518  3.0332 2.704971       4.473124 
1 1 1 11 33 6  o 66.945  3.1409 45.549   2.9687  65.265  4.5981 68.625  4.2799 -3.360039      6.281752 
1 1 1 11 33 8  o 22.410  5.6501 4.6800   2.2626  21.995  8.1262 22.826  7.8524 -0.8306942     11.30024 
1 1 1 11 33 10 o 30.642  6.1333 9.8642   2.8037  37.068  9.0282 24.215  8.3043 12.85351       12.26661 
1 1 1 11 33 12 o 41.544  5.0719 18.611   2.7807  39.576  8.4737 43.512  5.5762 -3.936058      10.14380 
1 1 1 11 33 14 o 45.630  4.3071 21.263   2.6714  48.462  6.8512 42.797  5.2218 5.664639       8.614279 
1 1 1 11 33 16 o 59.235  3.6139 36.134   2.9344  59.700  5.7754 58.770  4.3458 0.9301682      7.227784 
1 1 1 11 33 18 o 76.396  2.4030 59.603   2.5761  75.302  3.6461 77.490  3.1311 -2.188248      4.806016 
1 1 1 11 33 20 o 61.244  3.6458 39.206   2.9516  61.764  6.0993 60.725  3.9956 1.038925       7.291561 
1 1 1 11 33 22 o 18.708  5.5327 2.0943   2.0841  22.126  9.1176 15.290  6.2699 6.835292       11.06540 
1 1 1 11 33 24 o 28.074  6.3998 9.5422   2.7714  27.912  10.341 28.236  7.5428 -0.3234100     12.79962 
1 1 1 11 33 26 o 18.463  5.2638 -1.2770  2.7243  14.622  7.2630 22.305  7.6210 -7.683359      10.52761 
1 1 1 11 33 28 o 37.796  6.2989 18.052   3.0439  38.729  10.698 36.864  6.6519 1.865017       12.59783 
1 1 1 11 33 30 o 36.437  5.3047 15.355   2.2802  39.185  9.3954 33.688  4.9279 5.496998       10.60932 
1 1 1 11 33 32 o 19.004  5.7979 3.5626   2.4829  21.479  9.3570 16.529  6.8488 4.950069       11.59571 
1 1 1 11 34 1  o 83.822  2.2893 70.883   2.7103  86.877  3.2338 80.766  3.2413 6.110260       4.578583 
1 1 1 11 34 3  o 44.893  4.6737 21.963   2.7218  39.094  7.9525 50.693  4.9123 -11.59829      9.347383 
1 1 1 11 34 5  o 31.806  5.3898 11.223   2.4578  26.327  8.4000 37.286  6.7558 -10.95888      10.77964 
1 1 1 11 34 7  o 49.056  3.9934 25.252   2.5109  47.139  6.9080 50.973  4.0085 -3.833229      7.986714 
1 1 1 11 34 9  o 57.100  3.4669 33.581   2.7478  56.434  5.4309 57.767  4.3107 -1.333561      6.933710 
1 1 1 11 34 11 o 49.776  3.7527 26.217   2.5285  45.379  6.1910 54.174  4.2431 -8.794506      7.505473 
1 1 1 11 34 13 o 23.292  5.6089 5.4187   2.2779  21.334  8.5849 25.249  7.2207 -3.914604      11.21782 
1 1 1 11 34 15 o 26.761  6.0091 8.1792   2.5285  27.589  8.9343 25.934  8.0384 1.654541       12.01817 
1 1 1 11 34 17 o 43.527  4.9311 22.345   2.5844  36.066  8.8957 50.988  4.2577 -14.92161      9.862116 
1 1 1 11 34 19 o 44.676  4.2907 21.423   2.4294  44.660  7.4344 44.691  4.2861 -0.3117371E-01 8.581450 
1 1 1 11 34 21 o 29.334  6.2284 10.017   2.5397  31.021  10.348 27.648  6.9343 3.372616       12.45672 
1 1 1 11 34 23 o 22.977  5.8656 5.2913   2.6651  20.057  9.0419 25.897  7.4743 -5.839331      11.73121 
1 1 1 11 34 25 o 18.067  5.6132 0.8301   2.4628  22.388  9.3154 13.746  6.2654 8.641506       11.22633 
1 1 1 11 34 27 o 16.326  5.2144 0.0031   2.2675  17.811  8.2864 14.842  6.3320 2.969168       10.42871 
1 1 1 11 34 29 o 19.988  5.6595 4.2993   2.1283  24.128  9.3137 15.847  6.4322 8.280388       11.31894 
1 1 1 11 34 31 o 18.817  5.6608 3.5798   2.4249  19.484  8.9852 18.151  6.8879 1.333319       11.32157 
1 1 1 11 35 0  o 128.767 3.0285 167.033  7.7898  128.767 3.0285 ?       ?      0.000000       0.000000 
1 1 1 11 35 2  o 97.490  2.3403 96.367   3.2216  97.824  3.1983 97.155  3.4174 0.6689911      4.680571 
1 1 1 11 35 4  o 29.037  6.2249 9.4411   2.7742  29.392  8.9625 28.682  8.6412 0.7094898      12.44975 
1 1 1 11 35 6  o 33.834  5.5223 12.820   2.6163  29.378  8.3175 38.290  7.2667 -8.912426      11.04467 
1 1 1 11 35 8  o 73.274  2.8163 55.095   2.9048  69.770  4.2097 76.778  3.7423 -7.007851      5.632610 
1 1 1 11 35 10 o 34.060  5.5844 13.379   2.6682  30.273  9.2615 37.846  6.2423 -7.573429      11.16875 
1 1 1 11 35 12 o 25.902  6.0725 7.5659   2.6832  23.362  9.0275 28.442  8.1243 -5.080042      12.14498 
1 1 1 11 35 14 o 18.440  5.3514 1.4881   2.3429  16.783  7.6054 20.096  7.5306 -3.312376      10.70290 
1 1 1 11 35 16 f 22.543  6.0094 5.0825   2.6051  21.995  9.0962 23.091  7.8556 -1.095179      12.01881 
1 1 1 11 35 18 f 34.663  5.5860 14.094   2.6437  35.773  8.5026 33.552  7.2469 2.221077       11.17190 
1 1 1 11 35 20 o 20.365  5.8186 2.8754   2.7807  18.034  8.2059 22.697  8.2516 -4.663790      11.63727 
1 1 1 11 35 22 o 23.325  6.0033 5.6033   2.3936  29.597  9.8079 17.053  6.9257 12.54391       12.00666 
1 1 1 11 35 24 o 19.956  5.4214 3.1787   2.4094  17.246  8.0674 22.667  7.2446 -5.420639      10.84280 
1 1 1 11 35 26 o 20.383  5.9485 3.4920   2.5100  26.547  10.027 14.218  6.4025 12.32902       11.89704 
1 1 1 11 35 28 o 16.300  5.3382 0.0172   2.5798  18.417  8.5161 14.184  6.4391 4.233017       10.67641 
1 1 1 11 36 1  o 83.737  2.5341 71.836   2.9996  85.370  3.5901 82.104  3.5773 3.266144       5.068123 
1 1 1 11 36 3  o 49.654  4.2819 26.418   2.9887  49.625  5.6613 49.684  6.4257 -0.5894852E-01 8.563873 
1 1 1 11 36 5  o 18.164  5.4152 1.2617   2.3940  16.989  7.4054 19.339  7.9030 -2.350262      10.83041 
1 1 1 11 36 7  o 23.005  5.2845 5.1640   2.2951  17.655  7.7446 28.354  7.1921 -10.69934      10.56909 
1 1 1 11 36 9  o 74.017  3.0566 56.738   3.1606  75.195  4.6702 72.839  3.9447 2.356354       6.113215 
1 1 1 11 36 11 o 85.785  2.6338 75.982   3.1925  83.701  3.8142 87.869  3.6333 -4.168098      5.267694 
1 1 1 11 36 13 o 52.603  3.7172 29.477   2.7218  51.870  5.7855 53.337  4.6688 -1.466255      7.434370 
1 1 1 11 36 15 o 32.721  5.6188 12.661   2.5383  35.950  8.3269 29.492  7.5462 6.458008       11.23750 
1 1 1 11 36 17 o 36.000  5.7006 15.860   2.7583  32.670  9.7892 39.330  5.8445 -6.659374      11.40117 
1 1 1 11 36 19 o 21.417  5.7736 3.8310   2.4973  27.572  9.3338 15.263  6.7985 12.30877       11.54728 
1 1 1 11 36 21 o 23.465  6.4600 6.5901   3.0184  23.742  9.8453 23.187  8.3664 0.5548687      12.92003 
1 1 1 11 36 23 o 23.267  5.7008 6.4106   2.4135  20.610  9.2795 25.924  6.6247 -5.313839      11.40161 
1 1 1 11 36 25 o 19.745  5.7935 4.0262   2.6172  19.571  8.8184 19.918  7.5162 -0.3465290     11.58693 
1 1 1 11 36 27 o 17.528  5.5114 2.0659   2.5952  18.207  8.4842 16.848  7.0371 1.359587       11.02286 
1 1 1 11 37 0  o 92.838  3.4492 87.731   6.3850  92.838  3.4492 ?       ?      0.000000       0.000000 
1 1 1 11 37 2  o 83.725  2.7242 72.523   3.2216  83.867  3.9589 83.582  3.7432 0.2849045      5.448370 
1 1 1 11 37 4  o 32.258  6.4773 12.752   3.0411  34.428  9.7549 30.087  8.5243 4.340944       12.95464 
1 1 1 11 37 6  o 24.114  6.2668 6.1161   2.8366  22.862  9.5916 25.366  8.0681 -2.504383      12.53366 
1 1 1 11 37 8  o 20.507  6.1179 2.5029   2.9116  21.992  9.3787 19.023  7.8585 2.968481       12.23586 
1 1 1 11 37 10 o 31.534  6.2896 11.923   2.7372  34.494  10.097 28.573  7.5020 5.921570       12.57921 
1 1 1 11 37 12 o 46.668  4.4745 23.589   2.8698  52.980  6.6286 40.357  6.0122 12.62283       8.948970 
1 1 1 11 37 14 o 25.192  6.6614 7.5088   3.0648  27.279  10.293 23.105  8.4595 4.174183       13.32285 
1 1 1 11 37 16 o 28.738  5.8845 10.356   2.4294  28.020  9.7041 29.456  6.6587 -1.436668      11.76892 
1 1 1 11 37 18 o 14.372  4.9053 -6.0530  2.9116  14.985  7.3225 13.759  6.5292 1.226355       9.810699 
1 1 1 11 37 20 o 27.061  5.9540 9.0893   2.6291  34.794  9.0800 19.329  7.7041 15.46444       11.90801 
1 1 1 11 37 22 o 26.613  6.2899 10.158   2.6919  27.580  9.7727 25.646  7.9213 1.934143       12.57984 
1 1 1 11 37 24 o 25.473  6.4939 10.270   3.0184  24.222  9.9198 26.725  8.3834 -2.503017      12.98783 
1 1 1 11 38 1  o 96.741  2.6002 97.486   3.5365  94.524  3.9179 98.957  3.4197 -4.433258      5.200399 
1 1 1 11 38 3  o 69.049  3.2358 50.508   3.1525  67.459  4.4486 70.638  4.7003 -3.178749      6.471681 
1 1 1 11 38 5  o 24.617  5.7698 7.1870   2.3906  27.778  8.3184 21.456  7.9979 6.321716       11.53962 
1 1 1 11 38 7  o 21.733  5.9894 4.7797   2.6680  21.153  8.6149 22.313  8.3230 -1.159365      11.97872 
1 1 1 11 38 9  o 17.688  5.5766 0.0958   2.7572  19.170  8.4710 16.207  7.2550 2.963654       11.15315 
1 1 1 11 38 11 o 49.346  4.0687 26.781   2.8238  52.685  5.8173 46.007  5.6901 6.677673       8.137454 
1 1 1 11 38 13 o 57.421  3.6598 36.249   2.8459  55.246  6.0099 59.596  4.1784 -4.350204      7.319658 
1 1 1 11 38 15 o 71.098  3.6371 55.769   3.5027  68.446  5.9703 73.750  4.1557 -5.304123      7.274237 
1 1 1 11 38 17 f 49.728  5.2632 29.822   3.1819  49.257  9.2842 50.198  4.9607 -0.9408073     10.52639 
1 1 1 11 38 19 o 39.049  6.0067 21.110   2.9940  34.034  10.751 44.063  5.3615 -10.02904      12.01335 
1 1 1 11 38 21 o 28.962  5.9639 12.665   2.7372  24.464  9.8515 33.460  6.7247 -8.995834      11.92785 
1 1 1 11 39 0  o 51.779  5.6678 29.116   5.7465  51.779  5.6678 ?       ?      0.000000       0.000000 
1 1 1 11 39 2  o 39.830  5.3051 19.168   2.7606  36.838  9.0631 42.822  5.5170 -5.983818      10.61022 
1 1 1 11 39 4  o 28.492  6.1763 10.546   2.6921  28.496  9.4305 28.488  7.9783 0.8445740E-02  12.35268 
1 1 1 11 39 6  o 19.764  6.1686 1.2209   3.3918  22.735  9.5674 16.794  7.7892 5.941126       12.33724 
1 1 1 11 39 8  o 23.989  6.5153 6.0121   3.5598  19.248  8.8909 28.731  9.5263 -9.483124      13.03063 
1 1 1 11 39 10 o 17.991  5.6073 0.9336   2.7825  17.887  8.2194 18.095  7.6295 -0.2084827     11.21465 
1 1 1 11 39 12 o 19.930  6.0373 3.2143   2.8909  22.832  9.4924 17.027  7.4627 5.804638       12.07463 
1 1 1 11 39 14 o 19.390  5.8963 3.1074   2.9996  18.440  8.4315 20.339  8.2446 -1.898773      11.79254 
1 1 1 11 39 16 o 33.098  5.5147 14.705   2.5285  30.981  8.7081 35.215  6.7690 -4.233896      11.02950 
1 1 1 11 39 18 o 25.724  5.9013 9.6788   3.0359  19.728  9.2115 31.719  7.3791 -11.99150      11.80270 
1 1 1 11 40 1  o 59.451  3.4177 38.576   2.8676  60.227  4.9828 58.676  4.6792 1.551308       6.835441 
1 1 1 11 40 3  o 54.455  4.2651 34.051   3.2251  53.500  6.6834 55.410  5.3007 -1.910023      8.530203 
1 1 1 11 40 5  o 24.969  6.5605 8.8583   3.1235  23.670  9.3420 26.268  9.2134 -2.598045      13.12099 
1 1 1 11 40 7  o 21.870  6.2320 6.1420   2.9660  21.538  8.8553 22.201  8.7711 -0.6627083     12.46395 
1 1 1 11 40 9  o 16.335  5.3091 -1.8381  2.9792  14.378  7.0068 18.292  7.9782 -3.913660      10.61825 
1 1 1 11 40 11 o 23.252  6.2208 7.5724   2.9521  20.817  8.9654 25.686  8.6264 -4.869295      12.44161 
1 1 1 11 40 13 o 20.007  6.1418 4.3899   3.1862  22.127  9.3606 17.887  7.9539 4.240562       12.28359 
1 1 1 11 40 15 o 19.430  5.9557 2.4521   3.4304  15.908  7.7309 22.952  9.0617 -7.044055      11.91143 
1 1 1 11 41 0  o 79.361  4.5365 66.915   7.1512  79.361  4.5365 ?       ?      0.000000       0.000000 
1 1 1 11 41 2  o 51.585  4.7943 32.705   3.4139  52.494  7.5414 50.676  5.9219 1.817856       9.588584 
1 1 1 11 41 4  o 25.357  6.6170 10.085   3.1810  28.582  9.8068 22.131  8.8864 6.451294       13.23404 
1 1 1 11 41 6  o 32.831  5.6560 15.945   2.9110  23.998  9.5070 41.664  6.1300 -17.66603      11.31194 
1 1 1 11 41 8  o 28.794  6.6667 13.472   3.1287  28.398  9.4305 29.189  9.4258 -0.7912998     13.33345 
1 1 1 12 1  1  o 322.336 2.2623 1038.88  10.304  324.642 3.2649 320.031 3.1324 4.611420       4.524502 
1 1 1 12 1  3  o 359.197 2.3943 1289.76  12.153  363.896 3.4391 354.497 3.3321 9.398773       4.788569 
1 1 1 12 1  5  o 450.037 2.9842 2024.07  18.972  442.451 4.1417 457.623 4.2974 -15.17194      5.968380 
1 1 1 12 1  7  o 256.009 1.9402 655.294  7.0183  257.405 2.8030 254.613 2.6833 2.792023       3.880324 
1 1 1 12 1  9  o 622.019 3.8361 3870.18  33.741  623.890 5.4651 620.148 5.3848 3.742310       7.672246 
1 1 1 12 1  11 o 237.162 1.7435 560.441  5.7919  242.464 2.6334 231.860 2.2857 10.60451       3.486998 
1 1 1 12 1  13 f 243.972 1.9630 595.570  6.7657  246.459 2.6943 241.486 2.8556 4.973373       3.926051 
1 1 1 12 1  15 o 458.022 3.0831 2093.21  19.631  452.774 3.8922 463.270 4.7825 -10.49628      6.166179 
1 1 1 12 1  17 o 192.678 1.6820 371.973  4.5472  195.231 2.1912 190.125 2.5523 5.105988       3.363922 
1 1 1 12 1  19 o 136.978 1.5438 187.709  2.9275  137.143 1.9089 136.813 2.4268 0.3307648      3.087599 
1 1 1 12 1  21 o 138.033 2.0514 190.755  3.9700  137.220 3.1176 138.845 2.6672 -1.624924      4.102876 
1 1 1 12 1  23 o 644.860 3.9745 4172.21  35.579  650.234 4.9491 639.485 6.2204 10.74908       7.949048 
1 1 1 12 1  25 o 240.787 2.0940 577.983  6.5637  238.935 2.2180 242.640 3.5525 -3.704453      4.188068 
1 1 1 12 1  27 o 146.096 1.6065 211.853  3.1764  142.786 1.8781 149.406 2.6069 -6.619995      3.213008 
1 1 1 12 1  29 o 144.626 1.7458 209.831  3.2162  145.354 1.7571 143.898 3.0173 1.456055       3.491626 
1 1 1 12 1  31 o 204.796 2.0806 421.059  5.4062  205.942 2.0773 203.650 3.6056 2.291901       4.161184 
1 1 1 12 1  33 o 49.178  2.5368 23.714   1.4746  47.656  2.2777 50.701  4.5337 -3.045292      5.073655 
1 1 1 12 1  35 o 46.955  2.3638 22.435   1.5085  49.348  2.7171 44.562  3.8687 4.786190       4.727544 
1 1 1 12 1  37 o 50.263  2.4823 25.366   1.7414  50.468  3.1629 50.057  3.8267 0.4115982      4.964622 
1 1 1 12 1  39 o 80.747  1.8704 65.518   2.0587  81.333  2.1981 80.160  3.0268 1.172829       3.740795 
1 1 1 12 1  41 o 67.802  2.0766 46.429   1.8841  68.931  2.3157 66.672  3.4476 2.258949       4.153172 
1 1 1 12 1  43 o 72.125  2.2155 53.619   2.0013  75.343  2.1187 68.908  3.8918 6.435524       4.431089 
1 1 1 12 1  45 o 38.046  4.3508 16.201   2.0374  43.523  3.9610 32.570  7.7478 10.95357       8.701660 
1 1 1 12 1  47 o 47.618  3.6704 23.751   2.2407  47.684  3.7493 47.551  6.3110 0.1328430      7.340741 
1 1 1 12 1  49 o 18.065  5.4213 1.5069   2.2986  16.375  6.8855 19.755  8.3757 -3.379923      10.84262 
1 1 1 12 1  51 o 30.705  4.6929 11.110   1.9608  31.160  5.9506 30.251  7.2583 0.9084377      9.385752 
1 1 1 12 1  53 o 18.336  4.9538 3.2067   1.9865  21.455  7.1288 15.218  6.8806 6.236530       9.907698 
1 1 1 12 2  0  o 140.372 2.0023 197.170  5.6188  140.372 2.0023 ?       ?      0.000000       0.000000 
1 1 1 12 2  2  f 870.123 5.1654 7577.92  63.548  875.440 7.3738 864.806 7.2355 10.63391       10.33080 
1 1 1 12 2  4  o 156.169 1.4049 243.734  3.0806  156.945 2.1155 155.393 1.8490 1.552170       2.809705 
1 1 1 12 2  6  o 525.834 3.4995 2761.91  25.940  533.869 5.1428 517.799 4.7475 16.06995       6.999050 
1 1 1 12 2  8  o 478.321 3.1340 2288.53  21.198  475.331 4.4597 481.311 4.4043 -5.980286      6.267912 
1 1 1 12 2  10 o 243.356 2.5779 588.293  8.4775  248.046 4.1958 238.666 2.9963 9.379608       5.155890 
1 1 1 12 2  12 o 286.033 2.0300 815.666  8.0452  282.253 2.5336 289.814 3.1725 -7.560669      4.060090 
1 1 1 12 2  14 o 390.995 4.6681 1539.04  23.361  395.766 4.7271 386.224 8.0511 9.541656       9.336219 
1 1 1 12 2  16 o 616.132 3.7611 3806.09  32.287  622.818 4.7466 609.445 5.8356 13.37280       7.522260 
1 1 1 12 2  18 o 174.189 3.0042 310.294  6.7831  182.579 3.0775 165.799 5.1604 16.77994       6.008400 
1 1 1 12 2  20 o 201.858 1.6207 405.315  4.4899  198.020 1.9669 205.696 2.5764 -7.675735      3.241403 
1 1 1 12 2  22 o 353.195 2.3973 1251.10  11.739  357.019 2.9688 349.372 3.7648 7.646820       4.794538 
1 1 1 12 2  24 o 438.827 3.0518 1924.69  18.765  434.623 3.9813 443.030 4.6263 -8.407379      6.103547 
1 1 1 12 2  26 o 140.279 1.4811 196.883  2.9357  140.804 2.0406 139.755 2.1473 1.048904       2.962275 
1 1 1 12 2  28 o 222.861 1.9514 496.531  6.0758  221.574 2.5071 224.149 2.9910 -2.574905      3.902747 
1 1 1 12 2  30 o 30.102  3.6989 10.412   1.2829  36.075  2.8319 24.128  6.8342 11.94723       7.397726 
1 1 1 12 2  32 o 83.377  1.7071 68.392   1.8475  80.445  1.8255 86.308  2.8852 -5.863014      3.414233 
1 1 1 12 2  34 o 83.299  1.7004 69.375   1.8297  83.092  1.7674 83.506  2.9056 -0.4144745     3.400870 
1 1 1 12 2  36 o 75.604  1.6928 56.603   1.7057  73.554  1.9098 77.654  2.7956 -4.099129      3.385671 
1 1 1 12 2  38 o 63.939  1.9361 40.921   1.6648  63.670  2.2062 64.208  3.1822 -0.5381126     3.872161 
1 1 1 12 2  40 o 70.812  1.8746 49.500   1.7438  68.297  2.0568 73.327  3.1348 -5.029358      3.749256 
1 1 1 12 2  42 o 40.328  3.1506 16.731   1.7553  44.849  3.8439 35.807  4.9929 9.042435       6.301188 
1 1 1 12 2  44 o 34.663  3.9660 12.319   1.8815  31.081  5.5404 38.244  5.6764 -7.163986      7.932066 
1 1 1 12 2  46 o 20.581  4.9325 3.0795   1.9050  13.672  6.0663 27.491  7.7793 -13.81951      9.864949 
1 1 1 12 2  48 o 31.515  4.6840 11.014   1.9714  31.583  5.2564 31.447  7.7543 0.1358166      9.367978 
1 1 1 12 2  50 o 42.337  4.7300 20.689   2.1096  45.447  3.3719 39.227  8.8387 6.219753       9.460027 
1 1 1 12 2  52 o 15.048  4.6333 0.6990   1.7251  13.194  5.7304 16.901  7.2823 -3.706791      9.266542 
1 1 1 12 2  54 o 27.335  4.5412 9.7801   1.8318  33.297  4.9858 21.373  7.5916 11.92375       9.082443 
1 1 1 12 3  1  o 360.097 2.4705 1296.85  12.570  359.310 3.4119 360.884 3.5739 -1.574036      4.941062 
1 1 1 12 3  3  o 719.728 4.3802 5181.81  44.510  722.892 6.3860 716.564 5.9969 6.328491       8.760329 
1 1 1 12 3  5  o 676.581 4.1638 4578.61  39.830  669.467 5.8465 683.696 5.9303 -14.22937      8.327640 
1 1 1 12 3  7  f 106.267 1.2320 112.848  1.8495  107.679 1.7789 104.855 1.7050 2.823723       2.464067 
1 1 1 12 3  9  o 707.212 4.4710 4989.55  42.965  701.130 5.2455 713.294 7.2418 -12.16351      8.941953 
1 1 1 12 3  11 f 334.010 2.4339 1116.82  11.123  335.077 2.8964 332.942 3.9122 2.134796       4.867741 
1 1 1 12 3  13 o 294.920 2.1804 871.577  8.9526  297.792 2.7445 292.048 3.3888 5.743713       4.360723 
1 1 1 12 3  15 o 296.763 2.7468 886.148  11.081  302.356 3.1888 291.169 4.4735 11.18701       5.493683 
1 1 1 12 3  17 o 153.437 2.0894 235.398  4.5298  152.481 2.8893 154.393 3.0190 -1.912689      4.178809 
1 1 1 12 3  19 o 344.446 2.3471 1183.02  11.061  340.757 2.8107 348.135 3.7598 -7.378571      4.694285 
1 1 1 12 3  21 o 150.483 1.4872 227.402  3.0818  152.819 1.7966 148.146 2.3705 4.673248       2.974393 
1 1 1 12 3  23 o 54.518  1.7939 29.870   1.3661  56.041  2.2787 52.994  2.7712 3.047504       3.587750 
1 1 1 12 3  25 o 423.985 2.9797 1802.28  17.763  429.004 3.9292 418.966 4.4806 10.03821       5.959382 
1 1 1 12 3  27 o 110.564 1.5170 122.586  2.3556  112.646 1.9839 108.483 2.2954 4.162788       3.033954 
1 1 1 12 3  29 o 354.116 2.8679 1256.69  13.331  354.637 3.0788 353.596 4.8394 1.040894       5.735731 
1 1 1 12 3  31 o 60.138  1.9788 36.272   1.6208  60.518  2.3211 59.757  3.2055 0.7614784      3.957649 
1 1 1 12 3  33 o 34.135  3.3096 12.151   1.4835  37.265  3.5982 31.004  5.5557 6.261248       6.619117 
1 1 1 12 3  35 o 109.528 1.8746 118.884  2.3654  108.008 1.5961 111.049 3.3924 -3.041039      3.749110 
1 1 1 12 3  37 o 24.175  4.6367 6.1438   1.6388  26.906  5.1679 21.444  7.7000 5.462164       9.273496 
1 1 1 12 3  39 o 33.334  3.6566 10.918   1.6388  30.829  4.3493 35.839  5.8792 -5.010227      7.313134 
1 1 1 12 3  41 o 20.452  4.7350 3.8333   1.6578  22.817  5.8493 18.087  7.4475 4.729921       9.469937 
1 1 1 12 3  43 o 59.727  2.2609 36.016   1.8398  60.169  2.6530 59.284  3.6619 0.8847046      4.521897 
1 1 1 12 3  45 f 20.354  5.0985 3.4198   1.7618  15.155  6.0821 25.553  8.1846 -10.39774      10.19706 
1 1 1 12 3  47 o 19.857  5.0743 3.7121   1.8164  16.800  6.5650 22.913  7.7392 -6.112539      10.14859 
1 1 1 12 3  49 o 16.868  4.9468 1.5984   1.8112  14.351  6.0314 19.384  7.8425 -5.032929      9.893574 
1 1 1 12 3  51 o 27.162  5.1493 8.9725   1.9332  28.241  5.6256 26.082  8.6264 2.158976       10.29868 
1 1 1 12 3  53 o 33.167  4.2936 12.850   1.8841  30.123  5.5036 36.210  6.5918 -6.087221      8.587263 
1 1 1 12 4  0  o 533.723 4.7263 2849.77  50.442  533.723 4.7263 ?       ?      0.000000       0.000000 
1 1 1 12 4  2  o 620.985 4.9001 3847.68  40.776  616.257 5.5431 625.713 8.0819 -9.455505      9.800190 
1 1 1 12 4  4  o 129.820 1.3815 169.118  2.5120  132.796 1.7790 126.844 2.1142 5.952080       2.763098 
1 1 1 12 4  6  o 600.639 3.7883 3605.86  31.459  598.602 4.6720 602.676 5.9647 -4.073792      7.576602 
1 1 1 12 4  8  o 590.695 3.8238 3497.57  31.061  595.228 4.6126 586.162 6.1001 9.065857       7.647688 
1 1 1 12 4  10 o 204.870 2.1475 416.954  5.8636  201.446 2.4089 208.294 3.5559 -6.847900      4.294987 
1 1 1 12 4  12 o 350.098 2.3810 1227.79  11.610  352.893 3.0035 347.303 3.6953 5.589661       4.761977 
1 1 1 12 4  14 o 180.529 2.0344 322.404  4.9240  175.387 2.3299 185.671 3.3357 -10.28363      4.068878 
1 1 1 12 4  16 o 343.929 2.4521 1183.84  11.597  344.682 2.9639 343.176 3.9072 1.506226       4.904189 
1 1 1 12 4  18 o 404.370 2.7898 1636.19  15.603  404.738 3.4391 404.002 4.3936 0.7356567      5.579570 
1 1 1 12 4  20 o 287.865 2.0922 825.461  8.2769  283.586 2.5442 292.145 3.3221 -8.558777      4.184418 
1 1 1 12 4  22 o 210.261 1.6332 443.774  4.7850  214.182 2.0570 206.339 2.5374 7.843338       3.266459 
1 1 1 12 4  24 o 279.781 2.3327 788.730  8.6728  284.686 2.5568 274.876 3.9024 9.809784       4.665446 
1 1 1 12 4  26 o 157.787 1.6486 248.667  3.5487  156.968 1.9525 158.606 2.6570 -1.638077      3.297257 
1 1 1 12 4  28 o 246.421 2.1290 607.004  7.3621  244.211 2.7976 248.632 3.2101 -4.420868      4.258069 
1 1 1 12 4  30 o 50.111  2.1617 25.099   1.5297  48.711  3.0148 51.510  3.0989 -2.798782      4.323486 
1 1 1 12 4  32 o 201.578 2.0247 408.509  5.3569  203.528 2.1647 199.629 3.4223 3.898972       4.049470 
1 1 1 12 4  34 o 41.931  2.3327 17.684   1.2648  42.257  2.4176 41.605  3.9902 0.6519318      4.665472 
1 1 1 12 4  36 o 62.434  2.1336 40.217   1.7057  66.244  2.1205 58.625  3.7031 7.619301       4.267229 
1 1 1 12 4  38 o 80.807  2.0899 64.381   2.1377  78.309  2.1199 83.304  3.6024 -4.994995      4.179898 
1 1 1 12 4  40 o 125.360 1.8976 155.850  3.0623  122.538 1.9801 128.183 3.2378 -5.645103      3.795236 
1 1 1 12 4  42 o 44.187  3.1375 19.757   1.7272  44.204  3.0333 44.169  5.4932 0.3490448E-01  6.275082 
1 1 1 12 4  44 f 21.380  4.6825 4.7067   1.5116  20.280  5.9271 22.480  7.2506 -2.199886      9.364928 
1 1 1 12 4  46 o 43.812  3.8586 19.398   1.9989  42.204  3.4797 45.421  6.8882 -3.216972      7.717259 
1 1 1 12 4  48 o 18.444  5.2799 2.3925   2.1240  18.355  7.0915 18.533  7.8244 -0.1781387     10.55988 
1 1 1 12 4  50 o 23.673  5.2262 6.5890   1.9052  23.887  6.5074 23.458  8.1798 0.4282856      10.45247 
1 1 1 12 4  52 o 19.537  5.3161 4.1522   1.9832  18.683  6.7027 20.391  8.2533 -1.708376      10.63217 
1 1 1 12 4  54 o 17.848  5.2675 2.8733   2.3440  19.395  7.3746 16.300  7.5235 3.095213       10.53507 
1 1 1 12 5  1  o 378.632 2.8678 1433.85  15.354  379.913 4.0840 377.351 4.0271 2.561493       5.735574 
1 1 1 12 5  3  o 233.658 1.9181 542.486  6.1128  228.866 2.2877 238.450 3.0794 -9.584457      3.836165 
1 1 1 12 5  5  o 351.022 2.5603 1230.56  12.182  349.512 2.9778 352.532 4.1658 -3.019653      5.120600 
1 1 1 12 5  7  o 379.937 3.5196 1432.49  18.207  370.612 4.1865 389.263 5.6590 -18.65097      7.039258 
1 1 1 12 5  9  o 421.907 2.9043 1779.49  16.851  421.131 3.5175 422.683 4.6224 -1.552032      5.808587 
1 1 1 12 5  11 o 812.117 5.2817 6598.66  59.964  811.475 6.7905 812.758 8.0917 -1.282898      10.56343 
1 1 1 12 5  13 o 328.033 2.2636 1077.24  10.433  330.469 2.9755 325.597 3.4122 4.871704       4.527296 
1 1 1 12 5  15 o 375.414 4.1037 1402.73  18.808  372.266 3.8420 378.563 7.2526 -6.296295      8.207404 
1 1 1 12 5  17 o 559.000 3.4863 3127.20  27.543  556.373 5.0380 561.627 4.8204 -5.254089      6.972661 
1 1 1 12 5  19 o 155.000 1.9155 239.195  4.1118  152.018 2.3941 157.981 2.9908 -5.963379      3.831025 
1 1 1 12 5  21 o 171.526 1.5563 294.680  3.7628  168.696 2.3088 174.357 2.0874 -5.660477      3.112518 
1 1 1 12 5  23 o 267.121 1.9691 713.818  7.4384  268.435 2.7830 265.807 2.7865 2.628418       3.938206 
1 1 1 12 5  25 o 132.766 1.5646 176.355  2.9371  134.305 2.1869 131.227 2.2382 3.077927       3.129226 
1 1 1 12 5  27 o 55.029  1.8433 30.024   1.4189  58.042  2.7502 52.016  2.4550 6.025513       3.686563 
1 1 1 12 5  29 o 71.074  1.9333 49.975   1.9218  76.278  2.8461 65.869  2.6172 10.40855       3.866519 
1 1 1 12 5  31 o 47.499  2.5905 22.565   1.6861  47.243  3.1086 47.755  4.1448 -0.5127640     5.180967 
1 1 1 12 5  33 o 45.434  2.2388 20.702   1.4359  46.138  3.0446 44.729  3.2832 1.409306       4.477610 
1 1 1 12 5  35 o 66.434  1.9289 44.631   1.7787  69.804  2.3782 63.063  3.0375 6.741604       3.857749 
1 1 1 12 5  37 o 80.592  1.6411 65.195   1.7251  80.979  1.7347 80.206  2.7863 0.7726364      3.282137 
1 1 1 12 5  39 o 117.486 1.6694 136.298  2.5150  114.110 1.7346 120.863 2.8528 -6.753021      3.338730 
1 1 1 12 5  41 o 16.049  4.7114 0.7917   1.6857  14.802  6.0252 17.296  7.2447 -2.493745      9.422828 
1 1 1 12 5  43 o 101.292 1.9660 103.083  2.5971  101.086 2.0844 101.498 3.3341 -0.4123764     3.932077 
1 1 1 12 5  45 o 52.506  2.5690 28.517   1.8164  55.536  2.8743 49.476  4.2588 6.060577       5.137956 
1 1 1 12 5  47 o 20.588  5.4608 3.5982   2.0188  15.928  6.4456 25.247  8.8167 -9.318661      10.92151 
1 1 1 12 5  49 o 20.120  5.2011 4.1513   1.9218  17.502  6.8259 22.737  7.8495 -5.235250      10.40227 
1 1 1 12 5  51 o 16.168  4.8536 0.9287   1.9503  16.622  6.4452 15.714  7.2588 0.9082766      9.707202 
1 1 1 12 5  53 o 17.975  5.5236 2.5308   2.2290  16.484  6.4342 19.466  8.9801 -2.982029      11.04719 
1 1 1 12 6  0  o 421.018 5.4465 1773.77  45.845  421.018 5.4465 ?       ?      0.000000       0.000000 
1 1 1 12 6  2  f 278.918 2.6219 778.416  9.4864  279.180 2.7445 278.656 4.4682 0.5241089      5.243733 
1 1 1 12 6  4  o 420.072 3.7253 1749.31  20.284  412.284 3.9337 427.860 6.3274 -15.57596      7.450545 
1 1 1 12 6  6  o 431.415 2.9393 1862.45  17.401  432.159 3.5312 430.671 4.6998 1.488586       5.878531 
1 1 1 12 6  8  o 659.015 4.1461 4343.88  37.536  658.599 5.0026 659.430 6.6133 -0.8305664     8.292220 
1 1 1 12 6  10 o 783.393 4.7197 6137.44  52.265  772.354 6.6136 794.431 6.7352 -22.07703      9.439426 
1 1 1 12 6  12 f 272.805 1.9610 743.854  7.5597  269.214 2.7275 276.397 2.8183 -7.183746      3.922013 
1 1 1 12 6  14 o 348.017 2.3487 1211.60  11.556  345.897 3.3781 350.137 3.2642 -4.239624      4.697495 
1 1 1 12 6  16 o 202.841 1.6241 410.438  4.6471  209.702 2.3445 195.980 2.2480 13.72188       3.248130 
1 1 1 12 6  18 o 244.150 1.8304 594.841  6.2980  249.939 2.6824 238.360 2.4912 11.57903       3.660784 
1 1 1 12 6  20 o 382.880 2.5348 1464.86  13.704  375.542 3.5025 390.218 3.6653 -14.67639      5.069651 
1 1 1 12 6  22 o 173.488 1.4711 300.900  3.6005  174.498 2.1589 172.477 1.9991 2.020905       2.942269 
1 1 1 12 6  24 o 73.006  1.4850 53.297   1.5297  72.701  2.0200 73.311  2.1774 -0.6104431     2.970087 
1 1 1 12 6  26 o 187.881 1.6343 353.156  4.3409  187.897 2.3447 187.866 2.2771 0.3143311E-01  3.268512 
1 1 1 12 6  28 o 214.048 1.9933 459.660  5.9687  210.829 3.0588 217.268 2.5567 -6.438873      3.986652 
1 1 1 12 6  30 o 232.351 2.1363 540.157  6.9273  233.081 3.2873 231.620 2.7291 1.460663       4.272514 
1 1 1 12 6  32 o 75.852  1.6075 57.593   1.7240  76.778  2.2454 74.926  2.3009 1.851913       3.214939 
1 1 1 12 6  34 o 92.694  1.7060 86.070   2.2348  94.692  2.3600 90.697  2.4640 3.995193       3.411901 
1 1 1 12 6  36 o 68.692  1.6422 47.042   1.5860  66.236  2.2172 71.147  2.4231 -4.910851      3.284385 
1 1 1 12 6  38 o 23.564  4.6204 5.8104   1.5963  24.384  6.4470 22.743  6.6202 1.641937       9.240761 
1 1 1 12 6  40 o 27.878  4.3228 8.0280   1.5987  26.111  5.3197 29.646  6.8152 -3.534735      8.645606 
1 1 1 12 6  42 o 28.375  4.0777 8.5202   1.5860  30.688  4.7854 26.063  6.6037 4.625753       8.155334 
1 1 1 12 6  44 o 29.358  4.5828 9.1372   1.7438  28.447  5.1250 30.270  7.5988 -1.822554      9.165548 
1 1 1 12 6  46 o 16.183  4.8319 0.7456   1.8125  15.706  6.1541 16.660  7.4510 -0.9536304     9.663863 
1 1 1 12 6  48 o 25.015  4.8160 7.1721   1.7507  25.756  6.4529 24.273  7.1510 1.483295       9.632049 
1 1 1 12 6  50 o 27.460  4.9413 9.0915   1.8784  29.692  5.3570 25.227  8.3048 4.464231       9.882675 
1 1 1 12 6  52 o 20.189  5.7834 4.2993   2.2475  19.278  6.6000 21.100  9.4991 -1.821924      11.56688 
1 1 1 12 7  1  o 372.249 3.3049 1383.32  15.983  370.727 3.4791 373.772 5.6202 -3.045074      6.609899 
1 1 1 12 7  3  o 742.119 5.8326 5519.80  60.594  748.955 7.5193 735.283 8.9183 13.67230       11.66512 
1 1 1 12 7  5  o 517.486 3.9755 2653.87  26.227  508.336 4.0571 526.637 6.8380 -18.30081      7.951032 
1 1 1 12 7  7  o 778.838 4.9927 6055.03  54.310  768.958 6.4269 788.718 7.6421 -19.76056      9.985351 
1 1 1 12 7  9  o 545.526 3.5815 2974.78  26.874  544.138 4.3417 546.914 5.6972 -2.776306      7.163010 
1 1 1 12 7  11 o 261.165 2.4817 679.046  8.7857  257.627 2.8997 264.702 4.0283 -7.075409      4.963442 
1 1 1 12 7  13 o 446.255 2.9247 1992.36  18.449  448.611 4.0564 443.900 4.2145 4.710938       5.849472 
1 1 1 12 7  15 o 159.183 1.4180 253.144  3.1874  161.870 2.0512 156.496 1.9584 5.373840       2.835950 
1 1 1 12 7  17 o 344.631 2.3251 1187.25  11.323  339.317 3.2366 349.944 3.3390 -10.62741      4.650201 
1 1 1 12 7  19 o 364.908 2.4379 1332.35  12.578  361.783 3.4945 368.032 3.4004 -6.248230      4.875885 
1 1 1 12 7  21 o 370.128 2.4152 1370.53  12.639  368.251 3.3811 372.005 3.4499 -3.754456      4.830498 
1 1 1 12 7  23 o 338.181 2.5642 1144.71  12.254  339.074 3.5402 337.288 3.7104 1.785980       5.128350 
1 1 1 12 7  25 f 170.377 1.5502 290.205  3.7328  174.704 2.1929 166.050 2.1918 8.653564       3.100421 
1 1 1 12 7  27 o 69.810  1.4285 48.886   1.4018  71.457  1.8764 68.162  2.1545 3.295349       2.857089 
1 1 1 12 7  29 f 59.130  1.8341 34.990   1.5297  59.128  2.6997 59.132  2.4835 -0.3726959E-02 3.668262 
1 1 1 12 7  31 o 130.793 1.6265 170.636  2.9670  128.607 2.0852 132.980 2.4968 -4.372696      3.253003 
1 1 1 12 7  33 o 99.697  1.5595 100.061  2.1409  101.918 1.8795 97.476  2.4891 4.442001       3.119008 
1 1 1 12 7  35 o 42.011  3.0813 17.951   1.7513  43.707  3.5061 40.315  5.0681 3.391808       6.162643 
1 1 1 12 7  37 f 113.297 1.6765 128.227  2.6574  111.317 2.1796 115.276 2.5479 -3.958282      3.353009 
1 1 1 12 7  39 o 54.438  2.4046 29.708   1.8429  52.992  3.2532 55.884  3.5419 -2.891296      4.809255 
1 1 1 12 7  41 o 103.780 1.5708 107.971  2.2827  103.437 2.0370 104.123 2.3916 -0.6855316     3.141522 
1 1 1 12 7  43 o 68.181  2.2055 47.351   2.0157  70.105  2.4591 66.256  3.6620 3.848801       4.411085 
1 1 1 12 7  45 o 21.404  4.8767 4.3687   1.8147  16.449  6.6818 26.359  7.1051 -9.910151      9.753395 
1 1 1 12 7  47 o 19.993  5.2286 3.8516   1.8784  18.954  6.5899 21.033  8.1194 -2.078615      10.45711 
1 1 1 12 7  49 o 22.428  5.3940 5.6653   1.9503  22.081  6.5054 22.774  8.6059 -0.6931801     10.78804 
1 1 1 12 7  51 o 19.333  5.4618 3.5975   2.0870  16.872  6.6667 21.795  8.6533 -4.922176      10.92363 
1 1 1 12 7  53 o 14.549  4.7164 -2.3001  2.2384  14.845  6.1957 14.253  7.1127 0.5922585      9.432766 
1 1 1 12 8  0  o 831.856 10.519 6927.52  174.950 831.856 10.519 ?       ?      0.000000       0.000000 
1 1 1 12 8  2  o 622.595 5.1480 3890.19  44.969  636.518 6.6908 608.673 7.8256 27.84442       10.29599 
1 1 1 12 8  4  f 538.648 4.0914 2913.70  28.478  542.968 4.2334 534.329 7.0025 8.638733       8.182717 
1 1 1 12 8  6  f 766.345 5.7016 5858.54  58.861  759.690 6.5389 772.999 9.3422 -13.30859      11.40324 
1 1 1 12 8  8  o 669.539 4.2170 4489.60  38.796  672.223 5.0816 666.854 6.7311 5.368286       8.433937 
1 1 1 12 8  10 o 610.254 3.8946 3714.49  32.665  603.729 4.7275 616.779 6.1906 -13.04956      7.789289 
1 1 1 12 8  12 o 369.977 2.5382 1367.91  12.874  368.841 3.0468 371.113 4.0604 -2.272125      5.076377 
1 1 1 12 8  14 o 296.951 2.2220 884.188  9.1592  300.365 2.7635 293.536 3.4803 6.828552       4.444058 
1 1 1 12 8  16 o 535.480 3.4310 2873.13  25.490  538.627 4.2676 532.333 5.3735 6.293579       6.861974 
1 1 1 12 8  18 o 541.502 3.5049 2934.08  26.087  541.111 4.2362 541.893 5.5851 -0.7823486     7.009851 
1 1 1 12 8  20 o 416.354 2.7289 1734.22  16.030  417.677 4.0052 415.032 3.7077 2.645081       5.457877 
1 1 1 12 8  22 o 282.479 2.0397 798.844  8.1378  278.917 2.9760 286.042 2.7903 -7.125366      4.079473 
1 1 1 12 8  24 o 40.952  2.5042 17.193   1.3931  44.619  2.8620 37.285  4.1100 7.334702       5.008333 
1 1 1 12 8  26 o 146.199 1.4669 213.829  3.0326  146.395 2.0935 146.003 2.0554 0.3917236      2.933871 
1 1 1 12 8  28 o 88.405  2.3301 78.394   2.9020  90.359  3.1092 86.452  3.4713 3.906677       4.660123 
1 1 1 12 8  30 o 210.545 1.9422 443.905  5.7741  209.296 2.8372 211.794 2.6530 -2.498627      3.884304 
1 1 1 12 8  32 o 153.239 1.6201 234.779  3.5071  157.234 2.3147 149.245 2.2675 7.988602       3.240243 
1 1 1 12 8  34 o 110.203 1.7971 120.759  2.5971  108.526 1.9415 111.881 3.0247 -3.354576      3.594228 
1 1 1 12 8  36 o 223.706 2.1227 500.644  6.1708  222.707 2.2363 224.706 3.6087 -1.998566      4.245444 
1 1 1 12 8  38 o 86.637  1.9135 76.180   2.1655  88.975  2.0093 84.298  3.2570 4.676552       3.826913 
1 1 1 12 8  40 o 16.064  4.9025 -0.2128  1.8729  15.169  6.0844 16.959  7.6888 -1.790265      9.804953 
1 1 1 12 8  42 o 39.445  3.4984 16.181   1.8398  41.898  3.8099 36.993  5.8685 4.905289       6.996735 
1 1 1 12 8  44 o 36.120  4.1508 14.377   1.8112  39.790  3.6908 32.449  7.4360 7.340542       8.301550 
1 1 1 12 8  46 o 57.744  2.9319 34.444   2.1213  58.140  2.8554 57.348  5.1216 0.7916756      5.863748 
1 1 1 12 8  48 o 20.077  5.2203 3.9647   1.8816  20.088  6.4549 20.066  8.2060 0.2273369E-01  10.44051 
1 1 1 12 8  50 o 38.814  3.7126 16.530   1.9865  39.867  4.4844 37.761  5.9181 2.105991       7.425248 
1 1 1 12 8  52 o 25.128  5.8480 8.4619   2.3524  27.467  5.9782 22.790  10.053 4.677088       11.69602 
1 1 1 12 9  1  o 336.122 2.8212 1129.93  13.407  330.690 4.0161 341.554 3.9631 -10.86469      5.642317 
1 1 1 12 9  3  o 501.830 3.2799 2517.67  22.666  500.886 3.9900 502.774 5.2068 -1.888489      6.559813 
1 1 1 12 9  5  o 650.203 4.9460 4225.65  41.567  648.895 5.1463 651.512 8.4479 -2.616333      9.891968 
1 1 1 12 9  7  o 280.435 2.3977 784.328  9.4790  289.323 3.4869 271.546 3.2919 17.77725       4.795314 
1 1 1 12 9  9  o 816.107 5.9397 6733.85  66.012  843.303 6.8976 788.912 9.6717 54.39111       11.87936 
1 1 1 12 9  11 o 457.295 3.0630 2082.48  19.208  450.224 3.7015 464.365 4.8813 -14.14066      6.125991 
1 1 1 12 9  13 o 46.444  1.7965 21.443   1.1735  49.124  2.5995 43.764  2.4803 5.360622       3.592957 
1 1 1 12 9  15 o 381.506 2.6273 1458.60  13.646  383.630 3.0791 379.382 4.2580 4.248138       5.254669 
1 1 1 12 9  17 o 459.560 2.9203 2112.68  18.540  459.148 3.5878 459.971 4.6086 -0.8225708     5.840538 
1 1 1 12 9  19 o 331.905 2.3540 1105.55  10.920  337.986 3.0037 325.823 3.6254 12.16278       4.708057 
1 1 1 12 9  21 o 159.653 1.5374 253.846  3.3723  157.180 1.8686 162.127 2.4417 -4.947113      3.074728 
1 1 1 12 9  23 o 71.581  1.6934 51.483   1.6625  72.700  2.0200 70.462  2.7185 2.237701       3.386860 
1 1 1 12 9  25 o 176.176 1.6378 309.748  3.9819  174.448 2.0131 177.904 2.5841 -3.455627      3.275680 
1 1 1 12 9  27 o 70.905  1.7739 50.720   1.7414  73.566  2.1698 68.245  2.8068 5.320946       3.547738 
1 1 1 12 9  29 o 252.175 2.0909 636.887  7.4077  252.915 2.7518 251.435 3.1489 1.480042       4.181861 
1 1 1 12 9  31 o 263.441 2.5272 696.317  8.8675  264.257 2.8028 262.625 4.2061 1.632111       5.054375 
1 1 1 12 9  33 o 73.154  2.1820 53.810   2.2056  74.218  2.6670 72.090  3.4543 2.128128       4.364008 
1 1 1 12 9  35 o 136.162 1.8335 185.204  3.1651  135.497 1.8378 136.826 3.1732 -1.328934      3.667014 
1 1 1 12 9  37 o 35.489  3.2273 12.334   1.5775  31.042  4.3195 39.937  4.7964 -8.894419      6.454694 
1 1 1 12 9  39 o 46.218  2.7750 22.034   1.7507  51.415  3.2288 41.020  4.5140 10.39483       5.549940 
1 1 1 12 9  41 o 91.828  1.9020 85.217   2.3658  93.363  2.1885 90.292  3.1115 3.070297       3.804028 
1 1 1 12 9  43 o 62.159  2.7483 38.307   2.1537  59.663  2.7825 64.655  4.7403 -4.991325      5.496591 
1 1 1 12 9  45 o 39.926  2.9462 16.105   1.5987  37.752  3.5517 42.099  4.7017 -4.346687      5.892400 
1 1 1 12 9  47 o 49.655  3.0589 25.835   1.9646  50.576  3.1562 48.734  5.2408 1.841988       6.117758 
1 1 1 12 9  49 o 37.923  4.0135 14.954   2.0188  32.940  4.8460 42.905  6.3992 -9.965111      8.027012 
1 1 1 12 9  51 o 14.296  4.6316 -1.2181  2.0157  11.759  5.5475 16.833  7.4183 -5.073605      9.263186 
1 1 1 12 10 0  o 488.197 5.2067 2384.56  50.825  488.197 5.2067 ?       ?      0.000000       0.000000 
1 1 1 12 10 2  o 345.042 2.5814 1191.15  12.552  343.753 3.8263 346.331 3.4660 -2.577240      5.162771 
1 1 1 12 10 4  o 332.413 2.3633 1105.10  11.110  334.708 3.3384 330.118 3.3461 4.590240       4.726661 
1 1 1 12 10 6  o 432.168 2.9202 1874.71  17.591  440.288 3.6835 424.049 4.5323 16.23877       5.840339 
1 1 1 12 10 8  o 327.569 2.3523 1076.01  10.732  331.950 2.9622 323.188 3.6549 8.762115       4.704584 
1 1 1 12 10 10 o 990.992 8.7545 9916.11  99.734  1001.25 7.3209 980.737 15.905 20.50903       17.50902 
1 1 1 12 10 12 o 459.401 3.0382 2118.23  19.461  467.443 3.8383 451.359 4.7107 16.08368       6.076468 
1 1 1 12 10 14 o 152.502 1.6445 232.570  3.5365  152.231 2.2230 152.773 2.4241 -0.5420532     3.289043 
1 1 1 12 10 16 o 342.684 2.4917 1178.43  11.743  346.634 3.0025 338.734 3.9773 7.899658       4.983351 
1 1 1 12 10 18 o 351.618 2.3881 1233.08  11.519  347.802 2.8822 355.433 3.8084 -7.630951      4.776109 
1 1 1 12 10 20 o 224.684 1.6889 507.020  5.3084  230.457 2.1611 218.910 2.5959 11.54659       3.377710 
1 1 1 12 10 22 o 143.578 1.5905 206.948  3.0442  144.877 1.7629 142.279 2.6477 2.598068       3.180920 
1 1 1 12 10 24 o 223.361 1.9184 499.988  5.9041  224.680 2.3303 222.042 3.0481 2.638092       3.836855 
1 1 1 12 10 26 o 52.035  2.0876 27.431   1.4672  53.944  2.3673 50.127  3.4392 3.816933       4.175188 
1 1 1 12 10 28 o 101.360 1.5366 102.488  2.1913  98.813  2.0678 103.907 2.2736 -5.093910      3.073291 
1 1 1 12 10 30 o 48.482  2.8162 23.706   1.9134  50.988  3.6316 45.975  4.3053 5.012486       5.632386 
1 1 1 12 10 32 o 238.674 2.0639 571.015  6.7628  239.215 2.4823 238.133 3.2980 1.081589       4.127787 
1 1 1 12 10 34 o 73.792  1.5939 54.582   1.6577  74.748  2.1355 72.837  2.3669 1.910469       3.187882 
1 1 1 12 10 36 o 130.393 1.6297 170.298  2.7983  130.348 1.7634 130.439 2.7412 -0.9132385E-01 3.259454 
1 1 1 12 10 38 o 108.005 1.8669 116.745  2.6157  107.525 1.9596 108.485 3.1782 -0.9606018     3.733808 
1 1 1 12 10 40 f 39.293  4.0139 16.432   1.9454  42.088  3.7927 36.498  7.0753 5.590267       8.027725 
1 1 1 12 10 42 o 76.467  2.1510 59.282   2.2702  78.208  2.6125 74.726  3.4178 3.482132       4.301963 
1 1 1 12 10 44 o 32.034  4.8149 11.774   1.9832  37.034  4.3103 27.033  8.6114 10.00020       9.629858 
1 1 1 12 10 46 o 17.757  4.7567 1.3985   1.9464  21.753  6.9941 13.761  6.4488 7.992746       9.513404 
1 1 1 12 10 48 f 43.350  3.6754 20.411   2.0789  44.955  3.8348 41.744  6.2712 3.211296       7.350796 
1 1 1 12 10 50 o 42.405  3.8230 20.254   2.1654  45.964  4.1674 38.845  6.4106 7.119717       7.646067 
1 1 1 12 10 52 o 24.138  5.6056 8.0590   2.2802  26.790  6.2963 21.487  9.2763 5.302711       11.21124 
1 1 1 12 11 1  o 257.091 2.0021 660.931  7.2767  258.345 2.8670 255.837 2.7952 2.507431       4.004104 
1 1 1 12 11 3  o 365.867 2.4745 1338.86  12.800  365.377 3.5475 366.356 3.4508 -0.9788208     4.949026 
1 1 1 12 11 5  o 40.203  1.8925 15.422   1.0254  45.760  2.9302 34.645  2.3959 11.11537       3.784989 
1 1 1 12 11 7  f 589.299 4.0063 3477.23  33.265  593.864 5.3651 584.734 5.9512 9.130249       8.012533 
1 1 1 12 11 9  o 187.046 1.6590 349.901  4.2479  187.049 1.9799 187.043 2.6627 0.5783081E-02  3.318081 
1 1 1 12 11 11 o 748.708 4.6696 5587.62  47.820  738.274 5.5957 759.143 7.4773 -20.86945      9.339199 
1 1 1 12 11 13 o 477.611 3.1521 2280.18  20.778  475.704 3.8656 479.518 4.9800 -3.813690      6.304255 
1 1 1 12 11 15 o 485.631 3.1395 2367.27  21.182  492.756 3.9133 478.505 4.9105 14.25122       6.279056 
1 1 1 12 11 17 f 130.140 1.4478 169.347  2.6186  129.971 1.8177 130.309 2.2540 -0.3384094     2.895571 
1 1 1 12 11 19 o 265.894 2.1408 709.193  7.9846  270.944 2.7808 260.843 3.2556 10.10098       4.281579 
1 1 1 12 11 21 o 175.303 1.7126 308.856  4.0942  177.971 2.0091 172.634 2.7740 5.337677       3.425103 
1 1 1 12 11 23 o 244.446 2.0532 600.072  6.9255  247.901 2.4984 240.990 3.2589 6.910843       4.106366 
1 1 1 12 11 25 o 109.592 1.5472 120.394  2.3003  110.241 1.7955 108.942 2.5202 1.298668       3.094378 
1 1 1 12 11 27 o 102.865 1.4543 105.852  2.0897  102.807 1.8632 102.922 2.2334 -0.1149292     2.908507 
1 1 1 12 11 29 o 188.417 1.7455 355.574  4.5919  189.161 2.2278 187.674 2.6877 1.486572       3.490996 
1 1 1 12 11 31 o 72.303  2.0830 51.730   2.0123  70.077  2.3690 74.528  3.4269 -4.450447      4.166040 
1 1 1 12 11 33 o 35.194  2.9884 12.534   1.4575  36.566  3.6670 33.822  4.7196 2.743969       5.976765 
1 1 1 12 11 35 o 86.325  1.8161 75.111   2.1033  87.689  2.0388 84.961  3.0061 2.728607       3.632274 
1 1 1 12 11 37 o 125.949 1.5700 159.178  2.6505  126.405 1.7679 125.493 2.5949 0.9124222      3.139903 
1 1 1 12 11 39 o 36.809  3.1250 13.526   1.5975  34.866  4.0289 38.753  4.7782 -3.886539      6.250026 
1 1 1 12 11 41 o 38.848  3.1950 15.092   1.7274  33.999  4.5072 43.698  4.5297 -9.698753      6.390069 
1 1 1 12 11 43 o 28.763  5.5708 8.1591   2.0242  22.789  6.2565 34.738  9.2191 -11.94932      11.14162 
1 1 1 12 11 45 o 24.443  5.0081 6.5992   2.0511  29.876  6.3845 19.009  7.7176 10.86670       10.01617 
1 1 1 12 11 47 o 19.315  5.5278 2.9284   2.0572  16.601  6.4435 22.030  8.9837 -5.429384      11.05560 
1 1 1 12 11 49 o 16.073  4.6688 1.7358   1.6861  15.979  6.2840 16.168  6.9066 -0.1897879     9.337525 
1 1 1 12 11 51 o 32.600  5.1931 13.215   2.1899  32.529  5.2997 32.671  8.9322 -0.1418037     10.38615 
1 1 1 12 12 0  o 265.785 2.7874 706.697  14.813  265.785 2.7874 ?       ?      0.000000       0.000000 
1 1 1 12 12 2  o 366.968 2.4609 1346.66  12.767  359.879 3.4952 374.058 3.4651 -14.17831      4.921761 
1 1 1 12 12 4  o 555.708 3.5262 3081.98  27.587  567.750 5.2070 543.665 4.7565 24.08435       7.052460 
1 1 1 12 12 6  o 459.328 3.0176 2109.55  19.585  463.828 4.3501 454.829 4.1834 8.998322       6.035229 
1 1 1 12 12 8  o 642.200 4.0058 4124.14  36.278  637.131 5.4317 647.270 5.8892 -10.13867      8.011575 
1 1 1 12 12 10 o 161.834 1.6041 260.940  3.5487  159.805 1.9179 163.862 2.5718 -4.056900      3.208126 
1 1 1 12 12 12 o 454.935 3.1555 2068.16  19.584  452.960 3.7355 456.911 5.0867 -3.950714      6.310968 
1 1 1 12 12 14 o 634.874 3.9913 4021.96  34.891  627.201 4.8763 642.548 6.3200 -15.34753      7.982524 
1 1 1 12 12 16 o 269.435 1.9882 723.454  7.3958  265.466 2.4533 273.403 3.1294 -7.937317      3.976446 
1 1 1 12 12 18 o 179.206 1.5763 322.601  3.9217  182.791 1.9561 175.620 2.4723 7.170609       3.152559 
1 1 1 12 12 20 o 243.350 1.9321 591.922  6.6104  241.496 2.5646 245.205 2.8904 -3.709122      3.864164 
1 1 1 12 12 22 o 414.040 3.0104 1716.13  17.311  413.231 3.7702 414.849 4.6943 -1.617920      6.020877 
1 1 1 12 12 24 o 199.025 1.7522 397.129  4.8092  200.548 2.1331 197.502 2.7803 3.046356       3.504329 
1 1 1 12 12 26 o 45.382  2.4389 20.630   1.5637  45.029  3.5450 45.735  3.3507 -0.7059555     4.877892 
1 1 1 12 12 28 o 151.936 1.5784 230.857  3.3648  151.272 2.0682 152.601 2.3850 -1.328934      3.156852 
1 1 1 12 12 30 o 232.957 1.9259 543.286  6.2690  232.495 2.4717 233.419 2.9543 -0.9244537     3.851885 
1 1 1 12 12 32 o 57.827  2.2237 33.731   1.7513  59.113  2.5924 56.541  3.6137 2.571259       4.447351 
1 1 1 12 12 34 o 42.587  2.2818 18.208   1.3720  43.115  3.1100 42.059  3.3399 1.055870       4.563626 
1 1 1 12 12 36 o 77.022  1.8797 60.400   1.9052  79.840  1.9993 74.204  3.1837 5.636192       3.759463 
1 1 1 12 12 38 o 94.755  1.8623 90.644   2.3188  96.198  1.9912 93.313  3.1476 2.884598       3.724561 
1 1 1 12 12 40 o 55.698  2.8477 31.868   2.0013  57.457  2.7782 53.939  4.9718 3.518566       5.695331 
1 1 1 12 12 42 o 28.187  4.3877 8.2675   1.6648  23.338  5.9894 33.036  6.4137 -9.697989      8.775453 
1 1 1 12 12 44 o 27.552  4.4867 8.5879   1.7673  32.411  4.9250 22.692  7.5010 9.718863       8.973345 
1 1 1 12 12 46 o 16.355  5.1968 -0.3405  2.1283  13.150  5.8857 19.559  8.5664 -6.409229      10.39351 
1 1 1 12 12 48 o 18.867  5.4322 2.8993   2.1367  16.750  6.7312 20.985  8.5279 -4.235336      10.86439 
1 1 1 12 12 50 o 16.042  5.0595 -0.2537  2.2566  12.227  5.8018 19.857  8.2906 -7.629859      10.11904 
1 1 1 12 13 1  o 298.674 2.2779 892.272  9.5856  298.763 3.0561 298.586 3.3787 0.1771240      4.555847 
1 1 1 12 13 3  o 325.680 2.3984 1060.80  11.043  324.486 3.3452 326.875 3.4379 -2.389221      4.796808 
1 1 1 12 13 5  o 420.734 2.8867 1770.80  17.176  417.889 4.0948 423.579 4.0700 -5.689850      5.773440 
1 1 1 12 13 7  o 458.753 2.9770 2104.47  19.300  453.909 4.1356 463.598 4.2833 -9.689484      5.954037 
1 1 1 12 13 9  o 215.553 1.7512 465.165  5.3313  210.058 2.5533 221.048 2.3975 -10.99008      3.502467 
1 1 1 12 13 11 o 238.522 1.8372 569.322  6.1928  235.283 2.6595 241.762 2.5354 -6.479248      3.674400 
1 1 1 12 13 13 o 510.807 3.3430 2615.81  23.614  514.412 4.1085 507.201 5.2747 7.211365       6.685957 
1 1 1 12 13 15 o 321.425 2.4159 1035.68  10.834  324.767 3.0670 318.082 3.7337 6.684692       4.831873 
1 1 1 12 13 17 o 196.357 1.6471 386.663  4.4758  198.493 2.0266 194.221 2.5971 4.272659       3.294245 
1 1 1 12 13 19 o 153.116 1.5338 234.546  3.3190  153.513 2.1212 152.719 2.2159 0.7942505      3.067540 
1 1 1 12 13 21 o 298.463 2.3270 888.242  9.3990  295.217 2.7035 301.710 3.7881 -6.493744      4.653945 
1 1 1 12 13 23 o 226.554 1.9347 513.106  6.0741  225.518 2.4066 227.590 3.0299 -2.072403      3.869392 
1 1 1 12 13 25 o 252.160 2.0922 636.253  7.3891  251.673 2.7146 252.647 3.1843 -0.9736176     4.184407 
1 1 1 12 13 27 o 85.468  1.5448 73.314   1.8318  86.632  1.9163 84.304  2.4236 2.327293       3.089674 
1 1 1 12 13 29 o 48.290  2.1267 23.469   1.4189  49.225  2.5942 47.356  3.3708 1.869690       4.253498 
1 1 1 12 13 31 f 61.925  1.9681 38.358   1.7216  60.175  2.7588 63.674  2.8078 -3.498482      3.936294 
1 1 1 12 13 33 o 68.435  1.7538 46.343   1.6432  65.656  2.1395 71.214  2.7795 -5.557907      3.507543 
1 1 1 12 13 35 o 65.206  2.2264 42.347   1.9933  63.433  2.7178 66.978  3.5272 -3.545078      4.452808 
1 1 1 12 13 37 o 25.495  4.4892 6.9892   1.6380  28.840  5.2894 22.150  7.2550 6.690275       8.978467 
1 1 1 12 13 39 o 103.442 1.7589 108.176  2.4538  105.430 1.9985 101.454 2.8950 3.976021       3.517845 
1 1 1 12 13 41 o 61.567  2.0977 38.839   1.7787  66.167  2.5090 56.967  3.3625 9.200619       4.195407 
1 1 1 12 13 43 o 19.653  5.3039 1.8417   2.1786  21.500  6.5431 17.805  8.3494 3.694763       10.60781 
1 1 1 12 13 45 o 17.259  5.1560 1.1607   2.0318  14.172  6.1923 20.346  8.2458 -6.174261      10.31201 
1 1 1 12 13 47 o 18.238  4.8973 3.1036   1.7308  18.379  6.4453 18.097  7.3750 0.2815971      9.794514 
1 1 1 12 13 49 o 17.274  4.9997 1.7839   2.0707  19.793  7.4130 14.756  6.7107 5.036510       9.999331 
1 1 1 12 13 51 o 18.124  5.1538 3.6304   1.9500  16.400  6.5993 19.848  7.9180 -3.448427      10.30751 
1 1 1 12 14 0  o 341.745 3.5695 1168.46  24.391  341.745 3.5695 ?       ?      0.000000       0.000000 
1 1 1 12 14 2  o 534.289 3.4392 2856.01  25.983  538.349 4.8865 530.230 4.8409 8.118408       6.878381 
1 1 1 12 14 4  f 434.478 2.8939 1888.12  17.778  429.022 4.0779 439.934 4.1074 -10.91251      5.787881 
1 1 1 12 14 6  o 265.474 2.1005 704.998  7.8854  264.307 2.9955 266.641 2.9454 -2.333557      4.201024 
1 1 1 12 14 8  o 557.742 3.5172 3112.40  27.730  562.409 5.0407 553.076 4.9065 9.333008       7.034379 
1 1 1 12 14 10 o 438.925 3.0579 1926.83  18.813  440.349 4.6400 437.500 3.9843 2.849365       6.115869 
1 1 1 12 14 12 o 41.633  2.0097 17.601   1.1174  39.944  3.3568 43.322  2.2108 -3.378296      4.019434 
1 1 1 12 14 14 o 319.202 2.3248 1019.52  10.235  319.324 2.8394 319.081 3.6820 0.2425537      4.649617 
1 1 1 12 14 16 o 220.290 1.7940 485.213  5.4816  219.820 2.2366 220.759 2.8055 -0.9382172     3.587957 
1 1 1 12 14 18 o 225.086 2.0973 504.866  6.4196  222.258 2.4706 227.913 3.3898 -5.654907      4.194638 
1 1 1 12 14 20 o 49.550  1.9213 24.409   1.3135  48.330  2.3780 50.769  3.0184 -2.439411      3.842615 
1 1 1 12 14 22 o 167.930 1.5811 282.389  3.7022  168.679 2.0062 167.180 2.4443 1.499008       3.162220 
1 1 1 12 14 24 o 122.853 1.4928 150.879  2.5666  122.261 1.9323 123.446 2.2758 -1.185135      2.985508 
1 1 1 12 14 26 o 218.620 1.9187 479.303  5.8770  221.264 2.4817 215.977 2.9268 5.287613       3.837322 
1 1 1 12 14 28 o 201.452 1.8208 406.448  5.1435  201.819 2.3728 201.084 2.7625 0.7349854      3.641668 
1 1 1 12 14 30 o 92.065  2.0406 85.377   2.4720  93.276  2.1905 90.854  3.4436 2.421982       4.081275 
1 1 1 12 14 32 o 191.826 1.8008 368.495  4.7846  191.615 2.2326 192.037 2.8262 -0.4217834     3.601625 
1 1 1 12 14 34 f 53.352  2.2396 28.077   1.6625  46.916  3.1302 59.788  3.2038 -12.87196      4.479122 
1 1 1 12 14 36 o 115.788 1.5792 134.362  2.5855  117.302 2.2317 114.275 2.2350 3.026268       3.158442 
1 1 1 12 14 38 o 48.115  2.7397 23.788   1.8057  51.606  3.2169 44.624  4.4357 6.982025       5.479403 
1 1 1 12 14 40 o 20.817  6.0034 2.4507   2.2957  18.147  6.6835 23.486  9.9746 -5.339203      12.00680 
1 1 1 12 14 42 o 26.456  5.2678 7.6837   2.0157  26.681  6.5101 26.232  8.2836 0.4485531      10.53563 
1 1 1 12 14 44 o 19.683  4.9811 3.7430   1.7966  21.002  6.5741 18.364  7.4852 2.637850       9.962298 
1 1 1 12 14 46 o 19.434  5.4709 3.1619   2.1692  19.242  6.8422 19.627  8.5386 -0.3855858     10.94178 
1 1 1 12 14 48 f 27.752  5.1476 9.6691   2.1004  31.505  6.0949 23.999  8.2971 7.505585       10.29513 
1 1 1 12 14 50 o 35.542  5.1672 15.453   2.3083  34.201  5.2274 36.883  8.9148 -2.682308      10.33438 
1 1 1 12 15 1  o 233.266 1.9168 544.192  6.3154  233.757 2.7861 232.775 2.6333 0.9820099      3.833630 
1 1 1 12 15 3  o 288.422 2.2384 831.881  9.1266  285.568 3.1303 291.275 3.2005 -5.707581      4.476786 
1 1 1 12 15 5  f 297.379 2.2704 883.359  9.5148  301.753 3.3433 293.004 3.0726 8.748474       4.540743 
1 1 1 12 15 7  o 328.933 2.3130 1082.40  10.759  326.031 3.2901 331.834 3.2518 -5.803314      4.625959 
1 1 1 12 15 9  o 512.526 3.3654 2629.32  24.391  509.323 4.8014 515.729 4.7170 -6.405823      6.730812 
1 1 1 12 15 11 o 480.619 3.2129 2312.15  21.837  478.042 4.5680 483.196 4.5192 -5.154633      6.425735 
1 1 1 12 15 13 o 171.056 1.5441 292.573  3.7328  172.398 2.2222 169.713 2.1445 2.685394       3.088199 
1 1 1 12 15 15 o 63.857  1.8537 40.653   1.6208  64.603  2.9650 63.112  2.2258 1.491798       3.707483 
1 1 1 12 15 17 o 142.225 1.6031 201.810  3.2090  138.884 2.1608 145.566 2.3686 -6.681641      3.206141 
1 1 1 12 15 19 o 106.971 1.5854 114.722  2.3003  107.665 1.8384 106.277 2.5834 1.388008       3.170789 
1 1 1 12 15 21 o 291.473 2.2862 854.495  9.2102  297.279 2.7922 285.667 3.6209 11.61166       4.572447 
1 1 1 12 15 23 o 198.877 1.7231 396.408  4.7850  200.638 2.1958 197.116 2.6562 3.521606       3.446291 
1 1 1 12 15 25 o 101.450 1.4775 103.171  2.0897  102.431 1.8701 100.469 2.2879 1.961899       2.954924 
1 1 1 12 15 27 o 178.031 1.8020 317.524  4.5325  180.491 2.4763 175.572 2.6184 4.919617       3.603937 
1 1 1 12 15 29 o 88.673  1.7070 78.708   2.1347  88.426  2.3107 88.920  2.5132 -0.4941788     3.414003 
1 1 1 12 15 31 o 67.452  1.9455 45.653   1.8517  70.055  2.6432 64.849  2.8554 5.206345       3.890937 
1 1 1 12 15 33 o 197.968 1.8425 392.073  5.0827  195.956 2.3461 199.981 2.8416 -4.024902      3.684938 
1 1 1 12 15 35 o 62.003  2.1718 38.356   1.8181  60.869  2.5176 63.137  3.5396 -2.267849      4.343577 
1 1 1 12 15 37 o 54.295  2.8083 30.242   2.0897  57.984  3.3035 50.605  4.5423 7.379833       5.616544 
1 1 1 12 15 39 o 51.007  2.8070 26.457   1.9052  51.573  3.0951 50.441  4.6836 1.132076       5.613920 
1 1 1 12 15 41 o 15.563  4.7323 -0.0173  1.8701  13.983  6.1960 17.144  7.1545 -3.160569      9.464537 
1 1 1 12 15 43 o 19.935  4.9644 3.2436   1.9921  23.598  6.7136 16.271  7.3148 7.327469       9.928731 
1 1 1 12 15 45 o 34.342  5.1158 14.144   2.2714  39.186  4.7253 29.498  9.0751 9.688251       10.23163 
1 1 1 12 15 47 o 41.957  3.7879 18.798   2.1180  39.670  4.3458 44.245  6.2054 -4.575203      7.575828 
1 1 1 12 15 49 o 20.533  5.8230 4.9612   2.4247  18.282  7.2620 22.784  9.1047 -4.501778      11.64608 
1 1 1 12 16 0  o 153.595 2.4541 236.119  7.5344  153.595 2.4541 ?       ?      0.000000       0.000000 
1 1 1 12 16 2  o 262.633 2.1147 690.032  7.8536  260.359 3.0164 264.906 2.9647 -4.546295      4.229453 
1 1 1 12 16 4  o 550.812 3.5492 3036.73  27.646  551.684 5.0462 549.941 4.9925 1.743225       7.098487 
1 1 1 12 16 6  o 439.707 2.9838 1934.76  18.536  439.873 4.3257 439.541 4.1110 0.3324280      5.967576 
1 1 1 12 16 8  o 251.602 2.0124 633.863  7.1490  247.121 2.9455 256.082 2.7427 -8.961533      4.024719 
1 1 1 12 16 10 o 197.350 1.6241 389.283  4.5298  193.210 2.2803 201.490 2.3133 -8.279724      3.248225 
1 1 1 12 16 12 o 323.249 2.2487 1045.46  10.280  324.018 3.1923 322.479 3.1680 1.538422       4.497461 
1 1 1 12 16 14 o 92.448  1.5186 85.574   1.9711  91.790  2.2955 93.105  1.9888 -1.315887      3.037226 
1 1 1 12 16 16 o 179.291 1.6170 322.002  4.0705  177.559 2.4453 181.023 2.1163 -3.463547      3.233917 
1 1 1 12 16 18 o 192.510 2.2734 370.125  5.3998  191.833 2.1635 193.188 3.9992 -1.354675      4.546876 
1 1 1 12 16 20 o 286.783 2.3756 822.343  9.4396  285.264 2.9546 288.303 3.7207 -3.038940      4.751101 
1 1 1 12 16 22 o 214.162 1.9209 457.006  5.6499  210.834 2.3319 217.490 3.0532 -6.655701      3.841879 
1 1 1 12 16 24 o 105.488 1.6088 111.372  2.3837  105.614 2.1160 105.362 2.4241 0.2520294      3.217670 
1 1 1 12 16 26 o 155.252 1.7297 240.716  3.7860  151.068 2.3669 159.437 2.5230 -8.369171      3.459435 
1 1 1 12 16 28 o 49.372  2.4776 24.500   1.7216  48.138  3.7139 50.605  3.2805 -2.466774      4.955300 
1 1 1 12 16 30 o 51.395  2.3730 26.498   1.7240  52.327  3.2946 50.464  3.4162 1.863514       4.746055 
1 1 1 12 16 32 o 44.459  3.0306 20.040   1.8701  42.855  4.7678 46.063  3.7426 -3.208542      6.061220 
1 1 1 12 16 34 o 143.767 1.8849 207.058  3.7216  143.035 2.2766 144.499 3.0047 -1.464203      3.769819 
1 1 1 12 16 36 o 28.418  4.8447 8.1729   1.9052  34.868  7.0221 21.969  6.6765 12.89832       9.689449 
1 1 1 12 16 38 f 59.090  2.3072 35.596   1.8398  61.108  2.6122 57.072  3.8038 4.035683       4.614399 
1 1 1 12 16 40 o 29.384  4.7789 9.2887   1.8841  28.201  5.8557 30.566  7.5539 -2.364681      9.557715 
1 1 1 12 16 42 o 35.069  4.5463 13.236   2.0507  34.231  4.8498 35.907  7.6913 -1.675991      9.092665 
1 1 1 12 16 44 o 19.447  5.0570 3.6146   1.8701  20.828  7.0004 18.065  7.2998 2.762960       10.11394 
1 1 1 12 16 46 o 19.078  4.9528 3.7717   1.7308  19.168  6.4610 18.988  7.5083 0.1799965      9.905502 
1 1 1 12 16 48 o 26.425  5.3593 9.0435   2.0993  26.072  7.3032 26.778  7.8455 -0.7068005     10.71859 
1 1 1 12 16 50 o 16.298  4.8771 1.7939   2.0067  13.629  6.2296 18.968  7.5057 -5.339237      9.754149 
1 1 1 12 17 1  o 474.946 3.2616 2257.73  21.886  474.615 4.4933 475.277 4.7289 -0.6626587     6.523232 
1 1 1 12 17 3  o 613.260 3.8393 3765.60  33.296  616.064 5.4516 610.456 5.4075 5.608459       7.678640 
1 1 1 12 17 5  o 633.246 3.9462 4012.57  35.293  641.888 5.7097 624.604 5.4486 17.28400       7.892319 
1 1 1 12 17 7  o 257.044 2.0569 661.330  7.4656  254.867 3.0063 259.220 2.8080 -4.352646      4.113727 
1 1 1 12 17 9  o 417.264 2.8628 1742.90  16.884  415.643 4.1323 418.885 3.9632 -3.241455      5.725636 
1 1 1 12 17 11 o 93.271  1.5519 86.469   2.0113  95.937  2.3960 90.605  1.9732 5.332695       3.103892 
1 1 1 12 17 13 o 105.896 1.5280 111.898  2.2123  106.765 2.4520 105.027 1.8238 1.737640       3.055918 
1 1 1 12 17 15 o 107.086 1.4591 113.534  2.1469  110.985 2.3012 103.186 1.7945 7.798943       2.918186 
1 1 1 12 17 17 o 133.443 1.7111 178.345  3.2216  135.192 2.3142 131.694 2.5212 3.497620       3.422278 
1 1 1 12 17 19 o 215.374 1.9971 465.219  6.0631  221.766 2.6776 208.982 2.9637 12.78484       3.994118 
1 1 1 12 17 21 o 79.032  1.8092 62.460   1.9865  78.756  2.2701 79.308  2.8178 -0.5521088     3.618477 
1 1 1 12 17 23 o 248.675 2.1001 617.456  7.2179  245.992 2.5956 251.357 3.3023 -5.365158      4.200291 
1 1 1 12 17 25 o 98.057  1.8470 96.483   2.5524  100.762 2.4713 95.351  2.7455 5.411003       3.693939 
1 1 1 12 17 27 o 93.783  1.5945 88.009   2.0897  94.013  2.4450 93.554  2.0475 0.4581528      3.189086 
1 1 1 12 17 29 o 136.301 1.7718 185.072  3.2865  134.065 2.0956 138.538 2.8575 -4.473022      3.543545 
1 1 1 12 17 31 o 114.113 1.9360 130.268  2.9318  113.532 2.1371 114.695 3.2288 -1.163673      3.872048 
1 1 1 12 17 33 o 100.351 1.5997 101.010  2.2626  101.093 2.1474 99.609  2.3717 1.483482       3.199476 
1 1 1 12 17 35 o 64.708  2.1306 42.102   1.9469  65.848  2.9090 63.569  3.1137 2.279278       4.261183 
1 1 1 12 17 37 o 55.491  2.5243 31.064   1.9773  58.121  3.5155 52.862  3.6236 5.258430       5.048666 
1 1 1 12 17 39 o 50.038  3.2112 25.142   2.0870  48.285  3.4381 51.791  5.4246 -3.505604      6.422368 
1 1 1 12 17 41 o 15.950  4.8346 0.3894   1.9344  14.684  6.4210 17.215  7.2293 -2.530740      9.669123 
1 1 1 12 17 43 o 35.036  3.9444 13.413   1.8787  37.327  4.7896 32.745  6.2684 4.582062       7.888801 
1 1 1 12 17 45 o 15.731  4.7411 0.9115   1.8318  14.654  6.2946 16.808  7.0915 -2.153692      9.482128 
1 1 1 12 17 47 o 35.765  5.1249 15.542   2.4732  37.304  5.8196 34.227  8.4375 3.077057       10.24980 
1 1 1 12 17 49 o 25.379  5.7426 9.0038   2.2321  23.280  7.2144 27.478  8.9364 -4.198067      11.48512 
1 1 1 12 18 0  o 7.4131  5.3388 -4.8526  3.4479  7.4131  5.3388 ?       ?      0.000000       0.000000 
1 1 1 12 18 2  o 273.049 2.2249 742.767  8.5137  280.343 3.3480 265.754 2.9312 14.58899       4.449863 
1 1 1 12 18 4  o 194.562 1.8920 378.762  5.2021  195.466 2.6133 193.658 2.7366 1.807709       3.783908 
1 1 1 12 18 6  o 299.137 2.2900 896.042  9.6606  296.355 3.3826 301.918 3.0876 -5.562622      4.579908 
1 1 1 12 18 8  o 345.626 2.5212 1195.54  12.323  346.458 3.5569 344.795 3.5740 1.662689       5.042352 
1 1 1 12 18 10 o 379.107 2.6934 1439.17  14.420  376.966 3.9296 381.248 3.6845 -4.281769      5.386784 
1 1 1 12 18 12 o 217.675 1.8787 474.137  5.7698  217.391 2.7609 217.958 2.5486 -0.5667572     3.757409 
1 1 1 12 18 14 o 155.233 1.6686 241.328  3.5991  154.525 2.6032 155.940 2.0882 -1.414917      3.337250 
1 1 1 12 18 16 o 37.692  3.2593 14.260   1.7027  37.429  5.1178 37.955  4.0374 -0.5263672     6.518625 
1 1 1 12 18 18 o 172.420 1.8227 295.553  4.2724  175.826 2.9415 169.015 2.1534 6.810898       3.645445 
1 1 1 12 18 20 o 281.194 2.6907 789.099  10.319  277.824 3.1945 284.565 4.3305 -6.740662      5.381312 
1 1 1 12 18 22 o 238.682 2.1865 569.976  7.3514  236.734 2.9399 240.630 3.2372 -3.896042      4.372937 
1 1 1 12 18 24 o 201.503 2.2458 406.467  6.3442  200.331 2.9323 202.676 3.4024 -2.344635      4.491614 
1 1 1 12 18 26 o 94.867  2.0336 89.963   2.4802  94.503  2.0945 95.231  3.4865 -0.7285690     4.067244 
1 1 1 12 18 28 o 124.618 1.8466 154.776  3.1331  122.681 2.1859 126.556 2.9767 -3.874619      3.693103 
1 1 1 12 18 30 o 186.217 1.8179 348.039  4.7086  187.426 2.2825 185.007 2.8300 2.419449       3.635762 
1 1 1 12 18 32 o 115.513 1.6440 133.806  2.6756  115.886 2.2039 115.141 2.4400 0.7458420      3.287965 
1 1 1 12 18 34 o 44.113  3.2443 19.717   1.9986  43.354  5.0075 44.873  4.1265 -1.519119      6.488653 
1 1 1 12 18 36 o 87.476  1.9139 76.992   2.3556  88.049  2.5381 86.903  2.8655 1.146149       3.827894 
1 1 1 12 18 38 o 12.505  4.0176 -4.3418  1.7787  15.372  6.4342 9.6383  4.8130 5.733261       8.035124 
1 1 1 12 18 40 o 55.143  2.6204 31.095   2.0432  54.622  3.7407 55.664  3.6706 -1.042118      5.240812 
1 1 1 12 18 42 o 58.868  2.8386 36.159   2.2117  60.196  3.0761 57.540  4.7716 2.655960       5.677159 
1 1 1 12 18 44 o 24.639  5.8724 7.1076   2.3188  22.280  7.3790 26.998  9.1373 -4.717419      11.74480 
1 1 1 12 18 46 o 18.332  4.9362 2.6336   1.9427  13.902  6.2756 22.763  7.6210 -8.860423      9.872327 
1 1 1 12 18 48 o 18.960  5.2693 4.1945   2.0629  17.523  7.0732 20.398  7.8124 -2.874916      10.53869 
1 1 1 12 19 1  o 170.229 1.8963 289.812  4.5633  172.084 2.7086 168.374 2.6545 3.710114       3.792501 
1 1 1 12 19 3  o 556.442 3.9533 3099.88  30.727  558.965 6.0656 553.919 5.0719 5.045715       7.906686 
1 1 1 12 19 5  o 604.461 3.9419 3661.14  33.644  605.332 5.7487 603.590 5.3950 1.742249       7.883735 
1 1 1 12 19 7  o 230.762 1.9380 533.035  6.3206  227.773 2.8033 233.752 2.6769 -5.979156      3.876094 
1 1 1 12 19 9  o 250.830 2.0162 629.547  7.1490  251.031 2.8996 250.630 2.8024 0.4014893      4.032498 
1 1 1 12 19 11 o 298.876 2.2684 893.012  9.5350  301.742 3.3857 296.010 3.0199 5.732147       4.536787 
1 1 1 12 19 13 o 204.201 1.9587 417.901  5.5601  202.809 3.0539 205.593 2.4535 -2.783997      3.917345 
1 1 1 12 19 15 o 71.053  2.0080 50.150   1.9702  73.112  3.1440 68.994  2.4987 4.117226       4.015980 
1 1 1 12 19 17 o 101.530 1.7631 101.567  2.4312  106.203 2.8257 96.858  2.1095 9.344574       3.526264 
1 1 1 12 19 19 o 143.682 1.7916 206.643  3.6384  144.128 2.4809 143.235 2.5855 0.8930054      3.583213 
1 1 1 12 19 21 o 125.915 1.7948 158.824  3.1912  124.087 2.6243 127.743 2.4492 -3.655945      3.589619 
1 1 1 12 19 23 o 147.646 1.6828 218.222  3.5071  147.479 2.2946 147.813 2.4622 -0.3337708     3.365677 
1 1 1 12 19 25 o 80.593  1.8523 65.131   2.1051  79.204  2.7409 81.983  2.4922 -2.779755      3.704584 
1 1 1 12 19 27 o 124.063 2.0524 155.592  3.3957  126.914 2.2639 121.211 3.4240 5.703239       4.104783 
1 1 1 12 19 29 o 81.932  1.8460 67.281   2.1385  82.630  2.6273 81.233  2.5938 1.396729       3.691959 
1 1 1 12 19 31 o 60.266  2.3245 36.522   1.9794  61.749  3.2055 58.783  3.3673 2.966534       4.649033 
1 1 1 12 19 33 o 47.119  3.4191 22.535   2.2626  48.632  4.4640 45.605  5.1802 3.026154       6.838282 
1 1 1 12 19 35 o 53.007  2.7323 28.348   2.0253  53.615  4.1682 52.400  3.5337 1.215652       5.464502 
1 1 1 12 19 37 o 46.687  3.1514 22.533   2.0412  42.486  4.9594 50.887  3.8897 -8.401196      6.302806 
1 1 1 12 19 39 o 27.543  4.7040 8.3543   1.8147  25.209  6.7159 29.877  6.5883 -4.667830      9.407941 
1 1 1 12 19 41 o 17.814  5.0717 2.0047   2.0108  16.083  6.9468 19.546  7.3913 -3.462952      10.14344 
1 1 1 12 19 43 o 21.365  5.5197 4.9766   2.1913  22.291  7.6210 20.439  7.9867 1.851957       11.03935 
1 1 1 12 19 45 o 16.706  4.9006 1.8751   1.9134  16.088  6.8904 17.325  6.9704 -1.236841      9.801233 
1 1 1 12 19 47 o 13.945  4.4837 -1.2132  2.0113  14.977  6.4840 12.913  6.1945 2.063766       8.967399 
1 1 1 12 20 0  o 400.818 4.1587 1608.14  33.330  400.818 4.1587 ?       ?      0.000000       0.000000 
1 1 1 12 20 2  o 349.621 2.5251 1223.45  12.476  350.316 3.6453 348.926 3.4951 1.390289       5.050169 
1 1 1 12 20 4  o 204.769 1.9531 419.624  5.6419  204.375 2.8743 205.164 2.6453 -0.7893829     3.906298 
1 1 1 12 20 6  o 100.987 1.7009 102.013  2.4196  101.174 2.5244 100.800 2.2804 0.3742294      3.401860 
1 1 1 12 20 8  o 92.708  1.5387 86.137   2.0067  91.225  2.3097 94.191  2.0337 -2.965302      3.077442 
1 1 1 12 20 10 o 108.448 1.6215 117.850  2.4081  107.881 2.6042 109.016 1.9328 -1.134895      3.243077 
1 1 1 12 20 12 o 281.858 2.4091 795.352  9.5261  281.913 3.6465 281.803 3.1494 0.1097107      4.818275 
1 1 1 12 20 14 o 153.481 2.4794 236.160  4.9546  153.940 2.6131 153.023 4.2143 0.9169159      4.958713 
1 1 1 12 20 16 o 179.899 1.9912 324.965  5.0369  174.533 2.9998 185.265 2.6193 -10.73161      3.982432 
1 1 1 12 20 18 o 117.854 1.6854 139.031  2.7155  117.759 2.7111 117.948 2.0030 -0.1891556     3.370716 
1 1 1 12 20 20 o 191.081 1.7768 365.929  4.7752  189.182 2.6663 192.980 2.3492 -3.797592      3.553552 
1 1 1 12 20 22 o 129.977 1.6911 167.847  2.9318  132.451 2.7960 127.503 1.9030 4.948555       3.382129 
1 1 1 12 20 24 o 94.810  1.7859 89.990   2.3940  96.358  2.5180 93.263  2.5331 3.094658       3.571718 
1 1 1 12 20 26 o 58.426  2.0871 34.224   1.7240  57.552  2.9955 59.300  2.9072 -1.748550      4.174286 
1 1 1 12 20 28 o 69.682  2.0879 48.832   2.0253  70.573  2.6238 68.791  3.2486 1.782097       4.175845 
1 1 1 12 20 30 o 89.261  1.8728 79.872   2.3556  89.961  2.7681 88.561  2.5234 1.399185       3.745633 
1 1 1 12 20 32 o 17.729  4.6384 2.4732   1.5585  16.859  6.6650 18.599  6.4526 -1.740528      9.276809 
1 1 1 12 20 34 o 65.452  2.1723 43.066   2.0067  63.912  2.9971 66.991  3.1453 -3.078136      4.344598 
1 1 1 12 20 36 o 72.920  2.0433 53.634   2.1071  72.482  2.9070 73.358  2.8723 -0.8756180     4.086672 
1 1 1 12 20 38 o 26.784  5.1496 7.9641   2.0108  28.549  7.1626 25.018  7.4007 3.530893       10.29921 
1 1 1 12 20 40 o 16.138  4.8256 0.6846   1.9344  16.970  6.8402 15.305  6.8085 1.664447       9.651155 
1 1 1 12 20 42 o 28.874  5.2748 10.099   2.1987  31.710  6.8397 26.038  8.0319 5.671877       10.54952 
1 1 1 12 20 44 o 19.486  5.0781 4.0396   1.8815  20.642  6.8695 18.330  7.4806 2.312056       10.15625 
1 1 1 12 20 46 o 16.082  4.9397 1.4440   1.9646  14.611  6.2205 17.553  7.6751 -2.942430      9.879333 
1 1 1 12 21 1  o 104.210 1.7108 108.362  2.5120  107.055 2.5050 101.364 2.3307 5.690987       3.421550 
1 1 1 12 21 3  o 231.042 2.0230 534.281  6.6084  234.758 2.8286 227.326 2.8930 7.432266       4.046075 
1 1 1 12 21 5  o 228.055 2.1363 520.500  6.8103  227.892 2.7458 228.219 3.2734 -0.3270874     4.272500 
1 1 1 12 21 7  o 163.503 1.8917 267.489  4.3717  162.880 2.6265 164.125 2.7233 -1.244370      3.783434 
1 1 1 12 21 9  o 50.372  2.7385 25.425   1.9427  50.114  4.0771 50.629  3.6573 -0.5145683     5.477099 
1 1 1 12 21 11 o 229.325 2.2216 526.851  7.1512  227.987 3.3607 230.663 2.9065 -2.675690      4.443253 
1 1 1 12 21 13 o 191.969 2.1721 368.566  5.8180  191.025 2.7743 192.913 3.3429 -1.888901      4.344156 
1 1 1 12 21 15 o 309.286 2.5435 958.234  11.080  309.166 3.7794 309.406 3.4050 -0.2400513     5.087049 
1 1 1 12 21 17 o 419.339 3.1107 1761.39  18.328  422.780 4.6667 415.897 4.1145 6.884003       6.221469 
1 1 1 12 21 19 f 205.343 1.9655 422.829  5.6475  203.702 3.0091 206.984 2.5295 -3.281204      3.931076 
1 1 1 12 21 21 o 114.528 1.6454 130.909  2.6033  115.932 2.5886 113.124 2.0319 2.808258       3.290812 
1 1 1 12 21 23 o 87.491  2.0412 75.687   2.3576  90.084  3.4022 84.897  2.2563 5.186897       4.082357 
1 1 1 12 21 25 o 54.408  2.9886 29.754   2.2968  54.416  4.1069 54.400  4.3428 0.1554108E-01  5.977116 
1 1 1 12 21 27 o 90.193  1.8776 81.553   2.3940  88.214  2.6781 92.172  2.6324 -3.958084      3.755221 
1 1 1 12 21 29 o 73.613  2.2999 54.450   2.3940  74.346  3.2636 72.881  3.2415 1.464767       4.599835 
1 1 1 12 21 31 o 85.242  2.0392 72.955   2.4578  86.399  2.8822 84.086  2.8855 2.312744       4.078387 
1 1 1 12 21 33 o 60.585  2.4146 36.818   1.9714  61.438  3.9492 59.733  2.7792 1.705521       4.829126 
1 1 1 12 21 35 o 26.237  5.3921 7.4276   2.0813  26.137  8.4061 26.338  6.7556 -0.2013206     10.78428 
1 1 1 12 21 37 o 26.634  5.1682 7.8688   1.9986  26.282  7.7430 26.987  6.8476 -0.7044144     10.33649 
1 1 1 12 21 39 o 24.933  6.2819 6.5921   2.7879  23.712  9.8857 26.154  7.7537 -2.441830      12.56372 
1 1 1 12 21 41 o 25.052  5.9300 7.5249   2.5666  27.760  8.0452 22.345  8.7140 5.414190       11.85998 
1 1 1 12 21 43 o 16.471  5.0995 0.5756   2.2555  15.266  6.7992 17.677  7.6019 -2.411138      10.19890 
1 1 1 12 21 45 o 21.026  5.4755 5.4273   2.2348  23.972  7.9703 18.080  7.5098 5.892229       10.95090 
1 1 1 12 22 0  o 195.296 2.9112 381.826  11.365  195.296 2.9112 ?       ?      0.000000       0.000000 
1 1 1 12 22 2  o 118.059 1.9912 139.243  3.3006  119.539 2.9912 116.579 2.6290 2.959969       3.982300 
1 1 1 12 22 4  o 168.300 1.8309 283.962  4.3268  165.941 2.7704 170.659 2.3945 -4.717682      3.661795 
1 1 1 12 22 6  o 181.174 1.9252 328.871  4.8958  179.632 2.9147 182.716 2.5161 -3.083649      3.850450 
1 1 1 12 22 8  o 111.145 1.8093 124.310  2.7731  108.637 2.8799 113.652 2.1910 -5.014908      3.618649 
1 1 1 12 22 10 o 115.569 1.9125 132.825  2.9039  117.204 3.2142 113.933 2.0736 3.271606       3.825009 
1 1 1 12 22 12 o 171.944 2.1315 295.445  5.0351  173.067 3.3942 170.821 2.5791 2.245239       4.262919 
1 1 1 12 22 14 o 58.763  2.5401 34.914   1.9454  57.547  4.3272 59.980  2.6613 -2.433674      5.080106 
1 1 1 12 22 16 o 108.001 1.7628 116.194  2.5386  109.308 2.9207 106.693 1.9749 2.615173       3.525686 
1 1 1 12 22 18 o 144.348 2.0765 208.865  3.8805  144.092 3.5450 144.604 2.1636 -0.5121918     4.153082 
1 1 1 12 22 20 o 114.707 1.9933 128.451  3.0572  122.150 3.2409 107.264 2.3215 14.88643       3.986570 
1 1 1 12 22 22 o 171.425 2.1006 293.877  4.9278  172.528 3.3678 170.322 2.5117 2.205353       4.201270 
1 1 1 12 22 24 o 147.721 2.5770 216.777  4.5401  149.926 4.5995 145.516 2.3256 4.410538       5.153994 
1 1 1 12 22 26 o 99.318  2.0650 99.212   2.7377  98.615  3.4316 100.021 2.2981 -1.405617      4.130054 
1 1 1 12 22 28 o 64.010  2.9321 41.615   2.3944  62.943  5.0721 65.078  2.9434 -2.135380      5.864300 
1 1 1 12 22 30 o 87.225  2.9122 75.983   3.2842  88.899  4.9558 85.551  3.0600 3.348595       5.824405 
1 1 1 12 22 32 o 52.186  4.1267 27.518   2.8366  53.720  6.8938 50.652  4.5380 3.067566       8.253349 
1 1 1 12 22 34 o 55.005  3.1182 30.752   2.4112  56.658  4.6205 53.353  4.1887 3.305435       6.236476 
1 1 1 12 22 36 o 19.572  5.0019 2.8605   1.8964  24.456  7.7191 14.688  6.3632 9.768170       10.00376 
1 1 1 12 22 38 o 17.188  4.8144 2.0897   1.7553  18.508  7.0170 15.867  6.5936 2.640432       9.628811 
1 1 1 12 22 40 o 20.107  5.5808 3.6359   2.1213  16.866  6.6660 23.348  8.9524 -6.482025      11.16153 
1 1 1 12 22 42 o 14.629  4.5792 -0.3052  1.8701  16.371  7.0058 12.887  5.8988 3.483361       9.158438 
1 1 1 12 22 44 o 16.679  5.0954 1.6731   2.1802  16.312  6.9354 17.046  7.4669 -0.7341690     10.19089 
1 1 1 12 23 1  o 224.017 1.8844 502.211  5.9698  222.479 2.6691 225.555 2.6610 -3.076447      3.768899 
1 1 1 12 23 3  o 320.152 2.5038 1026.59  11.333  317.815 3.5962 322.489 3.4847 -4.674377      5.007543 
1 1 1 12 23 5  o 81.018  1.8105 65.560   2.0707  83.774  2.5914 78.263  2.5291 5.510948       3.621033 
1 1 1 12 23 7  o 211.392 2.0449 447.272  5.9690  211.485 3.2305 211.299 2.5081 0.1863861      4.089815 
1 1 1 12 23 9  o 238.606 2.2720 570.253  7.6573  239.725 3.1163 237.487 3.3070 2.237411       4.543921 
1 1 1 12 23 11 o 49.353  2.4658 24.678   1.6770  46.951  3.9438 51.754  2.9610 -4.802208      4.931610 
1 1 1 12 23 13 o 114.263 1.8148 130.602  2.8459  114.553 2.8984 113.973 2.1849 0.5803680      3.629658 
1 1 1 12 23 15 o 129.561 1.7712 167.274  3.1533  131.731 2.8113 127.392 2.1552 4.339081       3.542351 
1 1 1 12 23 17 o 93.567  1.7715 87.754   2.2117  93.304  2.9426 93.829  1.9734 -0.5250244     3.543062 
1 1 1 12 23 19 o 98.452  1.7856 97.162   2.4081  98.045  2.8654 98.858  2.1314 -0.8134689     3.571221 
1 1 1 12 23 21 o 112.011 1.8973 125.126  2.8698  113.427 3.0961 110.595 2.1939 2.832382       3.794562 
1 1 1 12 23 23 o 117.298 1.8499 137.917  2.8651  117.241 3.1043 117.355 2.0131 -0.1138992     3.699861 
1 1 1 12 23 25 o 60.551  2.8142 36.768   2.2520  60.997  4.7105 60.106  3.0807 0.8914146      5.628459 
1 1 1 12 23 27 o 94.409  1.8880 89.155   2.5120  97.432  2.7524 91.385  2.5852 6.047234       3.776082 
1 1 1 12 23 29 o 57.126  2.4497 32.832   1.9773  58.510  3.4921 55.742  3.4364 2.768353       4.899309 
1 1 1 12 23 31 o 74.170  2.4782 55.290   2.5383  72.973  3.0625 75.368  3.8971 -2.394493      4.956378 
1 1 1 12 23 33 o 97.042  2.0246 95.029   2.7771  96.177  2.9211 97.907  2.8043 -1.730385      4.049275 
1 1 1 12 23 35 o 28.097  4.9028 8.7980   2.1156  21.577  8.0952 34.617  5.5334 -13.04028      9.805692 
1 1 1 12 23 37 o 39.872  3.7759 16.798   2.0587  39.997  6.0663 39.748  4.4979 0.2487755      7.551888 
1 1 1 12 23 39 o 19.275  5.3806 2.8881   2.2566  17.783  7.8571 20.767  7.3531 -2.984016      10.76114 
1 1 1 12 23 41 o 21.139  5.3758 5.0884   2.0629  20.461  7.8195 21.816  7.3790 -1.354954      10.75150 
1 1 1 12 23 43 o 15.380  4.8916 -0.1478  2.2275  13.909  6.4287 16.850  7.3745 -2.940557      9.783220 
1 1 1 12 23 45 o 19.919  5.4972 5.1755   2.2056  18.590  7.3004 21.247  8.2207 -2.657356      10.99433 
1 1 1 12 24 0  o 89.643  2.4972 80.579   4.4695  89.643  2.4972 ?       ?      0.000000       0.000000 
1 1 1 12 24 2  o 196.822 1.8821 387.862  5.2326  195.795 2.7393 197.848 2.5818 -2.052826      3.764242 
1 1 1 12 24 4  o 112.611 1.9862 126.985  3.1603  109.210 2.8648 116.011 2.7519 -6.801590      3.972431 
1 1 1 12 24 6  o 172.192 1.9689 296.504  4.7675  170.739 2.6178 173.644 2.9417 -2.904755      3.937771 
1 1 1 12 24 8  o 164.919 2.0344 272.565  4.6939  165.845 2.6180 163.993 3.1148 1.852066       4.068895 
1 1 1 12 24 10 o 22.982  5.3760 5.0342   1.9933  23.655  8.1863 22.310  6.9708 1.344959       10.75210 
1 1 1 12 24 12 o 149.295 1.8761 223.291  3.9577  147.838 2.7209 150.753 2.5836 -2.914886      3.752148 
1 1 1 12 24 14 o 68.964  2.0980 47.321   2.0113  71.123  3.2319 66.804  2.6762 4.319435       4.196086 
1 1 1 12 24 16 f 184.422 1.9263 340.858  4.9958  183.385 2.8899 185.460 2.5477 -2.074677      3.852543 
1 1 1 12 24 18 o 256.962 2.2824 662.186  8.0347  256.453 3.6599 257.471 2.7279 -1.017853      4.564707 
1 1 1 12 24 20 o 212.959 2.6055 457.635  7.1775  210.521 4.4585 215.397 2.6975 -4.875854      5.211013 
1 1 1 12 24 22 f 135.766 1.9703 187.272  3.6494  129.490 3.2051 142.043 2.2925 -12.55246      3.940601 
1 1 1 12 24 24 o 94.781  1.7971 90.494   2.3906  91.166  2.7315 98.396  2.3361 -7.229828      3.594204 
1 1 1 12 24 26 o 143.833 1.9155 207.760  3.8036  143.263 3.0307 144.402 2.3435 -1.139069      3.831045 
1 1 1 12 24 28 o 58.601  2.0924 34.671   1.7240  54.951  3.1373 62.251  2.7694 -7.300152      4.184707 
1 1 1 12 24 30 o 91.647  1.9711 84.538   2.5540  90.462  2.8233 92.831  2.7513 -2.368790      3.942136 
1 1 1 12 24 32 o 88.328  2.1982 78.821   2.7441  85.965  3.1196 90.691  3.0978 -4.726524      4.396363 
1 1 1 12 24 34 o 48.350  3.0920 24.099   2.0993  47.801  4.6751 48.898  4.0479 -1.097130      6.184025 
1 1 1 12 24 36 o 62.669  2.6010 40.456   2.2915  62.008  3.9129 63.330  3.4279 -1.322067      5.202087 
1 1 1 12 24 38 o 27.976  5.4120 9.4277   2.1987  27.304  7.4934 28.648  7.8107 -1.344763      10.82396 
1 1 1 12 24 40 o 35.407  5.0225 14.941   2.4263  35.222  7.1377 35.593  7.0681 -0.3704834     10.04509 
1 1 1 12 24 42 o 21.212  5.2495 5.6544   1.9427  20.377  7.2281 22.047  7.6147 -1.670500      10.49903 
1 1 1 12 24 44 o 16.979  5.2147 1.9089   2.3882  17.766  7.2549 16.192  7.4925 1.574394       10.42937 
1 1 1 12 25 1  o 70.223  2.5719 49.404   2.5524  69.773  3.5690 70.674  3.7041 -0.9017792     5.143755 
1 1 1 12 25 3  f 49.358  3.0184 24.414   2.1051  48.004  4.2563 50.712  4.2809 -2.707497      6.036736 
1 1 1 12 25 5  o 131.985 1.9531 174.486  3.6294  132.333 2.6055 131.637 2.9103 0.6962738      3.906213 
1 1 1 12 25 7  o 167.216 2.0941 279.804  4.9317  168.784 3.1020 165.648 2.8139 3.136337       4.188128 
1 1 1 12 25 9  o 105.468 1.9496 111.751  2.8222  104.266 3.1231 106.670 2.3345 -2.403252      3.899192 
1 1 1 12 25 11 o 80.859  2.0139 64.945   2.2543  83.642  3.1298 78.075  2.5352 5.567528       4.027801 
1 1 1 12 25 13 o 74.361  2.6143 56.257   2.4294  72.378  4.5873 76.344  2.5091 -3.965675      5.228667 
1 1 1 12 25 15 o 107.312 2.0231 114.932  2.9358  108.439 3.2973 106.185 2.3451 2.254097       4.046238 
1 1 1 12 25 17 o 48.037  3.1971 23.685   2.0761  44.750  5.2793 51.324  3.6078 -6.573765      6.394290 
1 1 1 12 25 19 o 58.305  3.0753 34.449   2.3384  57.350  5.2328 59.261  3.2324 -1.910870      6.150597 
1 1 1 12 25 21 o 38.483  5.2422 15.014   2.2925  39.290  9.5134 37.675  4.4063 1.614723       10.48431 
1 1 1 12 25 23 o 39.755  4.0928 16.267   2.0507  39.401  7.0621 40.110  4.1389 -0.7091026     8.185601 
1 1 1 12 25 25 o 21.314  4.7288 4.1370   1.6625  26.658  7.0689 15.970  6.2829 10.68784       9.457505 
1 1 1 12 25 27 o 33.717  3.9148 11.689   1.7057  34.127  6.5967 33.307  4.2175 0.8203392      7.829669 
1 1 1 12 25 29 o 48.647  2.9708 24.014   2.0412  50.527  4.1702 46.768  4.2323 3.758717       5.941649 
1 1 1 12 25 31 o 28.340  4.4478 8.6814   1.8192  34.800  5.3209 21.880  7.1288 12.91982       8.895593 
1 1 1 12 25 33 o 50.485  3.0452 26.325   2.1690  49.805  4.4870 51.164  4.1182 -1.359608      6.090433 
1 1 1 12 25 35 o 35.327  4.7410 14.216   2.2447  31.390  7.9265 39.264  5.2037 -7.874039      9.482024 
1 1 1 12 25 37 o 55.920  2.6970 32.099   2.1004  60.398  4.0172 51.443  3.5995 8.955109       5.393919 
1 1 1 12 25 39 o 48.928  3.5676 26.034   2.4545  47.527  5.3738 50.329  4.6940 -2.801907      7.135228 
1 1 1 12 25 41 o 34.652  4.2767 14.115   2.0412  31.793  6.4505 37.511  5.6171 -5.718126      8.553416 
1 1 1 12 25 43 o 19.791  5.4663 4.8964   2.3091  21.667  7.7080 17.915  7.7529 3.751705       10.93253 
1 1 1 12 26 0  o 232.362 3.4641 540.941  16.090  232.362 3.4641 ?       ?      0.000000       0.000000 
1 1 1 12 26 2  o 102.156 2.0984 104.166  3.0164  105.361 3.0907 98.951  2.8392 6.410599       4.196831 
1 1 1 12 26 4  o 62.037  3.2340 40.273   2.5109  57.094  5.7035 66.980  3.0505 -9.886219      6.468063 
1 1 1 12 26 6  o 236.852 2.6710 562.972  8.4533  236.434 4.4289 237.270 2.9871 -0.8367004     5.342092 
1 1 1 12 26 8  o 251.676 2.5749 633.789  8.9283  253.699 4.0772 249.654 3.1458 4.044998       5.149704 
1 1 1 12 26 10 o 219.691 2.2166 481.860  6.7711  223.303 3.4312 216.079 2.8072 7.224014       4.433256 
1 1 1 12 26 12 o 110.214 1.9920 121.474  3.0701  111.297 3.0406 109.132 2.5743 2.165527       3.984011 
1 1 1 12 26 14 o 105.895 1.8431 111.824  2.6921  107.738 2.9040 104.052 2.2705 3.685341       3.686192 
1 1 1 12 26 16 o 34.906  4.5366 12.532   2.1240  34.960  7.3549 34.851  5.3131 0.1091957      9.073185 
1 1 1 12 26 18 o 69.392  2.2770 48.748   2.1802  66.881  3.6278 71.903  2.7528 -5.021713      4.554009 
1 1 1 12 26 20 o 113.887 1.8845 130.518  2.9521  112.497 3.0081 115.277 2.2709 -2.780418      3.769093 
1 1 1 12 26 22 o 128.459 1.7820 165.500  3.1988  128.425 2.7345 128.492 2.2858 -0.6665039E-01 3.564056 
1 1 1 12 26 24 o 97.957  2.0746 96.597   2.6919  97.410  3.4741 98.505  2.2687 -1.094986      4.149227 
1 1 1 12 26 26 o 44.803  3.2589 20.828   1.9052  42.398  5.5721 47.209  3.3813 -4.810944      6.517795 
1 1 1 12 26 28 f 40.167  4.9506 18.723   2.1424  34.279  9.2747 46.055  3.4660 -11.77611      9.901204 
1 1 1 12 26 30 o 35.563  4.2393 13.426   2.0746  33.654  6.4927 37.471  5.4527 -3.817532      8.478658 
1 1 1 12 26 32 o 31.884  4.5490 11.302   1.9794  30.375  6.6966 33.393  6.1587 -3.018003      9.098043 
1 1 1 12 26 34 o 27.015  5.2503 8.5521   2.0761  25.189  8.1948 28.841  6.5656 -3.651417      10.50057 
1 1 1 12 26 36 o 45.673  3.5422 21.837   2.2348  50.981  5.2603 40.366  4.7454 10.61491       7.084455 
1 1 1 12 26 38 o 23.978  5.3939 6.9931   2.1385  20.667  7.7589 27.290  7.4950 -6.623150      10.78775 
1 1 1 12 26 40 o 14.961  4.8160 -0.5655  2.2183  15.956  7.1942 13.966  6.4046 1.990478       9.632034 
1 1 1 12 26 42 o 13.868  4.5049 -1.0707  2.0629  14.698  6.5196 13.037  6.2187 1.661217       9.009867 
1 1 1 12 27 1  o 277.769 2.7089 774.358  10.631  284.185 3.7297 271.353 3.9296 12.83160       5.417746 
1 1 1 12 27 3  o 226.094 2.5298 510.637  7.9982  221.492 3.2863 230.697 3.8471 -9.205078      5.059683 
1 1 1 12 27 5  o 126.065 2.2055 159.316  3.9203  126.784 2.9713 125.346 3.2601 1.438393       4.411034 
1 1 1 12 27 7  o 41.209  3.6972 17.175   2.1347  39.494  5.6585 42.924  4.7600 -3.430542      7.394363 
1 1 1 12 27 9  o 146.390 2.0972 214.725  4.3409  144.825 2.9539 147.956 2.9777 -3.131012      4.194315 
1 1 1 12 27 11 o 161.737 2.1916 262.273  5.0104  162.124 3.1507 161.351 3.0471 0.7728729      4.383101 
1 1 1 12 27 13 o 67.635  2.7941 46.858   2.5193  64.088  4.6825 71.181  3.0499 -7.092339      5.588193 
1 1 1 12 27 15 o 44.058  3.9801 19.947   2.4112  40.903  6.4001 47.213  4.7334 -6.309673      7.960295 
1 1 1 12 27 17 o 38.381  4.4643 16.154   2.0507  33.717  8.0528 43.045  3.8567 -9.328236      8.928667 
1 1 1 12 27 19 o 34.417  4.9743 12.532   2.3469  31.481  8.0744 37.353  5.8118 -5.872650      9.948556 
1 1 1 12 27 21 o 100.365 2.0471 100.823  2.8964  94.629  2.9014 106.100 2.8886 -11.47141      4.094170 
1 1 1 12 27 23 o 82.879  2.6067 69.511   3.0057  81.728  4.0625 84.030  3.2674 -2.301804      5.213406 
1 1 1 12 27 25 o 75.043  2.6155 57.655   2.6682  71.667  4.2765 78.419  3.0126 -6.751801      5.231084 
1 1 1 12 27 27 o 61.196  3.2105 38.336   2.6051  60.581  5.3752 61.810  3.5122 -1.229198      6.420981 
1 1 1 12 27 29 f 16.871  5.1145 -0.3184  2.2566  15.862  7.3340 17.880  7.1307 -2.017667      10.22906 
1 1 1 12 27 31 o 17.309  4.7272 2.2642   1.6380  19.786  7.2070 14.832  6.1193 4.954080       9.454445 
1 1 1 12 27 33 o 19.206  5.2900 3.2122   2.0629  19.229  7.6902 19.183  7.2661 0.4565620E-01  10.57998 
1 1 1 12 27 35 o 53.971  3.3671 32.260   2.2227  48.811  6.0174 59.131  3.0235 -10.32019      6.734273 
1 1 1 12 27 37 o 44.961  3.3515 21.297   1.9832  46.891  5.5829 43.031  3.7095 3.859303       6.702979 
1 1 1 12 27 39 f 18.455  5.3948 3.1641   2.2702  20.846  8.2589 16.065  6.9431 4.781197       10.78958 
1 1 1 12 27 41 o 18.103  5.7782 2.1400   3.1577  18.871  8.4274 17.335  7.9077 1.535713       11.55648 
1 1 1 12 28 0  o 38.817  6.1160 15.963   4.4695  38.817  6.1160 ?       ?      0.000000       0.000000 
1 1 1 12 28 2  o 121.285 1.9926 147.466  3.4157  119.729 2.8798 122.840 2.7549 -3.110779      3.985255 
1 1 1 12 28 4  o 87.854  2.1719 77.508   2.6574  87.106  3.3719 88.602  2.7384 -1.495972      4.343803 
1 1 1 12 28 6  o 34.402  4.7405 12.402   2.2183  31.658  7.7223 37.145  5.5006 -5.487274      9.481024 
1 1 1 12 28 8  o 113.919 2.0436 130.133  3.2806  113.848 3.0285 113.990 2.7447 -0.1419220     4.087203 
1 1 1 12 28 10 o 128.431 2.1280 165.279  3.8500  126.964 2.8665 129.899 3.1459 -2.935074      4.255995 
1 1 1 12 28 12 o 128.201 2.2395 164.790  4.0341  127.140 2.9630 129.263 3.3589 -2.122932      4.479040 
1 1 1 12 28 14 o 133.157 2.3208 177.260  4.3456  138.431 3.4132 127.883 3.1455 10.54793       4.641566 
1 1 1 12 28 16 o 113.381 2.3700 129.371  3.6149  112.938 3.9010 113.823 2.6926 -0.8842545     4.740009 
1 1 1 12 28 18 o 80.973  2.8583 66.277   3.2564  76.241  4.2711 85.704  3.7996 -9.462524      5.716578 
1 1 1 12 28 20 o 87.239  2.3430 77.068   2.7807  85.403  3.8129 89.074  2.7239 -3.670815      4.685964 
1 1 1 12 28 22 o 52.958  3.4568 28.487   2.2921  52.894  6.0357 53.022  3.3719 -0.1274223     6.913669 
1 1 1 12 28 24 o 46.911  3.2784 22.212   2.1240  48.682  5.1152 45.140  4.1021 3.542412       6.556839 
1 1 1 12 28 26 o 35.192  5.1895 14.094   2.2754  30.732  9.3486 39.652  4.5088 -8.919436      10.37908 
1 1 1 12 28 28 o 37.649  5.0169 16.044   2.2754  33.871  9.0582 41.427  4.3155 -7.556568      10.03372 
1 1 1 12 28 30 o 15.120  4.8807 -1.4230  2.0523  17.809  7.9355 12.432  5.6843 5.376942       9.761357 
1 1 1 12 28 32 o 51.723  3.2264 28.449   2.2702  48.376  5.2795 55.070  3.7102 -6.694012      6.452797 
1 1 1 12 28 34 o 52.887  2.9604 29.540   2.1240  51.425  4.8423 54.349  3.4070 -2.924088      5.920792 
1 1 1 12 28 36 o 19.762  5.1840 4.3000   1.9218  19.736  7.6675 19.788  6.9789 -0.5218697E-01 10.36800 
1 1 1 12 28 38 o 23.552  5.8189 6.8643   2.3086  29.635  9.3014 17.468  6.9943 12.16639       11.63770 
1 1 1 12 29 1  o 41.017  3.8294 17.279   2.1690  36.724  6.0853 45.310  4.6504 -8.585823      7.658781 
1 1 1 12 29 3  o 77.102  2.5113 58.700   2.5781  80.297  4.1349 73.908  2.8509 6.388596       5.022507 
1 1 1 12 29 5  f 86.330  2.2819 74.162   2.7155  89.129  3.5819 83.532  2.8282 5.597038       4.563886 
1 1 1 12 29 7  o 33.570  4.9386 12.456   2.0870  28.955  8.8690 38.185  4.3475 -9.230335      9.877249 
1 1 1 12 29 9  f 110.465 2.1261 123.312  3.2731  106.074 3.3107 114.856 2.6684 -8.781693      4.252169 
1 1 1 12 29 11 o 205.109 2.6331 423.099  7.6076  206.067 3.9041 204.151 3.5342 1.915924       5.266203 
1 1 1 12 29 13 o 192.682 2.6127 373.646  7.1192  193.074 3.7039 192.290 3.6858 0.7841797      5.225307 
1 1 1 12 29 15 o 123.140 2.3512 154.116  3.8780  119.229 3.9094 127.050 2.6133 -7.821869      4.702395 
1 1 1 12 29 17 o 132.415 2.2483 177.707  4.1021  128.047 3.5903 136.783 2.7074 -8.736557      4.496696 
1 1 1 12 29 19 o 63.576  2.9505 41.791   2.3762  60.787  5.1469 66.364  2.8864 -5.576729      5.900990 
1 1 1 12 29 21 o 76.772  2.9576 58.828   2.7805  78.485  5.2066 75.059  2.8072 3.426506       5.915168 
1 1 1 12 29 23 o 102.955 2.2884 108.176  3.1762  99.782  3.7754 106.127 2.5871 -6.345139      4.576735 
1 1 1 12 29 25 o 42.611  4.5859 19.399   2.3609  41.509  8.1350 43.713  4.2359 -2.204380      9.171762 
1 1 1 12 29 27 o 29.101  5.8034 9.5763   2.4980  24.355  10.430 33.847  5.0935 -9.491608      11.60681 
1 1 1 12 29 29 o 32.736  6.2241 12.355   2.3944  31.067  11.551 34.404  4.6398 -3.336647      12.44823 
1 1 1 12 29 31 f 47.071  5.5245 25.096   2.7673  46.023  10.255 48.118  4.1135 -2.095089      11.04895 
1 1 1 12 29 33 o 18.835  5.4828 1.2275   2.5397  23.580  8.7506 14.091  6.6085 9.488745       10.96566 
1 1 1 12 29 35 o 27.695  5.3617 9.4405   2.1240  30.623  8.0322 24.767  7.1046 5.855318       10.72341 
1 1 1 12 29 37 o 26.791  4.8559 9.3473   2.0761  20.241  7.9671 33.340  5.5538 -13.09918      9.711843 
1 1 1 12 30 0  o 154.589 2.9763 239.695  9.1945  154.589 2.9763 ?       ?      0.000000       0.000000 
1 1 1 12 30 2  o 123.048 1.9838 152.059  3.4467  120.965 2.9031 125.131 2.7044 -4.166695      3.967635 
1 1 1 12 30 4  o 91.799  2.2198 84.354   2.8378  93.285  3.4223 90.314  2.8279 2.971382       4.439547 
1 1 1 12 30 6  o 55.830  3.3945 31.387   2.6680  53.929  4.6175 57.732  4.9769 -3.802906      6.789075 
1 1 1 12 30 8  o 124.035 2.1473 154.260  3.7574  126.556 3.1280 121.515 2.9425 5.041420       4.294562 
1 1 1 12 30 10 o 140.934 2.6090 200.991  5.0827  137.445 4.1345 144.424 3.1832 -6.978409      5.217916 
1 1 1 12 30 12 o 182.295 2.2653 333.251  5.8282  177.085 3.1369 187.506 3.2690 -10.42128      4.530657 
1 1 1 12 30 14 o 139.025 2.3230 194.314  4.5544  137.781 3.1513 140.268 3.4140 -2.487991      4.646071 
1 1 1 12 30 16 o 43.108  4.5466 19.286   2.4621  43.074  7.8508 43.142  4.5880 -0.6846237E-01 9.093150 
1 1 1 12 30 18 o 20.753  5.8360 2.7232   2.4247  22.722  9.0943 18.783  7.3164 3.938900       11.67207 
1 1 1 12 30 20 o 89.343  2.9362 79.363   3.2615  92.376  5.1149 86.310  2.8852 6.066788       5.872485 
1 1 1 12 30 22 o 59.930  2.8771 36.307   2.3658  61.559  4.5638 58.301  3.5046 3.258633       5.754153 
1 1 1 12 30 24 o 35.331  5.0818 13.545   2.2230  34.613  8.9683 36.050  4.7821 -1.437317      10.16363 
1 1 1 12 30 26 f 32.947  5.0997 11.818   2.1377  33.993  8.7720 31.902  5.2038 2.091404       10.19937 
1 1 1 12 30 28 o 39.308  4.6384 17.834   2.2042  34.983  8.3228 43.633  4.0974 -8.649910      9.276725 
1 1 1 12 30 30 o 44.046  4.2316 20.803   2.4621  46.563  6.9935 41.528  4.7663 5.034241       8.463272 
1 1 1 12 30 32 o 34.362  5.7118 14.562   2.4248  31.776  10.348 36.948  4.8387 -5.172928      11.42356 
1 1 1 12 30 34 o 34.459  5.6346 14.708   2.6291  38.959  8.4328 29.959  7.4754 9.000038       11.26912 
1 1 1 12 30 36 o 33.781  5.1625 14.629   2.3599  34.947  7.8641 32.615  6.6905 2.331562       10.32505 
1 1 1 12 31 1  o 244.353 2.6975 601.484  9.2419  245.594 3.5098 243.112 4.0972 2.481689       5.394932 
1 1 1 12 31 3  o 240.643 2.6653 582.581  9.0506  239.184 3.6305 242.102 3.9033 -2.918823      5.330689 
1 1 1 12 31 5  o 185.080 2.8639 341.485  6.9865  189.340 4.7886 180.820 3.1427 8.520386       5.727795 
1 1 1 12 31 7  o 94.511  4.0461 80.378   3.6458  105.223 7.5852 83.799  2.8192 21.42366       8.092142 
1 1 1 12 31 9  o 50.360  3.8027 24.883   2.3694  53.092  6.6145 47.628  3.7537 5.464512       7.605345 
1 1 1 12 31 11 o 26.590  5.3267 7.3773   2.3003  21.200  8.5051 31.980  6.4154 -10.78060      10.65332 
1 1 1 12 31 13 o 54.847  3.3102 30.789   2.4732  53.389  5.3818 56.306  3.8556 -2.916950      6.620337 
1 1 1 12 31 15 o 70.974  2.9369 51.512   2.7825  69.101  4.8973 72.847  3.2431 -3.745033      5.873722 
1 1 1 12 31 17 o 32.743  4.9096 11.215   1.9988  33.075  8.6060 32.410  4.7281 0.6646080      9.819281 
1 1 1 12 31 19 f 61.658  3.2675 39.430   2.6253  59.506  5.5796 63.810  3.4022 -4.303646      6.535029 
1 1 1 12 31 21 o 100.226 2.3489 101.340  3.1764  101.499 3.8373 98.953  2.7101 2.546631       4.697848 
1 1 1 12 31 23 o 80.602  2.7555 67.394   2.9797  78.215  4.5716 82.990  3.0775 -4.775238      5.510911 
1 1 1 12 31 25 o 61.522  3.1172 39.690   2.4917  59.914  5.3285 63.129  3.2366 -3.214886      6.234439 
1 1 1 12 31 27 o 37.659  5.6431 16.363   2.2856  35.784  10.539 39.534  4.0377 -3.749180      11.28615 
1 1 1 12 31 29 o 30.761  6.0109 11.233   2.5150  34.276  9.6511 27.247  7.1678 7.029514       12.02171 
1 1 1 12 31 31 o 49.029  4.2928 26.885   2.7016  48.385  7.3900 49.673  4.3704 -1.288418      8.585609 
1 1 1 12 31 33 o 61.420  3.7869 41.810   2.8355  60.852  6.7154 61.989  3.5021 -1.136829      7.573730 
1 1 1 12 31 35 o 18.929  5.6308 2.5614   2.7683  23.403  8.9584 14.455  6.8242 8.947943       11.26157 
1 1 1 12 32 0  o 124.813 3.8448 156.944  9.5776  124.813 3.8448 ?       ?      0.000000       0.000000 
1 1 1 12 32 2  o 138.773 2.4250 193.901  4.7464  137.741 3.2912 139.805 3.5623 -2.064484      4.849998 
1 1 1 12 32 4  o 64.929  3.2694 42.395   2.9521  67.513  5.0125 62.344  4.1991 5.168976       6.538872 
1 1 1 12 32 6  f 65.369  2.9553 43.037   2.6502  64.224  3.5791 66.514  4.7038 -2.289810      5.910596 
1 1 1 12 32 8  o 81.120  2.2671 66.534   2.5761  79.154  3.4687 83.086  2.9202 -3.932274      4.534244 
1 1 1 12 32 10 o 22.392  5.7380 4.3470   2.3349  25.143  8.6255 19.640  7.5696 5.502901       11.47601 
1 1 1 12 32 12 o 31.913  5.3114 11.083   2.3658  28.781  8.8799 35.044  5.8304 -6.263281      10.62289 
1 1 1 12 32 14 o 36.788  5.0671 14.003   2.5416  44.172  6.9383 29.404  7.3866 14.76822       10.13423 
1 1 1 12 32 16 o 37.385  4.9668 14.988   2.3264  36.624  8.6668 38.147  4.8540 -1.522949      9.933578 
1 1 1 12 32 18 o 66.538  2.6757 45.253   2.3650  65.641  4.4745 67.434  2.9352 -1.793510      5.351359 
1 1 1 12 32 20 o 58.578  3.7410 35.288   2.6392  59.567  6.6459 57.590  3.4370 1.977070       7.482038 
1 1 1 12 32 22 o 40.921  4.5221 18.207   2.3854  40.661  7.6612 41.181  4.8065 -0.5199051     9.044121 
1 1 1 12 32 24 o 47.015  4.0783 23.762   2.3774  46.265  7.1765 47.765  3.8766 -1.499763      8.156577 
1 1 1 12 32 26 o 28.096  5.4572 9.4981   2.5952  21.322  9.3222 34.869  5.6766 -13.54720      10.91449 
1 1 1 12 32 28 o 23.660  5.9432 6.4915   2.6072  21.359  8.8796 25.960  7.9018 -4.601135      11.88637 
1 1 1 12 32 30 o 34.551  5.8672 15.115   2.7807  37.166  8.8719 31.935  7.6804 5.231730       11.73450 
1 1 1 12 32 32 o 38.213  6.0633 17.991   2.5745  40.319  11.070 36.107  4.9514 4.211403       12.12669 
1 1 1 12 32 34 o 34.922  5.1103 15.150   2.2389  36.730  8.7950 33.113  5.2064 3.617893       10.22050 
1 1 1 12 33 1  o 26.426  6.0414 7.0844   2.6756  29.693  8.2888 23.158  8.7915 6.534697       12.08286 
1 1 1 12 33 3  f 133.846 2.2601 180.524  4.2742  132.519 3.1318 135.173 3.2593 -2.653702      4.520120 
1 1 1 12 33 5  f 166.767 2.2765 280.650  5.3566  165.949 3.3474 167.585 3.0861 -1.635803      4.552934 
1 1 1 12 33 7  o 148.053 1.9530 220.146  4.0615  150.776 2.9220 145.329 2.5922 5.446487       3.906081 
1 1 1 12 33 9  o 74.229  2.9877 55.998   3.1078  74.640  4.5338 73.818  3.8924 0.8225708      5.975481 
1 1 1 12 33 11 o 51.812  3.8871 27.683   2.6450  51.586  6.5600 52.037  4.1719 -0.4505692     7.774232 
1 1 1 12 33 13 o 51.454  4.3039 28.615   2.7196  47.482  7.6650 55.426  3.9167 -7.944542      8.607709 
1 1 1 12 33 15 o 68.204  3.5870 48.973   3.0110  65.264  6.3592 71.143  3.3207 -5.878983      7.174017 
1 1 1 12 33 17 o 92.941  2.4503 88.116   3.0442  92.755  4.0614 93.127  2.7425 -0.3723526     4.900681 
1 1 1 12 33 19 o 77.464  2.7659 61.395   2.8177  78.308  4.6476 76.619  3.0001 1.689545       5.531792 
1 1 1 12 33 21 o 23.519  6.3015 5.1506   2.5540  29.153  10.391 17.886  7.1314 11.26693       12.60296 
1 1 1 12 33 23 o 34.317  5.9872 14.167   2.6953  31.851  10.608 36.784  5.5547 -4.932413      11.97433 
1 1 1 12 33 25 o 49.731  3.3158 25.716   2.1550  51.605  5.5678 47.858  3.6023 3.747135       6.631507 
1 1 1 12 33 27 o 19.248  5.8665 2.3781   2.6335  21.496  9.3197 17.000  7.1280 4.496424       11.73304 
1 1 1 12 33 29 f 38.491  5.4925 17.406   2.5100  40.288  9.7572 36.694  5.0463 3.594212       10.98491 
1 1 1 12 33 31 o 40.510  5.0335 20.589   2.3936  37.305  9.1325 43.714  4.2358 -6.409073      10.06701 
1 1 1 12 34 0  o 94.610  3.6562 90.540   6.8958  94.610  3.6562 ?       ?      0.000000       0.000000 
1 1 1 12 34 2  o 57.194  3.2749 33.224   2.6186  59.452  4.9403 54.936  4.3004 4.516075       6.549803 
1 1 1 12 34 4  o 51.790  3.7048 27.576   2.7043  52.869  5.4347 50.711  5.0364 2.158257       7.409574 
1 1 1 12 34 6  o 105.412 2.4039 112.760  3.5756  101.354 3.5279 109.470 3.2663 -8.116692      4.807763 
1 1 1 12 34 8  o 114.165 2.3794 131.813  3.7927  115.574 3.6463 112.756 3.0579 2.817337       4.758758 
1 1 1 12 34 10 o 49.010  4.0106 25.012   2.7771  50.551  5.5576 47.470  5.7838 3.080490       8.021192 
1 1 1 12 34 12 o 15.496  4.9273 -1.5900  2.2662  15.271  6.9343 15.721  7.0021 -0.4501448     9.854650 
1 1 1 12 34 14 o 18.017  5.2976 1.6182   2.2056  18.550  7.8277 17.483  7.1403 1.066803       10.59514 
1 1 1 12 34 16 f 27.575  5.6932 8.8678   2.3882  25.342  9.0025 29.808  6.9718 -4.466030      11.38640 
1 1 1 12 34 18 o 38.669  4.9406 15.786   2.2545  41.599  8.7214 35.739  4.6452 5.860657       9.881283 
1 1 1 12 34 20 o 51.471  3.6954 27.529   2.5586  54.490  5.9761 48.453  4.3487 6.037663       7.390841 
1 1 1 12 34 22 o 34.857  5.4435 14.239   2.5182  37.386  8.5505 32.328  6.7390 5.057297       10.88696 
1 1 1 12 34 24 o 28.888  6.5139 10.730   2.8400  29.731  10.489 28.044  7.7261 1.687195       13.02775 
1 1 1 12 34 26 o 19.081  5.9589 1.9932   2.7383  21.799  9.6422 16.364  7.0044 5.435394       11.91781 
1 1 1 12 34 28 o 15.576  5.0786 -0.9993  2.4545  16.187  7.7724 14.964  6.5391 1.223388       10.15730 
1 1 1 12 34 30 o 17.490  5.5268 1.9070   2.5952  18.600  8.5964 16.381  6.9488 2.219240       11.05365 
1 1 1 12 35 1  o 154.368 2.1791 241.301  4.7566  153.880 3.1120 154.857 3.0512 -0.9773560     4.358252 
1 1 1 12 35 3  o 117.826 2.2877 141.101  3.7924  115.263 3.4345 120.388 3.0231 -5.125000      4.575483 
1 1 1 12 35 5  o 35.201  6.4146 14.280   3.2451  39.708  8.9041 30.693  9.2360 9.015318       12.82912 
1 1 1 12 35 7  o 16.372  4.9263 0.4031   2.0352  15.502  6.9030 17.242  7.0300 -1.739727      9.852545 
1 1 1 12 35 9  o 29.957  5.9486 10.546   2.6072  28.487  9.4305 31.426  7.2531 -2.939194      11.89717 
1 1 1 12 35 11 o 25.042  6.2141 6.7781   2.7825  23.331  9.4082 26.754  8.1207 -3.422167      12.42818 
1 1 1 12 35 13 o 32.372  6.0986 11.669   2.6335  38.128  9.6895 26.617  7.4084 11.51129       12.19721 
1 1 1 12 35 15 o 27.091  6.0061 8.6572   2.7478  22.730  9.0340 31.453  7.9171 -8.722185      12.01220 
1 1 1 12 35 17 o 36.615  5.3299 15.516   2.6072  34.979  8.9162 38.251  5.8423 -3.272835      10.65977 
1 1 1 12 35 19 o 22.693  6.0733 5.2102   2.6051  27.295  9.5951 18.091  7.4479 9.203707       12.14654 
1 1 1 12 35 21 o 40.013  5.7004 19.701   2.7879  36.478  10.253 43.549  4.9850 -7.071159      11.40084 
1 1 1 12 35 23 o 22.989  6.2144 6.1166   2.6919  26.435  9.7318 19.543  7.7309 6.891205       12.42881 
1 1 1 12 35 25 o 19.187  5.7392 3.2655   2.2925  21.691  9.3607 16.683  6.6430 5.008280       11.47832 
1 1 1 12 35 27 o 21.856  6.1312 5.9906   2.9207  20.467  9.3192 23.244  7.9699 -2.776981      12.26238 
1 1 1 12 36 0  o 58.760  4.6199 35.884   5.3634  58.760  4.6199 ?       ?      0.000000       0.000000 
1 1 1 12 36 2  o 55.083  3.8207 32.134   2.9605  55.546  5.0579 54.621  5.7280 0.9246826      7.641445 
1 1 1 12 36 4  o 42.044  5.2276 19.767   3.0057  42.405  8.1193 41.683  6.5869 0.7228317      10.45511 
1 1 1 12 36 6  o 36.956  5.3171 15.431   2.7322  42.280  6.9468 31.632  8.0515 10.64860       10.63413 
1 1 1 12 36 8  o 48.810  4.3425 26.240   2.9020  42.798  7.0120 54.823  5.1246 -12.02498      8.685023 
1 1 1 12 36 10 o 46.979  4.1823 24.191   2.6952  43.481  6.7550 50.478  4.9332 -6.997581      8.364594 
1 1 1 12 36 12 o 27.617  5.7699 9.0864   2.4754  24.789  8.7081 30.446  7.5721 -5.656857      11.53982 
1 1 1 12 36 14 o 38.914  4.8825 17.019   2.4720  39.674  8.1655 38.153  5.3554 1.521858       9.765028 
1 1 1 12 36 16 o 53.842  4.2768 31.124   3.1049  57.728  6.8575 49.955  5.1126 7.773254       8.553647 
1 1 1 12 36 18 o 22.410  5.8180 5.3702   2.2583  26.780  9.3187 18.040  6.9685 8.740675       11.63606 
1 1 1 12 36 20 o 45.342  4.8275 23.647   2.7692  45.613  8.2847 45.072  4.9582 0.5408669      9.655052 
1 1 1 12 36 22 o 37.398  6.0700 18.820   2.9586  32.407  10.862 42.389  5.4227 -9.981647      12.14003 
1 1 1 12 36 24 o 25.746  6.2582 9.4091   2.6936  24.450  10.244 27.043  7.1924 -2.593729      12.51644 
1 1 1 12 36 26 o 18.358  5.6884 2.1709   2.8946  17.618  8.4666 19.098  7.5991 -1.479919      11.37673 
1 1 1 12 37 1  f 51.717  4.0678 28.800   2.9605  51.991  5.4036 51.443  6.0818 0.5482979      8.135603 
1 1 1 12 37 3  o 53.359  3.9850 30.584   3.0010  55.333  5.4234 51.384  5.8402 3.948856       7.970075 
1 1 1 12 37 5  o 36.920  5.6015 15.920   2.8222  35.059  9.1802 38.781  6.4211 -3.722340      11.20300 
1 1 1 12 37 7  o 27.305  6.4258 8.9363   2.8038  29.375  9.9000 25.234  8.1948 4.141226       12.85167 
1 1 1 12 37 9  o 33.343  5.8845 13.500   2.7155  36.426  8.8412 30.261  7.7681 6.164412       11.76907 
1 1 1 12 37 11 o 51.518  4.4076 29.205   3.1108  52.777  7.0169 50.260  5.3357 2.517551       8.815174 
1 1 1 12 37 13 o 53.953  4.0924 32.042   3.0701  52.931  6.3934 54.975  5.1104 -2.043644      8.184819 
1 1 1 12 37 15 o 47.168  4.4339 25.209   2.8627  45.441  7.1661 48.894  5.2236 -3.452763      8.867825 
1 1 1 12 37 17 o 32.664  5.5944 13.945   2.5971  26.941  9.7499 38.387  5.4890 -11.44626      11.18881 
1 1 1 12 37 19 o 24.982  5.9704 8.1729   2.4519  25.013  9.2527 24.950  7.5478 0.6215096E-01  11.94080 
1 1 1 12 37 21 o 41.989  4.9608 21.230   2.6338  42.859  8.4958 41.119  5.1243 1.740108       9.921588 
1 1 1 12 37 23 o 30.831  6.4784 14.846   3.0448  28.079  10.620 33.582  7.4231 -5.503086      12.95674 
1 1 1 12 38 0  o 52.953  6.0432 30.521   6.2573  52.953  6.0432 ?       ?      0.000000       0.000000 
1 1 1 12 38 2  o 47.677  4.6897 26.122   2.9687  40.371  7.7095 54.983  5.3418 -14.61258      9.379333 
1 1 1 12 38 4  o 38.865  5.0552 17.580   2.6574  36.860  8.1838 40.870  5.9367 -4.010307      10.11032 
1 1 1 12 38 6  o 26.369  6.1538 8.5109   2.6952  30.031  9.0425 22.708  8.3493 7.322344       12.30760 
1 1 1 12 38 8  o 18.200  5.7214 0.5497   2.8483  19.754  8.7565 16.646  7.3664 3.107813       11.44290 
1 1 1 12 38 10 o 28.064  6.2820 10.324   2.8880  25.010  9.3292 31.118  8.4154 -6.108089      12.56401 
1 1 1 12 38 12 o 18.201  5.6735 1.1551   2.7165  20.620  8.8804 15.782  7.0633 4.837525       11.34691 
1 1 1 12 38 14 o 32.479  5.9530 14.025   2.8366  27.704  10.182 37.253  6.1703 -9.548836      11.90597 
1 1 1 12 38 16 o 42.090  5.0653 22.034   2.7383  38.013  8.7432 46.166  5.1173 -8.152477      10.13069 
1 1 1 12 38 18 o 42.159  5.1541 22.398   2.8872  40.050  8.5424 44.268  5.7695 -4.217556      10.30824 
1 1 1 12 38 20 o 23.863  6.0359 8.1864   2.9140  19.656  8.7656 28.069  8.3002 -8.412859      12.07179 
1 1 1 12 39 1  o 28.029  6.2431 10.170   2.9996  34.237  8.8789 21.821  8.7790 12.41597       12.48623 
1 1 1 12 39 3  o 41.077  5.5092 20.695   3.1274  37.562  8.3754 44.591  7.1595 -7.029186      11.01843 
1 1 1 12 39 5  o 29.575  6.1305 11.641   2.7683  27.284  9.1373 31.866  8.1756 -4.581154      12.26097 
1 1 1 12 39 7  o 22.637  6.4918 5.7986   3.1764  23.166  9.7833 22.108  8.5357 1.057713       12.98352 
1 1 1 12 39 9  o 22.735  6.0493 5.8657   2.8605  19.083  8.3753 26.387  8.7310 -7.303885      12.09858 
1 1 1 12 39 11 o 28.020  6.7869 11.702   3.2514  27.304  9.7628 28.736  9.4305 -1.432682      13.57381 
1 1 1 12 39 13 o 50.802  4.4707 30.775   3.0016  48.158  7.5573 53.445  4.7788 -5.287086      8.941464 
1 1 1 12 39 15 o 31.691  7.0557 16.233   3.4616  29.635  11.699 33.746  7.8907 -4.111593      14.11136 
1 1 1 12 39 17 o 41.685  5.1950 23.189   2.5150  35.314  9.5387 48.055  4.1189 -12.74179      10.38998 
1 1 1 12 40 0  o 54.495  5.4907 32.564   5.8742  54.495  5.4907 ?       ?      0.000000       0.000000 
1 1 1 12 40 2  o 61.280  3.9781 42.709   3.4054  58.941  5.1998 63.619  6.0218 -4.678265      7.956170 
1 1 1 12 40 4  o 37.315  5.5614 18.267   2.8410  36.507  8.0850 38.124  7.6386 -1.617832      11.12278 
1 1 1 12 40 6  o 27.397  6.2879 10.825   2.8964  22.653  8.6643 32.142  9.1150 -9.489084      12.57585 
1 1 1 12 40 8  o 48.074  5.0246 28.498   3.3070  48.387  8.0494 47.760  6.0160 0.6270714      10.04914 
1 1 1 12 40 10 o 39.727  5.7293 20.379   2.9900  47.524  8.5028 31.929  7.6813 15.59551       11.45859 
1 1 1 12 40 12 o 20.541  6.0309 4.1412   3.2837  16.895  8.0788 24.187  8.9566 -7.291985      12.06183 
1 1 1 12 41 1  o 59.625  4.2397 42.561   3.5711  61.343  6.0370 57.906  5.9543 3.437431       8.479386 
1 1 1 12 41 3  o 21.838  6.3851 6.8128   3.0891  23.772  9.8032 19.903  8.1838 3.868959       12.77017 
1 1 1 12 41 5  o 39.919  6.0606 22.807   3.3153  38.903  9.0293 40.936  8.0866 -2.033180      12.12111 
1 1 1 13 1  0  o 782.594 6.7321 6127.73  105.353 782.594 6.7321 ?       ?      0.000000       0.000000 
1 1 1 13 1  2  o 270.064 2.0730 729.406  7.9169  269.568 2.9134 270.560 2.9499 -0.9925232     4.146081 
1 1 1 13 1  4  f 444.190 2.9071 1972.18  18.239  439.356 4.0110 449.024 4.2091 -9.667786      5.814183 
1 1 1 13 1  6  o 923.556 5.4926 8532.23  71.680  916.218 7.6101 930.894 7.9222 -14.67603      10.98518 
1 1 1 13 1  8  o 840.994 5.0115 7076.33  59.601  845.883 7.1030 836.104 7.0715 9.778625       10.02296 
1 1 1 13 1  10 o 538.341 3.3633 2898.98  25.603  536.993 4.8037 539.688 4.7087 -2.694519      6.726649 
1 1 1 13 1  12 o 206.389 1.7279 424.521  5.0151  212.158 2.5581 200.621 2.3233 11.53714       3.455712 
1 1 1 13 1  14 o 502.453 3.3398 2525.03  23.210  502.112 4.1201 502.793 5.2574 -0.6817322     6.679524 
1 1 1 13 1  16 o 322.842 2.2663 1044.74  10.191  326.379 2.8562 319.306 3.5194 7.073029       4.532587 
1 1 1 13 1  18 o 419.368 2.8474 1754.13  16.213  415.490 3.3348 423.247 4.6163 -7.757111      5.694784 
1 1 1 13 1  20 o 226.006 1.8158 509.819  5.6075  224.432 2.1622 227.580 2.9179 -3.147949      3.631659 
1 1 1 13 1  22 o 140.270 1.8638 197.297  3.6378  141.936 2.3392 138.605 2.9022 3.331711       3.727568 
1 1 1 13 1  24 o 189.887 1.5767 360.359  4.1667  189.070 1.9925 190.705 2.4441 -1.635269      3.153371 
1 1 1 13 1  26 o 117.241 1.4064 136.894  2.3091  114.113 1.8465 120.369 2.1218 -6.255669      2.812755 
1 1 1 13 1  28 f 81.509  1.5121 66.478   1.6861  81.554  1.8007 81.464  2.4297 0.8943939E-01  3.024274 
1 1 1 13 1  30 o 115.732 1.6021 134.176  2.5193  116.157 1.8690 115.307 2.6026 0.8498001      3.204142 
1 1 1 13 1  32 o 76.285  1.5124 57.778   1.5975  73.823  1.9028 78.746  2.3514 -4.923676      3.024880 
1 1 1 13 1  34 o 87.552  1.6906 76.804   1.9454  87.720  1.8197 87.384  2.8497 0.3366241      3.381137 
1 1 1 13 1  36 o 60.649  2.4256 36.482   1.8284  59.541  2.3592 61.757  4.2390 -2.215714      4.851281 
1 1 1 13 1  38 o 82.157  1.8934 67.524   2.1033  81.651  2.1896 82.663  3.0897 -1.012650      3.786854 
1 1 1 13 1  40 o 77.314  1.9646 60.445   2.0587  79.171  2.2582 75.457  3.2155 3.714500       3.929229 
1 1 1 13 1  42 o 39.986  3.3730 16.749   1.7744  43.275  3.5411 36.697  5.7419 6.578899       6.745964 
1 1 1 13 1  44 o 26.044  4.7895 7.1011   1.7057  23.120  6.0181 28.969  7.4525 -5.849424      9.579044 
1 1 1 13 1  46 o 21.619  5.4986 4.5084   1.9988  20.721  6.5873 22.517  8.8060 -1.796291      10.99715 
1 1 1 13 1  48 o 36.147  3.9957 13.842   1.9933  34.187  5.0427 38.107  6.1995 -3.920048      7.991427 
1 1 1 13 1  50 o 41.803  4.0540 19.974   2.1033  46.506  3.8442 37.100  7.1388 9.406132       8.108095 
1 1 1 13 1  52 o 16.139  4.9848 0.6640   2.0841  16.008  6.3798 16.271  7.6609 -0.2632904     9.969530 
1 1 1 13 2  1  o 205.724 1.7777 423.265  5.1719  204.902 2.5241 206.547 2.5040 -1.644989      3.555407 
1 1 1 13 2  3  o 245.704 1.8751 603.888  6.5102  244.482 2.7161 246.926 2.5858 -2.443588      3.750176 
1 1 1 13 2  5  o 383.275 2.6385 1468.33  14.289  387.954 3.8019 378.596 3.6597 9.358582       5.277088 
1 1 1 13 2  7  o 305.274 2.2036 931.773  9.5099  307.845 3.1526 302.702 3.0797 5.143951       4.407202 
1 1 1 13 2  9  o 494.973 3.2079 2451.26  22.433  492.062 4.6584 497.885 4.4116 -5.822754      6.415831 
1 1 1 13 2  11 o 710.013 4.3388 5032.06  43.432  727.625 6.3357 692.401 5.9295 35.22430       8.677541 
1 1 1 13 2  13 f 310.566 2.2718 964.653  9.8301  310.570 2.8783 310.562 3.5157 0.8850098E-02  4.543635 
1 1 1 13 2  15 o 306.699 2.2189 942.351  9.5163  309.659 2.8455 303.738 3.4055 5.921417       4.437822 
1 1 1 13 2  17 o 323.658 2.8280 1057.81  12.688  338.474 3.4710 308.842 4.4656 29.63153       5.655945 
1 1 1 13 2  19 o 69.559  1.3633 48.338   1.3378  68.641  1.8604 70.476  1.9932 -1.835052      2.726509 
1 1 1 13 2  21 o 225.206 3.7992 507.483  17.112  225.206 3.7992 ?       ?      ?              ?        
1 1 1 13 2  23 o 273.444 1.9507 749.110  7.4425  275.579 2.4791 271.310 3.0124 4.269745       3.901351 
1 1 1 13 2  25 o 284.435 2.2136 809.725  8.8196  284.676 2.8709 284.195 3.3701 0.4814453      4.427147 
1 1 1 13 2  27 f 206.856 1.7781 426.641  5.0765  204.018 2.1908 209.694 2.8013 -5.675583      3.556249 
1 1 1 13 2  29 o 62.390  1.9553 39.486   1.6770  65.874  2.3263 58.906  3.1434 6.968105       3.910576 
1 1 1 13 2  31 o 112.977 1.6440 126.921  2.4720  111.214 1.8372 114.741 2.7267 -3.526848      3.287905 
1 1 1 13 2  33 o 67.182  1.9454 45.347   1.7744  67.863  2.2581 66.502  3.1684 1.361320       3.890768 
1 1 1 13 2  35 o 86.857  1.6981 75.786   1.9714  87.647  1.8941 86.067  2.8191 1.579964       3.396295 
1 1 1 13 2  37 o 65.185  2.0575 43.293   1.7251  67.377  2.0848 62.992  3.5477 4.385521       4.114942 
1 1 1 13 2  39 o 151.092 1.7373 229.041  3.4016  151.374 1.8138 150.810 2.9637 0.5645447      3.474653 
1 1 1 13 2  41 o 67.639  1.9684 45.842   1.8787  69.513  2.8475 65.765  2.7185 3.747971       3.936769 
1 1 1 13 2  43 o 44.901  3.3559 21.217   1.9256  48.255  3.3080 41.546  5.8400 6.708260       6.711822 
1 1 1 13 2  45 o 17.380  4.8833 1.9452   1.7673  16.364  6.5146 18.397  7.2763 -2.033302      9.766532 
1 1 1 13 2  47 o 16.418  5.1815 -0.2554  2.1283  13.982  6.0910 18.854  8.3840 -4.871618      10.36305 
1 1 1 13 2  49 o 15.433  4.8045 0.1135   1.9500  13.879  6.1238 16.986  7.4048 -3.107508      9.608994 
1 1 1 13 2  51 o 27.929  5.2379 9.4789   2.0374  26.129  6.5937 29.730  8.1404 -3.601234      10.47582 
1 1 1 13 2  53 o 25.049  5.2772 8.3188   1.9702  23.731  6.8709 26.366  8.0116 -2.634922      10.55437 
1 1 1 13 3  0  o 1402.60 16.206 19712.29 454.487 1402.60 16.206 ?       ?      0.000000       0.000000 
1 1 1 13 3  2  o 671.049 4.1177 4504.94  39.075  671.394 5.7822 670.705 5.8643 0.6887207      8.235469 
1 1 1 13 3  4  o 222.545 1.8067 494.792  5.6648  224.782 2.6701 220.308 2.4345 4.473907       3.613359 
1 1 1 13 3  6  o 309.765 2.1720 959.502  9.5120  303.880 3.0887 315.649 3.0545 -11.76889      4.343963 
1 1 1 13 3  8  o 150.231 1.3400 224.962  2.8123  152.908 2.0461 147.554 1.7309 5.353958       2.680035 
1 1 1 13 3  10 o 592.921 3.7949 3519.33  31.029  594.647 4.6279 591.195 6.0157 3.452698       7.589883 
1 1 1 13 3  12 o 813.989 5.2905 6636.93  60.384  819.270 6.8817 808.707 8.0375 10.56335       10.58109 
1 1 1 13 3  14 o 236.246 1.8763 556.715  6.1061  233.912 2.2929 238.580 2.9707 -4.667923      3.752642 
1 1 1 13 3  16 o 1219.61 9.1502 14960.14 155.713 1234.29 11.613 1204.93 14.143 29.36560       18.30044 
1 1 1 13 3  18 o 639.295 4.0132 4097.20  35.479  643.252 4.9333 635.339 6.3314 7.913391       8.026465 
1 1 1 13 3  20 o 582.089 3.7083 3384.04  29.702  577.301 4.5125 586.877 5.8859 -9.575806      7.416683 
1 1 1 13 3  22 o 125.433 1.6039 158.628  2.7862  130.017 1.9644 120.848 2.5361 9.168449       3.207885 
1 1 1 13 3  24 o 266.778 2.3670 713.602  8.6073  268.470 2.7826 265.085 3.8298 3.384766       4.733950 
1 1 1 13 3  26 o 340.529 2.5706 1159.82  12.092  339.302 3.1614 341.756 4.0542 -2.453552      5.141155 
1 1 1 13 3  28 f 111.338 1.6274 124.263  2.5476  113.148 2.1444 109.529 2.4484 3.618889       3.254702 
1 1 1 13 3  30 o 183.814 1.8072 338.109  4.6824  183.578 2.4347 184.050 2.6713 -0.4720917     3.614326 
1 1 1 13 3  32 o 167.464 1.8373 277.466  4.0340  163.160 1.9958 171.768 3.0853 -8.608032      3.674574 
1 1 1 13 3  34 o 102.596 1.6782 106.176  2.2520  104.333 1.7748 100.859 2.8488 3.473915       3.356388 
1 1 1 13 3  36 o 54.362  2.5755 29.932   1.9218  56.321  3.0610 52.403  4.1427 3.917728       5.150914 
1 1 1 13 3  38 o 76.563  2.0462 58.767   2.0789  76.486  2.2539 76.640  3.4158 -0.1538315     4.092416 
1 1 1 13 3  40 o 45.085  2.7922 20.768   1.6648  46.769  3.0035 43.400  4.7079 3.369682       5.584370 
1 1 1 13 3  42 o 66.736  1.9712 45.206   1.7744  68.611  2.2335 64.860  3.2487 3.751823       3.942346 
1 1 1 13 3  44 o 16.212  4.8151 0.7662   1.7027  15.073  5.8755 17.351  7.6302 -2.278667      9.630262 
1 1 1 13 3  46 o 69.150  2.4484 48.771   2.2042  69.248  2.5818 69.053  4.1610 0.1950989      4.896866 
1 1 1 13 3  48 o 18.011  5.2436 1.3704   1.8869  12.289  5.5103 23.732  8.9229 -11.44276      10.48724 
1 1 1 13 3  50 o 21.545  4.9873 5.3748   1.7673  22.631  6.6307 20.460  7.4515 2.170427       9.974550 
1 1 1 13 3  52 f 23.757  5.2222 7.2995   1.9279  24.390  6.6326 23.125  8.0680 1.265102       10.44431 
1 1 1 13 4  1  o 226.014 1.7380 510.867  5.5550  225.181 2.4669 226.848 2.4488 -1.666794      3.475932 
1 1 1 13 4  3  o 300.962 2.3740 905.241  9.9461  302.019 3.6786 299.905 3.0019 2.113434       4.747992 
1 1 1 13 4  5  f 413.823 2.7331 1712.80  15.994  413.074 3.8798 414.571 3.8504 -1.496948      5.466115 
1 1 1 13 4  7  o 588.826 3.9734 3463.33  32.860  582.591 5.2497 595.062 5.9659 -12.47144      7.946797 
1 1 1 13 4  9  o 273.365 2.1249 748.033  8.2017  277.804 2.8960 268.927 3.1103 8.876831       4.249781 
1 1 1 13 4  11 o 509.562 3.3327 2594.87  23.659  507.246 4.2295 511.878 5.1517 -4.632446      6.665432 
1 1 1 13 4  13 o 199.384 2.3563 394.872  6.2567  195.980 2.6390 202.787 3.9043 -6.806915      4.712531 
1 1 1 13 4  15 f 409.345 2.7344 1676.81  15.571  410.145 3.4405 408.545 4.2510 1.600372       5.468828 
1 1 1 13 4  17 o 222.300 1.8107 494.441  5.5712  222.635 2.2370 221.964 2.8478 0.6704712      3.621373 
1 1 1 13 4  19 o 220.420 2.3891 488.236  7.2007  223.821 2.8242 217.019 3.8542 6.801971       4.778203 
1 1 1 13 4  21 o 146.675 1.9685 212.416  3.8974  141.352 2.3037 151.997 3.1926 -10.64539      3.936970 
1 1 1 13 4  23 o 244.232 1.9042 597.044  6.3901  244.691 2.2963 243.774 3.0383 0.9164581      3.808469 
1 1 1 13 4  25 o 234.991 2.0330 552.642  6.5060  235.123 2.3897 234.859 3.2896 0.2640228      4.066000 
1 1 1 13 4  27 o 139.842 1.5243 196.105  2.9887  142.106 1.9770 137.577 2.3205 4.528748       3.048499 
1 1 1 13 4  29 o 76.370  2.1241 57.762   2.1655  74.337  2.4050 78.403  3.5019 -4.066010      4.248193 
1 1 1 13 4  31 o 75.685  1.7317 57.250   1.8429  74.846  2.3033 76.525  2.5866 -1.678558      3.463486 
1 1 1 13 4  33 o 92.439  1.7259 85.965   2.0188  93.296  1.7110 91.583  2.9979 1.712311       3.451784 
1 1 1 13 4  35 o 69.553  2.0651 48.506   1.8784  69.717  2.1980 69.388  3.4967 0.3289337      4.130199 
1 1 1 13 4  37 o 122.667 1.6322 150.813  2.6714  122.840 1.8192 122.495 2.7105 0.3455124      3.264430 
1 1 1 13 4  39 o 79.993  2.1051 63.450   2.1727  78.040  2.2091 81.946  3.5842 -3.905968      4.210300 
1 1 1 13 4  41 o 57.949  2.6039 33.239   1.9832  55.688  2.8664 60.211  4.3479 -4.522671      5.207722 
1 1 1 13 4  43 o 15.425  4.6265 0.1165   1.7520  15.667  6.2450 15.184  6.8278 0.4825697      9.253035 
1 1 1 13 4  45 o 38.888  3.4407 15.553   1.7724  38.957  3.7697 38.819  5.7570 0.1380196      6.881392 
1 1 1 13 4  47 o 24.171  5.4214 6.5650   2.0374  23.983  6.8475 24.359  8.4071 -0.3765030     10.84284 
1 1 1 13 4  49 o 26.841  5.5308 8.3626   2.0870  23.608  6.7128 30.075  8.7918 -6.466778      11.06154 
1 1 1 13 4  51 o 20.736  5.0293 4.9165   1.8517  23.695  7.1888 17.776  7.0355 5.918226       10.05868 
1 1 1 13 4  53 o 16.960  4.8584 2.4119   1.9464  19.004  6.9509 14.915  6.7899 4.089157       9.716891 
1 1 1 13 5  0  o 339.732 3.1581 1154.54  21.454  339.732 3.1581 ?       ?      0.000000       0.000000 
1 1 1 13 5  2  o 820.222 6.6654 6731.98  75.172  819.218 8.0669 821.226 10.613 -2.008850      13.33071 
1 1 1 13 5  4  o 609.278 4.4242 3713.93  38.116  608.610 6.3157 609.946 6.1972 -1.335510      8.848337 
1 1 1 13 5  6  o 234.184 1.9044 549.163  5.9802  234.979 2.1467 233.390 3.1461 1.588287       3.808723 
1 1 1 13 5  8  o 381.112 2.7367 1451.12  14.043  379.967 3.1256 382.256 4.4933 -2.288788      5.473451 
1 1 1 13 5  10 o 433.434 2.9507 1878.54  17.352  433.088 3.4351 433.780 4.7986 -0.6918030     5.901393 
1 1 1 13 5  12 o 667.549 4.1650 4466.77  38.544  673.028 5.1610 662.069 6.5387 10.95935       8.330057 
1 1 1 13 5  14 o 153.894 2.6022 234.475  4.7378  151.604 2.3164 156.184 4.6605 -4.580139      5.204414 
1 1 1 13 5  16 o 248.689 2.0678 624.171  6.9440  255.283 2.3511 242.095 3.4023 13.18755       4.135578 
1 1 1 13 5  18 o 322.083 2.2433 1041.29  10.094  328.564 2.8567 315.603 3.4595 12.96140       4.486545 
1 1 1 13 5  20 o 136.672 1.4529 187.040  2.6253  137.051 1.5840 136.294 2.4361 0.7569885      2.905792 
1 1 1 13 5  22 o 252.215 1.9188 635.370  6.6908  250.620 2.3694 253.810 3.0188 -3.190460      3.837596 
1 1 1 13 5  24 o 87.330  1.4600 76.712   1.7787  90.110  1.8423 84.550  2.2656 5.560410       2.920078 
1 1 1 13 5  26 o 58.079  1.5877 34.074   1.2483  59.787  1.8155 56.371  2.6052 3.415932       3.175371 
1 1 1 13 5  28 o 149.042 1.5967 221.909  3.3154  147.915 2.0288 150.169 2.4661 -2.254562      3.193410 
1 1 1 13 5  30 o 18.402  4.6410 2.8733   1.5324  17.468  6.5265 19.336  6.6000 -1.867926      9.281975 
1 1 1 13 5  32 o 78.131  1.5626 61.024   1.7145  77.442  2.0612 78.821  2.3492 -1.378868      3.125299 
1 1 1 13 5  34 o 54.938  2.5782 30.311   1.6450  55.102  2.2017 54.774  4.6628 0.3280792      5.156494 
1 1 1 13 5  36 o 124.058 1.9307 152.900  2.9359  122.384 1.8260 125.732 3.4025 -3.347458      3.861496 
1 1 1 13 5  38 o 86.902  1.8473 75.758   2.0691  87.031  1.9075 86.773  3.1641 0.2574234      3.694574 
1 1 1 13 5  40 o 87.934  1.9357 78.482   2.2321  90.316  2.0502 85.552  3.2839 4.764503       3.871336 
1 1 1 13 5  42 o 24.990  5.0909 6.5638   1.8389  24.693  6.2077 25.287  8.0706 -0.5938129     10.18187 
1 1 1 13 5  44 o 28.550  4.5095 8.3279   1.6419  24.929  5.2837 32.172  7.3092 -7.242998      9.018990 
1 1 1 13 5  46 f 32.506  4.0358 10.960   1.7251  29.245  4.8032 35.767  6.4870 -6.521852      8.071646 
1 1 1 13 5  48 o 16.509  5.0022 0.6621   2.0354  14.416  6.3585 18.602  7.7237 -4.186735      10.00435 
1 1 1 13 5  50 o 33.971  4.8218 13.460   2.1454  35.157  5.0853 32.786  8.1938 2.370686       9.643564 
1 1 1 13 5  52 o 18.510  5.0280 3.8508   1.8164  17.831  6.6613 19.189  7.5333 -1.358616      10.05600 
1 1 1 13 6  1  o 451.408 3.9065 2052.58  23.241  458.801 4.2029 444.015 6.5862 14.78568       7.812912 
1 1 1 13 6  3  o 682.240 4.7516 4656.93  45.845  683.929 6.7031 680.550 6.7364 3.378662       9.503210 
1 1 1 13 6  5  o 367.815 3.2162 1332.36  14.401  358.832 3.0250 376.798 5.6768 -17.96643      6.432419 
1 1 1 13 6  7  o 881.592 6.7277 7764.31  82.462  873.333 8.4882 889.851 10.440 -16.51782      13.45541 
1 1 1 13 6  9  o 925.086 6.9998 8569.33  90.313  925.857 8.9032 924.314 10.804 1.543457       13.99970 
1 1 1 13 6  11 o 841.587 5.1427 7050.87  58.937  827.863 6.0930 855.310 8.2863 -27.44727      10.28535 
1 1 1 13 6  13 o 257.978 2.0792 661.905  7.1562  254.336 2.3347 261.621 3.4412 -7.284882      4.158479 
1 1 1 13 6  15 o 207.215 1.8617 429.795  5.3792  208.081 2.3628 206.349 2.8777 1.731857       3.723415 
1 1 1 13 6  17 o 398.224 2.7324 1586.54  15.387  397.016 3.8437 399.433 3.8844 -2.417847      5.464709 
1 1 1 13 6  19 o 323.491 2.2346 1045.85  10.184  326.533 3.3046 320.448 3.0087 6.085144       4.469121 
1 1 1 13 6  21 o 216.731 1.7707 469.875  5.4273  216.098 2.5115 217.365 2.4969 -1.266815      3.541459 
1 1 1 13 6  23 o 569.450 3.6116 3248.29  29.084  564.934 5.1312 573.965 5.0839 -9.031067      7.223252 
1 1 1 13 6  25 o 297.455 2.2313 885.556  9.3856  297.099 3.1807 297.811 3.1302 -0.7117615     4.462648 
1 1 1 13 6  27 o 106.970 2.0120 114.148  2.9922  105.369 2.5451 108.572 3.1169 -3.202881      4.023985 
1 1 1 13 6  29 o 218.471 1.9758 477.154  6.0695  216.337 2.6268 220.605 2.9522 -4.268311      3.951646 
1 1 1 13 6  31 o 123.616 1.5545 152.880  2.7043  123.337 2.0708 123.895 2.3191 -0.5575256     3.109082 
1 1 1 13 6  33 o 48.530  2.0920 23.514   1.4303  46.825  2.8635 50.234  3.0505 -3.408707      4.183969 
1 1 1 13 6  35 o 83.130  1.6592 69.059   1.9427  88.924  2.2977 77.336  2.3943 11.58721       3.318458 
1 1 1 13 6  37 o 112.609 1.6563 127.078  2.5789  112.693 2.0397 112.525 2.6102 0.1677017      3.312634 
1 1 1 13 6  39 o 99.103  1.8233 98.782   2.2754  99.664  1.7938 98.541  3.1750 1.122673       3.646701 
1 1 1 13 6  41 o 55.084  2.4140 30.595   1.7966  55.215  2.7753 54.952  3.9506 0.2630768      4.827982 
1 1 1 13 6  43 o 41.336  3.6731 17.339   2.0813  39.888  4.4820 42.783  5.8205 -2.894485      7.346210 
1 1 1 13 6  45 o 53.603  3.0802 29.258   2.0140  53.297  2.8753 53.909  5.4482 -0.6128311     6.160397 
1 1 1 13 6  47 o 38.034  4.4361 17.124   2.0374  45.298  3.8058 30.769  8.0144 14.52917       8.872122 
1 1 1 13 6  49 o 17.474  5.1624 1.8575   1.9832  15.345  6.3586 19.603  8.1344 -4.258574      10.32474 
1 1 1 13 6  51 o 18.518  5.1039 3.3585   1.7431  16.156  6.0910 20.880  8.1913 -4.724398      10.20776 
1 1 1 13 6  53 o 20.590  5.3657 5.2706   2.0374  16.300  6.6615 24.879  8.4134 -8.579056      10.73132 
1 1 1 13 7  0  o 951.708 11.449 9068.17  217.858 951.708 11.449 ?       ?      0.000000       0.000000 
1 1 1 13 7  2  f 523.120 4.0761 2739.89  28.516  524.309 4.5668 521.930 6.7529 2.379639       8.152121 
1 1 1 13 7  4  f 930.693 8.3733 8675.84  110.200 930.941 11.749 930.445 11.934 0.4957886      16.74662 
1 1 1 13 7  6  o 440.191 3.2724 1934.90  17.772  438.981 3.1127 441.400 5.7572 -2.419373      6.544806 
1 1 1 13 7  8  o 274.699 2.3486 756.123  8.4048  275.823 2.4769 273.575 3.9910 2.247925       4.697179 
1 1 1 13 7  10 o 469.223 2.9107 2202.16  19.313  470.562 4.1385 467.883 4.0940 2.678802       5.821366 
1 1 1 13 7  12 o 359.619 2.4860 1289.57  12.570  368.322 3.6925 350.917 3.3297 17.40524       4.972072 
1 1 1 13 7  14 o 155.258 2.0091 240.851  4.2896  154.687 2.4354 155.830 3.1960 -1.143784      4.018132 
1 1 1 13 7  16 o 327.651 2.3847 1073.09  10.925  329.121 3.6473 326.181 3.0733 2.940674       4.769452 
1 1 1 13 7  18 o 250.180 1.8141 626.017  6.4130  250.472 2.6257 249.888 2.5041 0.5840149      3.628288 
1 1 1 13 7  20 o 286.739 2.0627 822.478  8.3639  284.279 2.9199 289.198 2.9144 -4.919434      4.125415 
1 1 1 13 7  22 o 174.169 1.6720 303.434  4.1181  175.910 2.3593 172.428 2.3699 3.481781       3.344094 
1 1 1 13 7  24 o 233.302 1.9062 544.434  6.2852  231.527 2.6475 235.078 2.7433 -3.551025      3.812470 
1 1 1 13 7  26 o 268.889 2.0737 723.585  7.8844  270.359 2.9521 267.420 2.9129 2.938690       4.147307 
1 1 1 13 7  28 o 247.324 2.1907 610.346  7.5178  250.805 3.4114 243.844 2.7494 6.960373       4.381435 
1 1 1 13 7  30 o 69.850  1.6207 48.608   1.5733  71.261  2.5088 68.439  2.0525 2.821640       3.241453 
1 1 1 13 7  32 o 113.113 1.5559 127.554  2.4754  116.886 2.2943 109.339 2.1023 7.547218       3.111821 
1 1 1 13 7  34 o 88.581  1.6325 78.600   2.0432  90.780  2.2507 86.383  2.3653 4.396957       3.265036 
1 1 1 13 7  36 o 184.846 1.8131 341.445  4.6697  182.264 2.3121 187.427 2.7935 -5.163925      3.626202 
1 1 1 13 7  38 o 60.024  2.1088 36.203   1.7878  58.269  3.0682 61.779  2.8939 -3.510357      4.217618 
1 1 1 13 7  40 o 64.273  2.1124 41.968   1.8571  66.939  2.4800 61.606  3.4202 5.332893       4.224749 
1 1 1 13 7  42 o 16.832  4.7952 1.4720   1.7507  16.575  6.6284 17.089  6.9311 -0.5144901     9.590440 
1 1 1 13 7  44 o 85.887  2.0617 75.106   2.4081  88.166  2.3899 83.607  3.3603 4.559723       4.123464 
1 1 1 13 7  46 o 20.784  5.5819 3.2448   1.9736  20.714  5.8867 20.854  9.4856 -0.1397533     11.16379 
1 1 1 13 7  48 o 24.951  5.2787 7.1391   1.9256  22.111  6.6679 27.791  8.1853 -5.679739      10.55744 
1 1 1 13 7  50 o 44.934  4.8094 21.253   2.2384  41.296  3.7108 48.572  8.8743 -7.275898      9.618880 
1 1 1 13 7  52 o 23.968  5.8925 7.3453   2.1096  20.504  6.5943 27.433  9.7674 -6.928810      11.78505 
1 1 1 13 8  1  o 638.032 5.3288 4093.24  47.319  653.934 6.6688 622.130 8.3132 31.80353       10.65752 
1 1 1 13 8  3  o 1053.52 8.9371 11115.09 133.076 1042.49 12.452 1064.54 12.824 -22.04663      17.87422 
1 1 1 13 8  5  o 257.074 1.8912 659.476  6.7150  254.842 2.3301 259.307 2.9794 -4.464966      3.782392 
1 1 1 13 8  7  o 480.673 3.1842 2305.85  20.877  477.206 3.7732 484.140 5.1303 -6.934265      6.368428 
1 1 1 13 8  9  o 417.225 2.8530 1741.42  16.330  417.423 3.4264 417.027 4.5626 0.3960571      5.705937 
1 1 1 13 8  11 o 471.788 3.1039 2234.14  20.209  478.162 3.7790 465.414 4.9251 12.74741       6.207877 
1 1 1 13 8  13 o 221.033 1.7741 489.489  5.4013  222.525 2.1520 219.542 2.8211 2.983231       3.548215 
1 1 1 13 8  15 o 418.914 3.1975 1750.12  18.792  409.517 4.2253 428.310 4.8002 -18.79248      6.394970 
1 1 1 13 8  17 o 112.343 2.8324 126.998  4.0705  113.608 2.8663 111.077 4.8860 2.530579       5.664731 
1 1 1 13 8  19 o 95.772  1.9012 91.793   2.5141  95.942  2.3293 95.601  3.0055 0.3411331      3.802419 
1 1 1 13 8  21 o 320.095 2.2708 1024.81  10.274  316.928 3.1630 323.262 3.2591 -6.333923      4.541612 
1 1 1 13 8  23 o 280.519 2.3413 786.655  9.2770  274.587 3.2555 286.451 3.3658 -11.86395      4.682599 
1 1 1 13 8  25 f 166.503 1.5593 277.380  3.6711  166.042 2.2304 166.963 2.1798 -0.9217529     3.118663 
1 1 1 13 8  27 o 206.825 1.8220 427.060  5.3160  200.658 2.5138 212.992 2.6381 -12.33359      3.643987 
1 1 1 13 8  29 o 103.195 1.5314 106.517  2.2329  104.029 2.2096 102.362 2.1208 1.666908       3.062710 
1 1 1 13 8  31 o 85.050  1.6192 72.400   1.9469  84.826  2.2582 85.274  2.3212 -0.4476929     3.238401 
1 1 1 13 8  33 o 66.303  1.8459 43.697   1.6861  68.119  2.9058 64.487  2.2773 3.631836       3.691814 
1 1 1 13 8  35 o 46.631  2.6013 21.651   1.6192  45.708  2.9335 47.554  4.2966 -1.845470      5.202556 
1 1 1 13 8  37 o 56.411  2.5310 31.802   1.8784  55.737  2.7494 57.085  4.2504 -1.347645      5.062074 
1 1 1 13 8  39 o 31.594  4.5914 10.735   1.7962  34.144  4.1141 29.044  8.2096 5.099802       9.182796 
1 1 1 13 8  41 o 115.472 2.0293 134.090  2.8507  115.589 1.8781 115.354 3.5979 0.2354584      4.058570 
1 1 1 13 8  43 o 94.269  1.7993 90.002   2.3193  96.252  2.1228 92.286  2.9059 3.965454       3.598650 
1 1 1 13 8  45 o 25.900  4.8656 7.4555   2.0507  31.973  5.1922 19.826  8.2303 12.14684       9.731232 
1 1 1 13 8  47 o 24.724  4.8428 6.9989   1.8192  28.505  6.4254 20.943  7.2475 7.562037       9.685677 
1 1 1 13 8  49 o 26.607  5.8357 8.3314   2.0990  27.493  5.2983 25.721  10.399 1.772980       11.67133 
1 1 1 13 8  51 o 22.016  5.0909 5.7891   2.0432  25.688  6.0569 18.344  8.1842 7.344673       10.18171 
1 1 1 13 9  0  o 904.348 11.463 8188.95  207.259 904.348 11.463 ?       ?      0.000000       0.000000 
1 1 1 13 9  2  o 560.884 4.7109 3158.78  37.181  585.678 6.2359 536.090 7.0629 49.58777       9.421824 
1 1 1 13 9  4  o 343.318 3.1622 1163.32  14.011  334.134 3.3250 352.502 5.3797 -18.36792      6.324307 
1 1 1 13 9  6  o 373.214 3.1529 1391.97  15.816  372.283 3.5846 374.144 5.1880 -1.861664      6.305895 
1 1 1 13 9  8  o 226.209 1.8172 513.864  5.6607  229.783 2.1952 222.636 2.8966 7.147064       3.634454 
1 1 1 13 9  10 o 400.842 2.7955 1617.27  15.439  410.755 3.3732 390.929 4.4589 19.82657       5.591090 
1 1 1 13 9  12 o 327.350 2.3707 1072.06  10.713  327.604 2.9040 327.095 3.7479 0.5086975      4.741340 
1 1 1 13 9  14 o 393.418 2.6799 1545.67  14.566  390.593 3.3021 396.244 4.2219 -5.650970      5.359845 
1 1 1 13 9  16 o 324.929 2.3398 1060.11  10.470  329.572 2.8286 320.286 3.7279 9.285614       4.679561 
1 1 1 13 9  18 o 473.929 3.2364 2243.36  20.982  470.587 3.8670 477.272 5.1908 -6.684479      6.472806 
1 1 1 13 9  20 o 259.276 1.9714 671.932  7.0797  258.316 2.4471 260.236 3.0915 -1.919281      3.942776 
1 1 1 13 9  22 o 233.356 2.1299 547.198  6.5894  235.779 2.3289 230.932 3.5667 4.846848       4.259741 
1 1 1 13 9  24 f 198.099 1.7825 393.306  4.8741  199.403 2.1774 196.796 2.8227 2.606613       3.564951 
1 1 1 13 9  26 o 279.633 2.1533 782.425  8.3444  279.275 2.6750 279.991 3.3751 -0.7158508     4.306564 
1 1 1 13 9  28 o 142.240 1.5748 201.626  3.1216  139.377 2.0157 145.103 2.4202 -5.725983      3.149656 
1 1 1 13 9  30 o 162.144 1.8253 263.206  4.1761  162.268 2.4790 162.019 2.6798 0.2496948      3.650586 
1 1 1 13 9  32 o 148.230 1.5278 219.537  3.1606  146.802 1.9572 149.658 2.3465 -2.856277      3.055650 
1 1 1 13 9  34 o 29.357  3.7041 9.1178   1.3792  31.711  3.6244 27.004  6.4611 4.706682       7.408214 
1 1 1 13 9  36 o 99.802  1.8223 102.949  2.2902  105.707 1.7517 93.896  3.1960 11.81062       3.644601 
1 1 1 13 9  38 o 62.532  2.0334 39.373   1.7787  63.724  2.6052 61.341  3.1227 2.382767       4.066737 
1 1 1 13 9  40 o 44.015  3.5388 20.181   1.9332  46.147  3.3207 41.884  6.2503 4.262672       7.077690 
1 1 1 13 9  42 o 30.852  4.2561 10.011   1.7057  31.263  4.4932 30.440  7.2296 0.8232155      8.512128 
1 1 1 13 9  44 o 60.929  2.3468 37.629   1.9865  60.714  2.9447 61.145  3.6549 -0.4315414     4.693509 
1 1 1 13 9  46 o 21.482  5.5622 4.4695   1.9581  18.189  6.4386 24.776  9.0717 -6.586559      11.12437 
1 1 1 13 9  48 o 22.060  5.5953 5.3415   2.0870  20.509  6.8695 23.612  8.8339 -3.102634      11.19056 
1 1 1 13 9  50 o 57.988  4.4258 40.216   2.5846  64.925  2.8520 51.052  8.3797 13.87303       8.851698 
1 1 1 13 9  52 o 36.652  5.3919 17.557   2.2675  39.519  4.2008 33.785  9.9319 5.733776       10.78378 
1 1 1 13 10 1  o 586.966 4.2921 3447.01  35.628  588.983 6.0708 584.949 6.0690 4.033630       8.584200 
1 1 1 13 10 3  o 558.372 3.7778 3123.67  29.595  564.202 4.9229 552.542 5.7317 11.65948       7.555568 
1 1 1 13 10 5  o 364.125 2.6207 1314.01  12.806  355.303 3.0011 372.947 4.2972 -17.64453      5.241470 
1 1 1 13 10 7  o 597.673 3.8123 3577.16  31.386  599.727 4.6313 595.620 6.0568 4.106934       7.624532 
1 1 1 13 10 9  o 188.811 2.3679 355.552  6.0906  187.110 2.7982 190.512 3.8207 -3.401978      4.735823 
1 1 1 13 10 11 o 366.916 2.5413 1345.07  12.862  365.209 3.1120 368.624 4.0185 -3.415375      5.082653 
1 1 1 13 10 13 o 242.129 1.8818 586.834  6.2771  242.822 2.2877 241.436 2.9884 1.385345       3.763519 
1 1 1 13 10 15 o 250.877 1.9380 629.051  6.6368  250.226 2.2965 251.529 3.1223 -1.303223      3.875974 
1 1 1 13 10 17 f 233.427 2.0635 545.981  6.3157  234.307 2.2073 232.546 3.4870 1.760117       4.126953 
1 1 1 13 10 19 o 107.780 1.8135 116.054  2.4094  107.554 1.7216 108.007 3.1923 -0.4527664     3.626967 
1 1 1 13 10 21 o 270.410 2.0841 731.857  7.8165  270.747 2.5941 270.073 3.2626 0.6743774      4.168218 
1 1 1 13 10 23 o 216.644 1.8366 468.170  5.4729  214.215 2.2355 219.072 2.9146 -4.856155      3.673187 
1 1 1 13 10 25 o 348.688 2.5381 1215.27  12.278  346.031 3.1738 351.344 3.9618 -5.313538      5.076260 
1 1 1 13 10 27 o 104.411 1.4343 109.403  2.0993  106.646 1.8560 102.176 2.1872 4.470322       2.868532 
1 1 1 13 10 29 o 338.432 2.5667 1149.59  12.157  342.151 3.3031 334.714 3.9297 7.437378       5.133496 
1 1 1 13 10 31 o 144.241 1.8302 208.402  3.5490  144.387 2.0784 144.095 3.0132 0.2920532      3.660467 
1 1 1 13 10 33 o 53.578  2.5321 29.479   1.8164  57.351  2.7833 49.805  4.2306 7.546261       5.064109 
1 1 1 13 10 35 o 79.066  1.6383 62.923   1.8147  81.739  2.1091 76.393  2.5074 5.345215       3.276523 
1 1 1 13 10 37 o 84.018  2.0456 71.155   2.3429  85.204  2.3980 82.832  3.3146 2.372238       4.091136 
1 1 1 13 10 39 o 46.519  3.7823 22.438   2.3225  49.173  4.0253 43.865  6.4047 5.308369       7.564609 
1 1 1 13 10 41 o 43.127  3.1170 18.841   1.8398  42.786  3.7308 43.467  4.9943 -0.6813431     6.233966 
1 1 1 13 10 43 o 46.082  2.6613 21.907   1.6625  48.331  3.0386 43.833  4.3701 4.497997       5.322643 
1 1 1 13 10 45 o 23.210  4.8763 5.5769   2.0318  28.861  5.9554 17.558  7.7231 11.30223       9.752634 
1 1 1 13 10 47 o 43.656  4.2635 20.554   2.4437  42.710  4.6344 44.602  7.1577 -1.892460      8.527093 
1 1 1 13 10 49 o 15.406  4.9107 -0.1610  1.9988  13.112  5.8217 17.700  7.9099 -4.588265      9.821373 
1 1 1 13 10 51 o 36.900  3.8745 15.419   1.9464  31.639  5.6527 42.161  5.3005 -10.52225      7.749072 
1 1 1 13 11 0  o 1055.91 10.234 11162.34 216.070 1055.91 10.234 ?       ?      0.000000       0.000000 
1 1 1 13 11 2  o 688.437 4.1711 4741.87  40.605  681.207 5.9051 695.667 5.8925 -14.46075      8.342130 
1 1 1 13 11 4  o 194.202 1.9808 374.790  5.3364  188.846 2.5020 199.557 3.0716 -10.71123      3.961676 
1 1 1 13 11 6  o 301.746 2.6277 909.827  10.881  300.678 3.1641 302.814 4.1961 -2.135437      5.255316 
1 1 1 13 11 8  o 382.343 2.8731 1465.22  15.346  386.562 3.6669 378.123 4.4242 8.439056       5.746247 
1 1 1 13 11 10 o 92.284  1.4650 84.986   1.8181  91.732  1.6705 92.836  2.4072 -1.103104      2.930085 
1 1 1 13 11 12 o 451.630 3.0050 2040.36  18.589  451.245 3.5941 452.016 4.8169 -0.7713623     6.009946 
1 1 1 13 11 14 o 235.691 1.8196 554.362  5.9445  233.382 2.2708 238.001 2.8438 -4.618958      3.639143 
1 1 1 13 11 16 o 195.392 1.6802 381.216  4.4899  194.272 2.0049 196.512 2.6968 -2.240051      3.360405 
1 1 1 13 11 18 o 264.153 2.0200 697.808  7.3128  263.819 2.4202 264.487 3.2349 -0.6679688     4.040083 
1 1 1 13 11 20 o 251.144 2.1429 632.479  7.3164  252.834 2.5001 249.454 3.4811 3.379379       4.285847 
1 1 1 13 11 22 o 419.765 3.1136 1765.05  18.299  419.958 4.0291 419.571 4.7480 0.3867798      6.227124 
1 1 1 13 11 24 o 185.854 1.6588 345.208  4.2958  184.782 2.1078 186.925 2.5619 -2.142899      3.317548 
1 1 1 13 11 26 o 146.027 1.8635 212.013  3.5551  143.977 1.9957 148.078 3.1477 -4.101501      3.727032 
1 1 1 13 11 28 f 153.110 1.5504 234.666  3.3445  153.657 2.0777 152.563 2.3019 1.094055       3.100867 
1 1 1 13 11 30 o 263.399 2.5744 691.467  9.1566  259.041 2.9825 267.757 4.1970 -8.715729      5.148782 
1 1 1 13 11 32 o 61.447  2.5826 37.768   2.2056  60.790  3.2561 62.104  4.0097 -1.313480      5.165228 
1 1 1 13 11 34 o 39.439  2.6918 15.620   1.4998  40.811  3.7549 38.066  3.8579 2.744675       5.383562 
1 1 1 13 11 36 o 46.570  2.8566 21.700   1.8701  49.079  4.1631 44.061  3.9127 5.018684       5.713195 
1 1 1 13 11 38 o 34.580  3.1371 12.070   1.5297  34.685  4.2340 34.474  4.6303 0.2111549      6.274282 
1 1 1 13 11 40 f 76.935  2.4279 61.285   2.3264  80.781  2.2922 73.088  4.2807 7.692924       4.855744 
1 1 1 13 11 42 o 52.720  3.1192 27.775   2.1550  50.335  3.4250 55.106  5.2141 -4.770172      6.238378 
1 1 1 13 11 44 f 22.180  5.5315 4.9071   1.9437  19.643  6.4610 24.717  8.9801 -5.074295      11.06292 
1 1 1 13 11 46 o 24.960  5.0999 7.1683   1.8815  25.295  6.5227 24.625  7.8416 0.6705379      10.19983 
1 1 1 13 11 48 f 23.556  5.3496 6.6404   2.0432  21.783  7.6059 25.328  7.5249 -3.545370      10.69927 
1 1 1 13 11 50 o 28.456  5.6406 11.040   2.3936  32.252  5.9658 24.660  9.5746 7.591797       11.28112 
1 1 1 13 12 1  o 608.419 3.7892 3701.65  32.543  603.427 5.1848 613.411 5.5272 -9.984009      7.578435 
1 1 1 13 12 3  o 633.608 3.9123 4017.11  35.050  633.804 5.4703 633.412 5.5946 0.3916016      7.824553 
1 1 1 13 12 5  o 157.714 1.5795 247.475  3.4549  161.234 2.4553 154.194 1.9876 7.040054       3.158959 
1 1 1 13 12 7  o 243.333 2.1896 591.727  7.5208  240.357 3.0018 246.309 3.1885 -5.951492      4.379229 
1 1 1 13 12 9  o 171.658 1.6667 293.841  3.8555  170.249 1.9127 173.066 2.7301 -2.816406      3.333483 
1 1 1 13 12 11 o 158.379 1.5261 247.877  3.2383  153.446 1.7477 163.313 2.5022 -9.867081      3.052110 
1 1 1 13 12 13 o 309.716 2.3269 956.469  9.8152  306.531 2.7496 312.902 3.7547 -6.370911      4.653790 
1 1 1 13 12 15 o 406.462 2.8090 1651.81  15.852  404.830 3.5172 408.094 4.3809 -3.264099      5.618075 
1 1 1 13 12 17 o 290.037 2.0729 842.053  8.3849  290.853 2.6343 289.220 3.2011 1.632446       4.145717 
1 1 1 13 12 19 o 282.050 2.3909 793.003  8.8166  279.655 2.5572 284.445 4.0405 -4.790161      4.781735 
1 1 1 13 12 21 o 118.726 1.5044 140.266  2.4894  115.612 1.9330 121.840 2.3058 -6.228088      3.008876 
1 1 1 13 12 23 o 119.304 1.3268 142.401  2.2275  119.414 1.7645 119.195 1.9820 0.2190170      2.653662 
1 1 1 13 12 25 o 144.608 1.4871 208.833  3.0057  143.135 1.9182 146.081 2.2729 -2.945129      2.974105 
1 1 1 13 12 27 o 176.894 1.8757 312.510  4.6754  172.898 2.5481 180.890 2.7532 -7.992249      3.751442 
1 1 1 13 12 29 o 79.534  1.6229 62.688   1.7744  76.697  1.9980 82.371  2.5580 -5.674210      3.245840 
1 1 1 13 12 31 f 42.883  2.7452 18.372   1.6380  42.079  3.4900 43.687  4.2385 -1.607620      5.490452 
1 1 1 13 12 33 o 47.285  2.3642 22.600   1.5585  49.455  2.9695 45.116  3.6797 4.338947       4.728423 
1 1 1 13 12 35 f 41.395  2.7829 17.245   1.6276  41.081  4.0410 41.708  3.8272 -0.6267815     5.565750 
1 1 1 13 12 37 o 87.991  2.0352 78.566   2.3650  90.375  2.1902 85.608  3.4309 4.767136       4.070377 
1 1 1 13 12 39 f 80.475  2.1070 66.233   2.2776  84.319  2.3475 76.631  3.4995 7.687256       4.213930 
1 1 1 13 12 41 o 35.390  4.8640 13.463   2.2321  36.846  5.0254 33.935  8.3294 2.910992       9.728016 
1 1 1 13 12 43 f 33.186  4.5510 11.932   1.9454  34.289  4.6553 32.083  7.8215 2.205502       9.102089 
1 1 1 13 12 45 o 22.307  5.4661 5.3301   2.0987  23.217  6.9150 21.398  8.4674 1.819191       10.93230 
1 1 1 13 12 47 o 31.205  4.5570 11.173   1.8841  33.199  4.8081 29.211  7.7426 3.988817       9.114031 
1 1 1 13 12 49 o 14.068  4.5321 -1.0010  1.9279  13.075  5.9199 15.060  6.8641 -1.985633      9.064259 
1 1 1 13 12 51 o 26.111  5.4623 9.5109   2.1987  28.495  7.3489 23.728  8.0833 4.767139       10.92459 
1 1 1 13 13 0  o 639.213 5.7946 4088.60  74.067  639.213 5.7946 ?       ?      0.000000       0.000000 
1 1 1 13 13 2  o 364.070 2.6227 1325.62  13.501  360.547 3.6835 367.593 3.7345 -7.046112      5.245492 
1 1 1 13 13 4  o 246.825 1.9034 609.608  6.6398  243.552 2.7527 250.098 2.6296 -6.545700      3.806874 
1 1 1 13 13 6  f 440.873 2.8677 1944.79  17.877  439.344 4.0983 442.403 4.0123 -3.059082      5.735403 
1 1 1 13 13 8  o 594.626 3.7887 3538.32  31.851  589.498 5.3073 599.754 5.4082 -10.25580      7.577388 
1 1 1 13 13 10 o 373.154 2.6235 1389.53  13.424  369.860 3.1592 376.447 4.1894 -6.586700      5.247098 
1 1 1 13 13 12 o 445.893 2.9511 1987.19  18.191  443.748 3.6404 448.038 4.6459 -4.290161      5.902243 
1 1 1 13 13 14 o 141.354 1.4791 199.947  2.8038  141.540 1.6691 141.168 2.4424 0.3721008      2.958276 
1 1 1 13 13 16 o 279.926 2.0677 782.429  8.0206  277.605 2.5761 282.248 3.2350 -4.643677      4.135338 
1 1 1 13 13 18 o 239.846 1.9124 575.884  6.4769  242.152 2.6104 237.540 2.7955 4.611603       3.824809 
1 1 1 13 13 20 o 238.479 2.1301 569.012  7.0823  238.175 2.7076 238.782 3.2890 -0.6065521     4.260158 
1 1 1 13 13 22 o 227.042 1.8384 516.835  5.8402  229.726 2.3625 224.358 2.8175 5.367249       3.676888 
1 1 1 13 13 24 f 161.185 1.5221 259.971  3.4054  161.293 1.9002 161.077 2.3784 0.2157288      3.044228 
1 1 1 13 13 26 o 98.682  1.4195 97.465   1.9773  99.136  1.9322 98.227  2.0801 0.9093170      2.839051 
1 1 1 13 13 28 o 48.029  2.2567 23.098   1.5297  48.424  3.2964 47.634  3.0830 0.7899170      4.513485 
1 1 1 13 13 30 o 103.471 1.6924 106.886  2.4081  102.409 2.0575 104.534 2.6876 -2.124527      3.384723 
1 1 1 13 13 32 o 152.384 1.6252 232.853  3.4444  153.411 2.0394 151.358 2.5311 2.053574       3.250489 
1 1 1 13 13 34 o 125.691 1.5647 158.384  2.7742  126.842 2.1142 124.541 2.3071 2.301765       3.129310 
1 1 1 13 13 36 o 33.630  3.0414 11.382   1.4303  29.757  4.5060 37.503  4.0861 -7.745977      6.082793 
1 1 1 13 13 38 o 35.067  4.3732 12.960   1.9454  36.386  4.3870 33.749  7.5666 2.637650       8.746360 
1 1 1 13 13 40 o 80.140  1.9915 65.062   2.2183  82.500  2.4766 77.781  3.1194 4.719528       3.983026 
1 1 1 13 13 42 o 55.259  2.6322 30.886   1.9933  54.197  3.1809 56.320  4.1947 -2.123543      5.264391 
1 1 1 13 13 44 o 33.447  4.7878 12.778   2.1033  36.934  4.8405 29.959  8.2622 6.974791       9.575695 
1 1 1 13 13 46 o 34.928  4.5422 13.687   2.1033  34.595  5.1679 35.260  7.4713 -0.6655960     9.084415 
1 1 1 13 13 48 f 16.483  5.2134 -0.5058  2.3384  12.409  5.8521 20.556  8.6298 -8.147757      10.42690 
1 1 1 13 13 50 o 25.537  4.7530 8.4209   2.1246  33.076  5.4051 17.998  7.8198 15.07853       9.506030 
1 1 1 13 14 1  o 314.606 2.3681 990.035  10.532  315.426 3.4008 313.786 3.2964 1.639832       4.736216 
1 1 1 13 14 3  o 121.545 1.3939 147.730  2.3906  121.754 2.0452 121.335 1.8944 0.4190369      2.787816 
1 1 1 13 14 5  o 148.237 1.5680 219.093  3.2731  152.564 2.3018 143.910 2.1297 8.654419       3.135924 
1 1 1 13 14 7  o 103.471 1.4399 107.077  2.1071  103.625 2.0334 103.316 2.0394 0.3085403      2.879900 
1 1 1 13 14 9  o 312.242 2.2274 975.241  9.8263  312.699 3.2262 311.784 3.0719 0.9141541      4.454754 
1 1 1 13 14 11 o 293.685 2.2005 862.950  9.1145  293.375 3.2428 293.995 2.9754 -0.6191406     4.401030 
1 1 1 13 14 13 o 221.031 1.7630 488.114  5.3425  220.117 2.1175 221.946 2.8193 -1.828827      3.525979 
1 1 1 13 14 15 o 254.484 1.8985 646.500  6.7064  252.062 2.3811 256.905 2.9576 -4.842255      3.796996 
1 1 1 13 14 17 o 229.175 1.9022 524.894  6.1416  226.660 2.5635 231.689 2.8110 -5.029037      3.804346 
1 1 1 13 14 19 o 299.244 2.3205 889.281  9.3272  293.004 2.6586 305.484 3.8041 -12.48026      4.641001 
1 1 1 13 14 21 o 293.318 2.2939 863.345  9.3653  296.841 2.8823 289.794 3.5694 7.047150       4.587827 
1 1 1 13 14 23 o 142.300 1.5462 202.698  3.0701  142.688 1.9689 141.911 2.3846 0.7762909      3.092438 
1 1 1 13 14 25 o 206.236 1.8709 425.079  5.3522  204.866 2.3375 207.607 2.9218 -2.741074      3.741761 
1 1 1 13 14 27 o 65.188  1.9642 42.841   1.7673  67.010  2.3821 63.367  3.1237 3.643471       3.928329 
1 1 1 13 14 29 o 104.007 1.5416 108.278  2.2662  106.615 2.1560 101.400 2.2039 5.215187       3.083110 
1 1 1 13 14 31 o 72.049  1.9107 51.909   1.9427  70.238  2.6363 73.859  2.7664 -3.620491      3.821348 
1 1 1 13 14 33 o 106.130 1.7524 112.875  2.5930  106.093 2.2268 106.167 2.7064 -0.7442474E-01 3.504715 
1 1 1 13 14 35 f 62.807  2.6298 40.012   2.1655  64.007  2.7932 61.607  4.4566 2.399582       5.259526 
1 1 1 13 14 37 o 63.416  2.2335 40.716   1.9608  65.363  2.7352 61.468  3.5318 3.894844       4.467056 
1 1 1 13 14 39 o 41.486  3.1514 17.319   1.8318  38.018  4.3666 44.954  4.5451 -6.935974      6.302802 
1 1 1 13 14 41 o 46.608  3.0156 22.105   1.9464  45.782  3.7655 47.433  4.7114 -1.651001      6.031281 
1 1 1 13 14 43 o 29.975  4.3660 9.9196   1.7673  29.629  5.5919 30.321  6.7066 -0.6925411     8.732023 
1 1 1 13 14 45 o 25.437  4.9738 7.4111   1.8164  24.123  6.4787 26.751  7.5486 -2.627987      9.947572 
1 1 1 13 14 47 o 46.281  3.4017 23.042   2.1654  46.663  4.1050 45.898  5.4254 0.7651863      6.803385 
1 1 1 13 14 49 o 11.756  4.0044 -4.3171  1.9773  11.929  5.7062 11.583  5.6196 0.3463392      8.008763 
1 1 1 13 15 0  o 473.087 4.2657 2239.36  40.353  473.087 4.2657 ?       ?      0.000000       0.000000 
1 1 1 13 15 2  o 412.293 2.7758 1700.17  16.178  416.780 3.9679 407.807 3.8829 8.972656       5.551683 
1 1 1 13 15 4  o 421.559 2.8624 1778.15  17.014  421.601 4.2254 421.517 3.8627 0.8370972E-01  5.724874 
1 1 1 13 15 6  o 480.028 3.2026 2306.08  21.741  479.410 4.5283 480.646 4.5299 -1.235992      6.405154 
1 1 1 13 15 8  o 119.812 1.7355 143.584  2.9357  125.007 2.4006 114.616 2.5069 10.39067       3.470941 
1 1 1 13 15 10 o 106.829 1.6913 114.062  2.5476  105.874 2.2917 107.784 2.4881 -1.909660      3.382651 
1 1 1 13 15 12 o 312.969 2.1352 979.942  9.4481  313.375 3.0563 312.563 2.9825 0.8119202      4.270366 
1 1 1 13 15 14 o 354.508 2.6112 1258.47  12.715  355.180 3.1460 353.836 4.1684 1.344116       5.222359 
1 1 1 13 15 16 o 159.252 1.6747 253.430  3.7499  157.813 2.2253 160.691 2.5033 -2.877487      3.349384 
1 1 1 13 15 18 o 142.616 1.6170 203.577  3.1533  142.828 1.9223 142.405 2.6006 0.4227448      3.233907 
1 1 1 13 15 20 o 215.909 2.0068 466.245  5.9341  215.447 2.4005 216.371 3.2166 -0.9243622     4.013577 
1 1 1 13 15 22 o 45.018  2.4076 20.219   1.5218  46.148  3.5974 43.888  3.2007 2.259857       4.815156 
1 1 1 13 15 24 o 33.938  2.7992 11.557   1.3409  35.161  3.8135 32.715  4.0986 2.445816       5.598366 
1 1 1 13 15 26 o 63.576  2.0546 39.907   1.8164  67.931  3.1018 59.221  2.6954 8.710358       4.109291 
1 1 1 13 15 28 o 68.136  1.8145 46.961   1.7145  71.610  2.2291 64.662  2.8636 6.948563       3.628926 
1 1 1 13 15 30 o 158.716 2.1370 252.181  4.3777  158.435 2.2165 158.996 3.6544 -0.5610199     4.274086 
1 1 1 13 15 32 o 28.541  4.0893 8.5202   1.5937  26.999  5.8409 30.083  5.7247 -3.083321      8.178574 
1 1 1 13 15 34 o 102.348 1.7027 105.080  2.4479  102.709 2.2380 101.987 2.5669 0.7217789      3.405489 
1 1 1 13 15 36 o 60.531  2.2789 36.774   1.9344  59.872  2.9861 61.190  3.4435 -1.318253      4.557845 
1 1 1 13 15 38 o 52.295  2.2881 27.559   1.6914  53.508  3.2219 51.082  3.2499 2.425991       4.576264 
1 1 1 13 15 40 o 59.370  2.4097 35.866   2.0067  61.343  3.1226 57.397  3.6711 3.946789       4.819476 
1 1 1 13 15 42 o 61.634  2.4314 39.230   2.0354  63.841  2.8004 59.427  3.9754 4.414276       4.862723 
1 1 1 13 15 44 o 17.004  5.1184 1.1131   2.0318  15.127  6.3878 18.880  7.9992 -3.752192      10.23675 
1 1 1 13 15 46 o 51.980  2.8116 28.678   1.9702  54.532  3.1614 49.428  4.6504 5.103836       5.623265 
1 1 1 13 15 48 o 21.473  5.1297 4.3671   2.3774  26.893  6.8617 16.052  7.6271 10.84126       10.25944 
1 1 1 13 15 50 o 18.805  5.2595 3.8406   2.1004  14.891  6.5228 22.719  8.2524 -7.828765      10.51899 
1 1 1 13 16 1  o 390.666 2.7853 1527.19  15.388  391.239 3.9168 390.093 3.9611 1.146179       5.570587 
1 1 1 13 16 3  o 449.466 3.1437 2020.35  19.965  456.572 4.5171 442.361 4.3735 14.21024       6.287411 
1 1 1 13 16 5  o 279.395 2.1815 780.328  8.6080  283.036 3.1583 275.754 3.0101 7.281250       4.362983 
1 1 1 13 16 7  o 180.217 1.6791 324.829  4.2742  180.605 2.4394 179.829 2.3079 0.7765045      3.358144 
1 1 1 13 16 9  o 302.331 2.2345 915.100  9.5447  297.144 3.2447 307.517 3.0730 -10.37277      4.468904 
1 1 1 13 16 11 o 203.679 1.7407 414.726  5.0023  205.337 2.5498 202.021 2.3704 3.316467       3.481462 
1 1 1 13 16 13 o 149.173 1.5363 221.231  3.1533  152.504 2.4283 145.841 1.8826 6.662857       3.072609 
1 1 1 13 16 15 o 120.544 1.7229 145.339  2.9357  121.470 2.4705 119.619 2.4020 1.851379       3.445767 
1 1 1 13 16 17 o 254.922 2.2771 646.551  7.6190  251.498 2.4626 258.347 3.8308 -6.848999      4.554103 
1 1 1 13 16 19 o 281.740 2.3296 795.992  9.0508  283.637 2.8364 279.844 3.6963 3.792755       4.659153 
1 1 1 13 16 21 o 115.964 1.6346 134.275  2.6756  120.035 2.3405 111.893 2.2825 8.142281       3.269239 
1 1 1 13 16 23 o 139.468 1.5269 195.160  2.9996  144.323 2.0351 134.613 2.2768 9.709381       3.053734 
1 1 1 13 16 25 o 129.222 2.0875 165.949  3.4215  127.398 2.1050 131.045 3.6056 -3.647278      4.175058 
1 1 1 13 16 27 f 57.446  2.4376 32.801   1.9464  55.187  3.1239 59.706  3.7430 -4.518890      4.875263 
1 1 1 13 16 29 f 158.104 1.7181 249.725  3.7927  156.127 2.2084 160.081 2.6325 -3.954163      3.436157 
1 1 1 13 16 31 o 22.652  5.0725 5.0756   1.8571  20.882  7.6800 24.422  6.6287 -3.540594      10.14500 
1 1 1 13 16 33 o 86.205  1.8768 75.014   2.2555  89.298  2.3596 83.112  2.9193 6.185501       3.753690 
1 1 1 13 16 35 o 44.300  2.9673 19.820   1.8429  43.841  4.5148 44.758  3.8517 -0.9165115     5.934603 
1 1 1 13 16 37 o 105.162 1.7384 110.948  2.5824  102.417 2.4314 107.907 2.4852 -5.490189      3.476771 
1 1 1 13 16 39 o 28.641  4.5105 8.8205   1.7787  25.905  6.4303 31.376  6.3269 -5.470665      9.021021 
1 1 1 13 16 41 o 16.899  5.0715 0.6310   2.1033  16.986  6.8430 16.812  7.4868 0.1742001      10.14293 
1 1 1 13 16 43 o 34.314  4.8839 13.497   2.1655  36.809  4.8571 31.820  8.4746 4.988539       9.767762 
1 1 1 13 16 45 o 19.691  5.4061 3.0504   2.2447  15.490  6.8181 23.892  8.3915 -8.401712      10.81222 
1 1 1 13 16 47 o 18.379  5.4999 2.4705   2.2544  16.839  6.7462 19.918  8.6881 -3.078682      10.99975 
1 1 1 13 16 49 o 20.290  5.0979 4.4307   2.1987  25.879  7.6295 14.701  6.7634 11.17771       10.19578 
1 1 1 13 17 0  o 125.356 2.3449 157.327  5.8742  125.356 2.3449 ?       ?      0.000000       0.000000 
1 1 1 13 17 2  o 201.928 1.7441 407.854  4.9795  201.486 2.4401 202.370 2.4926 -0.8837738     3.488115 
1 1 1 13 17 4  o 117.772 1.5158 138.589  2.5120  118.828 2.2568 116.717 2.0241 2.110870       3.031534 
1 1 1 13 17 6  o 397.939 2.7293 1585.06  15.356  392.259 3.9066 403.618 3.8125 -11.35870      5.458655 
1 1 1 13 17 8  o 246.268 2.0174 606.766  7.0183  246.304 2.9294 246.232 2.7746 0.7131958E-01  4.034797 
1 1 1 13 17 10 o 367.290 2.6692 1350.45  13.841  366.687 3.9005 367.892 3.6447 -1.204773      5.338305 
1 1 1 13 17 12 o 499.104 3.3791 2495.16  23.839  500.290 4.8626 497.919 4.6934 2.370209       6.758151 
1 1 1 13 17 14 o 319.635 2.4870 1023.02  11.139  319.069 3.7822 320.200 3.2304 -1.130859      4.973965 
1 1 1 13 17 16 o 370.192 2.7987 1370.13  14.610  362.523 3.8220 377.861 4.0893 -15.33725      5.597299 
1 1 1 13 17 18 o 189.755 1.9027 359.082  4.8858  187.861 2.2092 191.649 3.0984 -3.787979      3.805371 
1 1 1 13 17 20 o 126.859 1.8114 160.041  3.0380  124.993 1.9922 128.726 3.0257 -3.732864      3.622708 
1 1 1 13 17 22 o 154.296 1.8753 236.544  3.9215  150.971 2.1992 157.621 3.0382 -6.650589      3.750613 
1 1 1 13 17 24 o 219.634 1.9532 482.738  5.9594  218.942 2.4497 220.326 3.0429 -1.383804      3.906448 
1 1 1 13 17 26 o 125.163 1.7503 156.719  3.0885  123.921 2.3701 126.404 2.5762 -2.482574      3.500603 
1 1 1 13 17 28 o 95.400  1.7328 91.331   2.3266  97.347  2.2957 93.454  2.5963 3.892982       3.465662 
1 1 1 13 17 30 o 38.229  3.4305 14.749   1.8517  39.481  4.6900 36.976  5.0078 2.505344       6.861012 
1 1 1 13 17 32 o 30.346  3.8662 9.3898   1.6125  33.693  5.3062 26.999  5.6245 6.693277       7.732454 
1 1 1 13 17 34 o 34.562  4.7264 12.653   2.2275  38.383  5.4896 30.742  7.6953 7.640802       9.452703 
1 1 1 13 17 36 o 111.725 1.8634 125.495  2.9246  111.962 2.4522 111.487 2.8063 0.4746246      3.726765 
1 1 1 13 17 38 o 14.245  4.5357 -1.7048  1.8964  12.527  5.7995 15.963  6.9755 -3.435434      9.071446 
1 1 1 13 17 40 o 36.534  4.5186 14.523   2.1246  38.371  4.6592 34.697  7.7435 3.674400       9.037134 
1 1 1 13 17 42 o 22.805  5.3432 5.5490   1.9933  18.865  6.9460 26.745  8.1212 -7.879944      10.68643 
1 1 1 13 17 44 o 13.877  4.5128 -1.9494  2.0253  13.405  6.1265 14.350  6.6278 -0.9444885     9.025618 
1 1 1 13 17 46 o 15.651  4.8768 0.0948   2.0761  13.303  6.0993 17.999  7.6112 -4.695886      9.753613 
1 1 1 13 17 48 o 12.640  4.2339 -2.7669  1.9865  11.771  5.5947 13.509  6.3564 -1.738435      8.467832 
1 1 1 13 18 1  o 188.808 1.7471 356.048  4.6392  191.204 2.6047 186.411 2.3292 4.792892       3.494223 
1 1 1 13 18 3  o 354.184 2.4222 1255.41  12.131  352.857 3.4562 355.510 3.3945 -2.652649      4.844359 
1 1 1 13 18 5  o 410.001 2.9068 1681.64  16.841  403.629 4.0497 416.373 4.1711 -12.74329      5.813608 
1 1 1 13 18 7  o 225.393 1.9847 508.615  6.3206  221.581 2.8816 229.204 2.7300 -7.622864      3.969452 
1 1 1 13 18 9  o 432.884 3.1029 1876.59  18.995  433.685 4.4021 432.084 4.3741 1.601379       6.205740 
1 1 1 13 18 11 o 290.535 2.2175 845.065  9.0798  289.546 3.2857 291.524 2.9787 -1.977509      4.434947 
1 1 1 13 18 13 o 140.179 1.4706 196.299  2.8768  141.244 2.2603 139.114 1.8818 2.129303       2.941111 
1 1 1 13 18 15 o 165.922 1.9124 275.227  4.4248  165.068 2.4369 166.775 2.9480 -1.706924      3.824804 
1 1 1 13 18 17 o 65.123  2.0897 42.265   1.8815  66.242  3.2772 64.003  2.5938 2.239555       4.179490 
1 1 1 13 18 19 o 148.233 1.6824 219.511  3.4700  147.038 2.1278 149.427 2.6065 -2.389297      3.364751 
1 1 1 13 18 21 o 316.973 2.5254 1001.96  10.973  312.084 3.0484 321.862 4.0271 -9.777466      5.050783 
1 1 1 13 18 23 o 252.776 2.2324 637.353  7.9195  245.064 2.9702 260.487 3.3336 -15.42288      4.464894 
1 1 1 13 18 25 o 149.412 1.7099 222.759  3.5734  146.524 2.2224 152.300 2.5993 -5.775574      3.419866 
1 1 1 13 18 27 o 118.683 1.6636 141.039  2.7478  118.673 2.0984 118.694 2.5821 -0.2131653E-01 3.327224 
1 1 1 13 18 29 o 60.797  2.0046 37.019   1.7216  62.524  2.8594 59.071  2.8104 3.453049       4.009287 
1 1 1 13 18 31 o 68.877  2.1059 47.712   2.0352  69.820  2.7435 67.933  3.1957 1.887276       4.211783 
1 1 1 13 18 33 o 33.124  3.8365 11.432   1.7216  36.090  4.5999 30.157  6.1414 5.932833       7.673048 
1 1 1 13 18 35 o 54.621  2.6097 30.107   1.9986  54.928  3.9523 54.314  3.4092 0.6142426      5.219480 
1 1 1 13 18 37 o 33.896  4.2463 12.132   1.9794  36.432  5.4330 31.361  6.5274 5.071779       8.492588 
1 1 1 13 18 39 o 31.380  4.7491 10.787   2.0352  31.337  7.0921 31.423  6.3180 -0.8644295E-01 9.498171 
1 1 1 13 18 41 o 15.292  4.6126 0.5224   1.7414  14.096  6.1151 16.489  6.9072 -2.393108      9.225140 
1 1 1 13 18 43 o 36.977  4.1632 15.371   2.0746  41.441  4.9304 32.512  6.7098 8.928902       8.326460 
1 1 1 13 18 45 o 18.198  5.5140 1.7943   2.4732  15.858  6.9992 20.539  8.5222 -4.680828      11.02796 
1 1 1 13 18 47 o 27.607  5.3659 9.9456   2.1409  24.653  7.2765 30.560  7.8881 -5.907495      10.73174 
1 1 1 13 19 0  o 371.546 3.5408 1381.47  26.306  371.546 3.5408 ?       ?      0.000000       0.000000 
1 1 1 13 19 2  o 363.101 2.6240 1319.69  13.471  369.102 3.6847 357.099 3.7370 12.00348       5.248025 
1 1 1 13 19 4  o 253.705 2.0461 642.906  7.3228  259.259 2.9800 248.151 2.8046 11.10716       4.092222 
1 1 1 13 19 6  o 148.794 1.6561 221.576  3.4725  148.212 2.4556 149.377 2.2227 -1.164536      3.312156 
1 1 1 13 19 8  o 208.255 2.0489 434.007  6.0337  210.461 2.8821 206.048 2.9129 4.413437       4.097764 
1 1 1 13 19 10 o 196.185 1.8644 384.912  5.1687  201.893 2.6249 190.476 2.6482 11.41727       3.728709 
1 1 1 13 19 12 o 281.072 2.5524 791.992  9.9974  282.766 3.2290 279.378 3.9538 3.388000       5.104851 
1 1 1 13 19 14 o 195.643 1.8126 383.152  5.0104  194.123 2.6313 197.163 2.4936 -3.040131      3.625197 
1 1 1 13 19 16 o 253.566 2.1730 644.510  7.7104  251.443 3.3266 255.689 2.7969 -4.246597      4.346084 
1 1 1 13 19 18 o 202.969 1.8621 412.481  5.3084  202.454 2.8069 203.485 2.4475 -1.031052      3.724119 
1 1 1 13 19 20 o 206.353 1.8520 426.083  5.3725  205.687 2.4524 207.020 2.7758 -1.333572      3.703964 
1 1 1 13 19 22 o 91.963  1.6612 84.751   2.1004  92.323  2.0056 91.602  2.6488 0.7210464      3.322421 
1 1 1 13 19 24 o 96.296  1.6654 92.806   2.2626  95.903  2.2637 96.690  2.4434 -0.7862854     3.330780 
1 1 1 13 19 26 o 63.386  1.9939 40.130   1.7787  61.633  2.6936 65.140  2.9406 -3.507568      3.987782 
1 1 1 13 19 28 o 119.062 2.0680 140.567  3.3049  115.514 2.3768 122.610 3.3849 -7.095680      4.136072 
1 1 1 13 19 30 o 31.604  4.3660 10.422   1.8701  33.644  6.3059 29.564  6.0401 4.080458       8.731998 
1 1 1 13 19 32 f 81.969  1.9046 67.498   2.1987  82.994  2.5388 80.945  2.8397 2.049171       3.809155 
1 1 1 13 19 34 o 113.884 2.0061 130.651  3.2216  115.979 2.6976 111.789 2.9701 4.189087       4.012297 
1 1 1 13 19 36 o 68.240  2.3176 47.074   2.2329  67.799  3.3904 68.682  3.1608 -0.8829880     4.635231 
1 1 1 13 19 38 o 15.314  4.6120 0.3158   1.7553  15.646  6.6190 14.982  6.4242 0.6642370      9.223964 
1 1 1 13 19 40 o 17.891  4.8983 2.0627   1.8830  21.158  7.3666 14.624  6.4582 6.533575       9.796679 
1 1 1 13 19 42 o 29.223  5.7006 10.503   2.5476  33.875  7.3682 24.571  8.7003 9.304358       11.40112 
1 1 1 13 19 44 f 17.197  5.3644 0.3895   2.5285  15.102  6.8779 19.292  8.2341 -4.189763      10.72871 
1 1 1 13 19 46 o 21.110  5.4944 5.6771   2.1540  21.016  7.4713 21.203  8.0582 -0.1868515     10.98889 
1 1 1 13 20 1  f 95.251  1.9910 90.795   2.6817  94.447  2.8394 96.055  2.7918 -1.608818      3.982038 
1 1 1 13 20 3  o 132.827 1.8695 176.499  3.5106  131.843 2.6152 133.811 2.6722 -1.967926      3.738930 
1 1 1 13 20 5  o 106.004 1.6208 112.224  2.4112  107.295 2.4399 104.713 2.1342 2.581940       3.241554 
1 1 1 13 20 7  o 207.531 1.8626 430.970  5.4441  207.616 2.7679 207.446 2.4931 0.1694641      3.725154 
1 1 1 13 20 9  o 270.014 2.2997 729.925  8.6804  269.882 3.5251 270.146 2.9544 -0.2643433     4.599496 
1 1 1 13 20 11 o 519.002 3.8058 2701.36  27.838  518.767 5.1202 519.237 5.6320 -0.4694824     7.611560 
1 1 1 13 20 13 f 215.362 1.9811 464.189  6.0337  215.539 2.8142 215.185 2.7892 0.3538818      3.962272 
1 1 1 13 20 15 o 281.794 2.3007 795.252  9.1535  281.091 3.3619 282.497 3.1417 -1.405457      4.601345 
1 1 1 13 20 17 o 213.935 1.9649 458.528  5.9353  210.960 2.8753 216.910 2.6787 -5.949066      3.929759 
1 1 1 13 20 19 o 171.067 1.7469 292.946  4.1899  171.053 2.6503 171.080 2.2766 -0.2713013E-01 3.493860 
1 1 1 13 20 21 o 130.180 1.8566 169.619  3.4085  129.403 2.5165 130.956 2.7304 -1.552231      3.713174 
1 1 1 13 20 23 o 188.121 2.0521 354.460  5.4575  188.692 2.9439 187.550 2.8597 1.142807       4.104256 
1 1 1 13 20 25 o 107.860 1.7392 116.446  2.6402  107.249 2.3219 108.471 2.5900 -1.222481      3.478395 
1 1 1 13 20 27 o 126.655 1.7650 160.774  3.1603  124.112 2.5209 129.198 2.4710 -5.085968      3.529973 
1 1 1 13 20 29 o 157.683 1.8330 249.436  4.0854  158.420 2.5392 156.947 2.6444 1.472687       3.666093 
1 1 1 13 20 31 f 92.310  2.7245 86.354   3.2777  90.862  4.6379 93.758  2.8603 -2.895851      5.449002 
1 1 1 13 20 33 o 113.984 2.0919 130.806  3.3154  113.739 3.2560 114.229 2.6272 -0.4891357     4.183702 
1 1 1 13 20 35 o 54.096  3.7197 31.107   2.4802  50.237  6.6091 57.956  3.4153 -7.718800      7.439433 
1 1 1 13 20 37 o 62.028  2.9281 39.220   2.5141  62.579  4.5915 61.477  3.6351 1.101990       5.856262 
1 1 1 13 20 39 o 41.424  3.1674 17.878   1.8517  42.965  4.3097 39.882  4.6428 3.082783       6.334733 
1 1 1 13 20 41 o 20.830  5.5768 4.2681   2.1367  19.312  6.9619 22.347  8.7141 -3.034607      11.15364 
1 1 1 13 20 43 o 33.689  4.3769 13.050   2.0067  36.901  5.1910 30.477  7.0486 6.424030       8.753814 
1 1 1 13 20 45 f 16.874  4.6841 1.7272   1.8787  20.771  7.1278 12.977  6.0792 7.794520       9.368199 
1 1 1 13 20 47 f 17.964  5.5133 2.9986   2.5383  16.722  7.2446 19.206  8.3128 -2.483526      11.02666 
1 1 1 13 21 0  f 129.302 2.4216 167.416  6.2573  129.302 2.4216 ?       ?      0.000000       0.000000 
1 1 1 13 21 2  o 156.990 1.7407 246.289  3.8500  158.997 2.5701 154.982 2.3483 4.015091       3.481394 
1 1 1 13 21 4  o 103.151 1.7506 106.407  2.5524  105.006 2.4931 101.295 2.4583 3.710732       3.501247 
1 1 1 13 21 6  o 190.762 1.7762 364.070  4.7811  191.210 2.6046 190.316 2.4156 0.8939514      3.552358 
1 1 1 13 21 8  f 303.858 2.4795 923.450  10.561  305.940 3.7567 301.777 3.2372 4.162659       4.959023 
1 1 1 13 21 10 o 172.924 2.1233 299.681  5.1435  174.302 2.7474 171.546 3.2382 2.756683       4.246664 
1 1 1 13 21 12 o 268.128 2.8411 723.922  10.068  264.823 4.7739 271.432 3.0816 -6.608826      5.682104 
1 1 1 13 21 14 o 166.876 1.9423 277.140  4.3814  169.620 3.1620 164.132 2.2563 5.487640       3.884511 
1 1 1 13 21 16 f 25.877  5.4176 6.3812   1.9670  30.389  8.6301 21.364  6.5515 9.024988       10.83516 
1 1 1 13 21 18 o 114.928 2.0169 130.371  3.0269  118.496 3.3947 111.360 2.1788 7.135460       4.033757 
1 1 1 13 21 20 o 166.246 1.8552 276.978  4.3080  165.591 2.8534 166.901 2.3719 -1.310638      3.710485 
1 1 1 13 21 22 o 159.689 1.9548 255.794  4.4048  155.347 2.8771 164.031 2.6470 -8.683823      3.909510 
1 1 1 13 21 24 o 54.142  2.6357 29.343   1.9865  54.886  4.0717 53.399  3.3480 1.486256       5.271410 
1 1 1 13 21 26 o 102.665 2.0670 105.715  2.9996  103.156 2.9711 102.175 2.8746 0.9813232      4.134064 
1 1 1 13 21 28 o 24.951  4.9058 6.4859   1.8147  27.957  6.8875 21.946  6.9879 6.010643       9.811640 
1 1 1 13 21 30 o 127.767 1.9613 162.600  3.4951  122.825 2.5473 132.710 2.9830 -9.885040      3.922609 
1 1 1 13 21 32 o 38.013  4.2834 15.105   2.2329  36.031  6.6277 39.995  5.4279 -3.964844      8.566737 
1 1 1 13 21 34 o 30.893  3.7713 9.9913   1.5860  29.952  5.9673 31.834  4.6132 -1.881828      7.542615 
1 1 1 13 21 36 o 40.577  4.1713 17.707   2.2626  35.917  6.8242 45.238  4.7989 -9.321388      8.342603 
1 1 1 13 21 38 o 17.480  5.0236 1.9030   1.9427  16.907  6.9057 18.053  7.2978 -1.146351      10.04722 
1 1 1 13 21 40 f 20.078  5.2853 3.5528   2.1385  23.388  7.7392 16.769  7.2003 6.618563       10.57070 
1 1 1 13 21 42 o 22.970  5.2073 6.0137   2.0746  18.080  7.3022 27.861  7.4258 -9.781763      10.41459 
1 1 1 13 21 44 o 17.719  5.3213 2.2986   2.2776  17.040  7.0722 18.399  7.9530 -1.358067      10.64266 
1 1 1 13 21 46 o 25.266  5.2567 8.9211   2.2447  30.868  6.8024 19.665  8.0163 11.20302       10.51346 
1 1 1 13 22 1  o 121.299 1.8621 147.203  3.1874  120.934 2.5343 121.664 2.7290 -0.7301102     3.724271 
1 1 1 13 22 3  o 354.727 2.8064 1259.24  14.058  359.682 4.0652 349.772 3.8700 9.909637       5.612741 
1 1 1 13 22 5  o 276.610 2.4977 766.189  9.6718  276.477 3.8106 276.744 3.2301 -0.2671509     4.995387 
1 1 1 13 22 7  o 121.835 1.9654 148.425  3.3732  120.714 2.6447 122.955 2.9081 -2.241447      3.930809 
1 1 1 13 22 9  o 259.949 2.3416 674.764  8.5014  256.054 3.0173 263.843 3.5816 -7.788940      4.683171 
1 1 1 13 22 11 o 166.507 1.9803 278.080  4.5796  164.974 3.0963 168.039 2.4698 -3.065033      3.960669 
1 1 1 13 22 13 o 173.254 1.8161 299.943  4.3988  174.897 2.7746 171.611 2.3440 3.286362       3.632167 
1 1 1 13 22 15 o 98.724  1.5828 97.356   2.1802  99.750  2.4324 97.698  2.0260 2.051682       3.165626 
1 1 1 13 22 17 o 159.606 1.8046 254.919  4.0120  160.085 2.7920 159.128 2.2871 0.9570770      3.609179 
1 1 1 13 22 19 o 69.849  2.4258 46.887   2.1140  74.822  4.1815 64.875  2.4605 9.946907       4.851687 
1 1 1 13 22 21 o 70.571  2.3490 49.992   2.3091  70.101  3.6433 71.040  2.9660 -0.9388199     4.697980 
1 1 1 13 22 23 o 98.129  2.1231 95.567   2.6689  100.043 3.6379 96.214  2.1900 3.828987       4.246204 
1 1 1 13 22 25 o 44.622  3.0338 19.964   1.9070  42.138  4.2427 47.105  4.3376 -4.966518      6.067554 
1 1 1 13 22 27 o 66.707  2.1490 44.586   1.9702  67.240  3.4185 66.173  2.6052 1.066872       4.298082 
1 1 1 13 22 29 o 78.692  1.7600 62.257   1.9344  77.658  2.7132 79.726  2.2424 -2.068008      3.519978 
1 1 1 13 22 31 o 57.526  2.4385 33.433   1.9773  56.455  3.6192 58.596  3.2690 -2.141426      4.876980 
1 1 1 13 22 33 o 85.013  1.8891 72.854   2.2626  84.086  2.8096 85.939  2.5261 -1.853073      3.778209 
1 1 1 13 22 35 o 55.497  2.7669 31.414   2.1709  56.302  3.8558 54.692  3.9694 1.610729       5.533837 
1 1 1 13 22 37 o 20.482  5.3514 4.0039   2.0746  22.151  7.7249 18.812  7.4078 3.339039       10.70275 
1 1 1 13 22 39 o 16.056  4.8365 0.3536   1.9646  15.447  7.1160 16.664  6.5522 -1.216797      9.673068 
1 1 1 13 22 41 o 17.405  4.8072 0.4540   1.9865  11.151  5.3769 23.659  7.9703 -12.50803      9.614376 
1 1 1 13 22 43 o 26.130  4.8523 8.4181   2.0108  33.315  6.3609 18.945  7.3293 14.37014       9.704627 
1 1 1 13 22 45 o 14.634  4.6066 -2.1363  2.2275  11.077  5.5051 18.190  7.3877 -7.113044      9.213265 
1 1 1 13 23 0  o 411.635 4.8876 1697.66  40.226  411.635 4.8876 ?       ?      0.000000       0.000000 
1 1 1 13 23 2  o 302.642 2.5809 918.059  10.965  304.142 3.3800 301.142 3.9013 2.999481       5.161830 
1 1 1 13 23 4  o 55.240  2.2953 30.320   1.7513  56.906  3.5905 53.575  2.8603 3.330795       4.590576 
1 1 1 13 23 6  o 106.784 1.9236 114.055  2.9020  105.233 2.6697 108.335 2.7701 -3.102364      3.847167 
1 1 1 13 23 8  o 95.876  1.8474 92.067   2.4640  95.567  2.8729 96.185  2.3234 -0.6175537     3.694854 
1 1 1 13 23 10 o 49.936  2.6712 25.424   1.7520  47.872  4.5349 52.001  2.8241 -4.129173      5.342329 
1 1 1 13 23 12 o 55.523  2.1952 30.781   1.7145  57.011  3.2479 54.036  2.9541 2.975891       4.390376 
1 1 1 13 23 14 o 160.179 1.8501 257.091  4.1703  159.251 2.7665 161.108 2.4572 -1.857040      3.700182 
1 1 1 13 23 16 o 161.174 2.0708 260.178  4.4440  161.235 3.4453 161.113 2.2986 0.1223755      4.141664 
1 1 1 13 23 18 o 263.750 2.4820 694.363  8.8955  267.126 4.0157 260.374 2.9182 6.752258       4.964005 
1 1 1 13 23 20 o 109.931 2.1724 121.582  3.3275  107.817 3.3756 112.045 2.7354 -4.227783      4.344765 
1 1 1 13 23 22 o 34.080  4.0634 11.857   1.8964  34.983  6.2483 33.176  5.1963 1.806236       8.126728 
1 1 1 13 23 24 o 189.231 2.1363 358.755  5.4991  190.182 3.4581 188.279 2.5095 1.902786       4.272689 
1 1 1 13 23 26 o 79.318  1.9930 63.146   2.2329  79.287  2.7381 79.350  2.8968 -0.6365204E-01 3.986027 
1 1 1 13 23 28 o 107.958 1.8844 117.102  2.8733  104.764 2.7426 111.151 2.5850 -6.387550      3.768848 
1 1 1 13 23 30 o 86.734  2.0894 75.910   2.5524  83.959  3.1180 89.509  2.7820 -5.549202      4.178729 
1 1 1 13 23 32 o 76.794  2.3244 59.661   2.5217  75.536  3.3812 78.051  3.1904 -2.515717      4.648801 
1 1 1 13 23 34 o 26.799  5.1481 7.9823   2.1156  31.449  6.3132 22.150  8.1335 9.299129       10.29614 
1 1 1 13 23 36 o 17.685  5.1676 0.7788   2.2626  20.522  7.7465 14.848  6.8415 5.674111       10.33513 
1 1 1 13 23 38 o 15.282  4.6501 -0.4333  1.9427  13.032  6.1178 17.531  7.0048 -4.499737      9.300291 
1 1 1 13 23 40 o 20.381  5.5453 3.9028   2.3196  23.696  8.3845 17.066  7.2597 6.630007       11.09066 
1 1 1 13 23 42 o 18.725  5.1944 3.5756   1.9986  18.482  7.1020 18.967  7.5821 -0.4843006     10.38871 
1 1 1 13 23 44 o 17.575  5.5003 2.0309   2.5386  14.739  6.6716 20.410  8.7466 -5.671128      11.00065 
1 1 1 13 24 1  o 331.957 2.7460 1104.32  12.816  332.068 3.6341 331.846 4.1176 0.2216187      5.491915 
1 1 1 13 24 3  f 252.090 2.5794 636.762  9.1940  250.794 3.6916 253.385 3.6035 -2.590195      5.158758 
1 1 1 13 24 5  o 67.029  2.2546 44.793   2.1271  69.879  3.2894 64.178  3.0842 5.700272       4.509145 
1 1 1 13 24 7  f 164.350 1.9344 269.797  4.3956  165.917 3.0402 162.783 2.3927 3.133881       3.868806 
1 1 1 13 24 9  o 124.862 2.1220 155.706  3.4979  125.686 3.5561 124.037 2.3165 1.649696       4.244041 
1 1 1 13 24 11 o 88.261  2.1929 77.492   2.6291  90.148  3.5414 86.374  2.5873 3.774742       4.385860 
1 1 1 13 24 13 o 138.489 1.8151 191.326  3.4951  140.932 2.8090 136.045 2.2997 4.887314       3.630293 
1 1 1 13 24 15 f 39.594  3.4486 15.835   1.9155  36.691  5.2206 42.497  4.5074 -5.805462      6.897239 
1 1 1 13 24 17 o 92.292  2.0534 84.918   2.5633  93.609  3.3423 90.976  2.3863 2.632965       4.106707 
1 1 1 13 24 19 o 97.635  2.0925 95.726   2.8506  96.795  3.2323 98.475  2.6584 -1.680244      4.185049 
1 1 1 13 24 21 o 95.260  1.8686 92.399   2.4247  90.038  3.0493 100.482 2.1605 -10.44378      3.737150 
1 1 1 13 24 23 o 22.957  4.9267 4.1662   2.0113  31.170  7.4624 14.744  6.4344 16.42538       9.853358 
1 1 1 13 24 25 o 41.933  3.7161 17.763   2.1913  42.732  5.5286 41.134  4.9672 1.597885       7.432247 
1 1 1 13 24 27 o 13.273  4.2816 -2.2234  1.7855  13.232  6.0076 13.315  6.1023 -0.8271790E-01 8.563239 
1 1 1 13 24 29 o 34.102  4.7021 12.420   2.1987  30.504  7.5632 37.700  5.5890 -7.195768      9.404220 
1 1 1 13 24 31 o 51.268  2.9379 26.964   2.0993  48.845  4.5752 53.690  3.6867 -4.844532      5.875706 
1 1 1 13 24 33 o 34.804  5.0399 13.383   2.3837  35.820  6.4763 33.788  7.7239 2.032269       10.07975 
1 1 1 13 24 35 o 44.442  3.9645 21.178   2.4578  40.599  6.1336 48.286  5.0249 -7.686699      7.929070 
1 1 1 13 24 37 o 45.547  3.1878 21.767   2.0253  45.408  4.9215 45.687  4.0529 -0.2789497     6.375558 
1 1 1 13 24 39 o 22.898  5.6069 6.0947   2.2951  20.684  8.3021 25.111  7.5381 -4.426746      11.21374 
1 1 1 13 24 41 o 20.609  5.4944 4.8656   2.2024  19.509  7.7266 21.709  7.8138 -2.199833      10.98888 
1 1 1 13 24 43 o 16.587  4.9915 1.6826   2.1634  18.642  7.3866 14.531  6.7156 4.110711       9.983029 
1 1 1 13 25 0  o 44.896  5.3919 21.071   4.7249  44.896  5.3919 ?       ?      0.000000       0.000000 
1 1 1 13 25 2  o 108.614 2.1408 118.126  3.2855  109.578 3.0883 107.649 2.9657 1.928772       4.281673 
1 1 1 13 25 4  o 125.122 2.0504 156.670  3.5598  125.608 3.2025 124.635 2.5615 0.9734116      4.100870 
1 1 1 13 25 6  o 116.744 1.9723 136.296  3.2514  112.294 2.7862 121.194 2.7923 -8.900528      3.944544 
1 1 1 13 25 8  o 280.848 2.4562 791.275  9.7136  279.051 3.6610 282.645 3.2756 -3.593811      4.912490 
1 1 1 13 25 10 o 207.165 2.0514 429.651  5.9775  208.343 3.0647 205.987 2.7278 2.356140       4.102795 
1 1 1 13 25 12 f 106.535 1.8147 113.857  2.6832  105.621 2.8413 107.448 2.2581 -1.827393      3.629317 
1 1 1 13 25 14 o 102.496 1.6614 104.645  2.3429  104.409 2.6296 100.584 2.0314 3.824722       3.322860 
1 1 1 13 25 16 o 114.931 1.8510 132.799  2.9110  113.540 2.9805 116.322 2.1956 -2.782219      3.701937 
1 1 1 13 25 18 o 66.677  2.6996 44.485   2.4538  67.579  4.3462 65.774  3.2035 1.804924       5.399240 
1 1 1 13 25 20 o 177.340 1.9328 315.599  4.7731  176.784 2.9978 177.895 2.4407 -1.110718      3.865683 
1 1 1 13 25 22 o 135.057 1.9987 183.816  3.6979  133.098 3.2141 137.015 2.3767 -3.916519      3.997403 
1 1 1 13 25 24 f 47.917  3.0986 23.381   1.9714  46.707  5.1947 49.126  3.3793 -2.418850      6.197174 
1 1 1 13 25 26 o 25.764  5.3045 7.0137   2.0157  25.451  8.3048 26.077  6.6016 -0.6260529     10.60902 
1 1 1 13 25 28 o 33.930  4.4172 12.195   2.0352  35.339  6.3764 32.522  6.1147 2.816845       8.834472 
1 1 1 13 25 30 o 46.367  3.4008 21.797   2.2056  50.221  4.9584 42.513  4.6559 7.708485       6.801696 
1 1 1 13 25 32 o 53.911  2.7788 29.832   2.0993  52.652  4.2444 55.171  3.5877 -2.519691      5.557570 
1 1 1 13 25 34 o 27.682  5.3297 8.8752   2.1709  30.393  7.2367 24.970  7.8265 5.423027       10.65945 
1 1 1 13 25 36 o 51.868  3.2864 28.236   2.3429  52.620  5.2177 51.115  3.9973 1.505611       6.572867 
1 1 1 13 25 38 o 16.663  4.7145 0.7909   1.9608  13.081  6.1927 20.245  7.1103 -7.163444      9.428980 
1 1 1 13 25 40 o 15.817  5.0314 -0.3244  2.3556  17.124  7.5323 14.510  6.6726 2.614687       10.06273 
1 1 1 13 25 42 o 27.735  5.2554 10.437   2.1156  29.825  6.5982 25.645  8.1817 4.179834       10.51075 
1 1 1 13 26 1  f 169.314 2.0536 287.218  4.9157  168.895 2.9488 169.733 2.8590 -0.8376923     4.107187 
1 1 1 13 26 3  o 139.896 1.7750 195.914  3.5106  141.992 2.5182 137.800 2.5021 4.192062       3.549904 
1 1 1 13 26 5  o 181.416 2.0033 329.482  5.1350  183.554 2.8872 179.279 2.7780 4.274719       4.006640 
1 1 1 13 26 7  o 125.641 1.8867 158.021  3.3494  126.652 2.7224 124.630 2.6128 2.022461       3.773348 
1 1 1 13 26 9  o 46.575  2.9248 21.696   1.8815  47.170  4.6023 45.980  3.6105 1.190304       5.849567 
1 1 1 13 26 11 o 55.488  2.7707 30.896   2.1634  55.591  4.1348 55.385  3.6891 0.2060471      5.541334 
1 1 1 13 26 13 o 37.312  4.5906 14.806   2.2123  33.692  7.8988 40.931  4.6799 -7.238609      9.181104 
1 1 1 13 26 15 o 60.078  3.0957 36.319   2.4973  60.061  5.1029 60.096  3.5062 -0.3498459E-01 6.191336 
1 1 1 13 26 17 o 69.608  2.3090 48.710   2.2662  65.943  3.3889 73.274  3.1370 -7.330383      4.617986 
1 1 1 13 26 19 o 27.638  5.6742 7.9260   2.2714  27.515  9.1373 27.762  6.7301 -0.2468472     11.34833 
1 1 1 13 26 21 o 95.523  1.9303 91.475   2.5383  95.813  3.0655 95.233  2.3466 0.5805817      3.860548 
1 1 1 13 26 23 o 142.761 1.8992 205.248  3.7538  140.755 2.9939 144.766 2.3376 -4.011124      3.798431 
1 1 1 13 26 25 o 74.191  2.4647 55.773   2.5141  72.904  3.9411 75.477  2.9609 -2.572578      4.929434 
1 1 1 13 26 27 o 30.586  5.0260 10.032   2.0507  29.210  8.6059 31.961  5.1942 -2.750969      10.05190 
1 1 1 13 26 29 o 74.659  2.2566 56.133   2.3003  75.796  3.6223 73.523  2.6922 2.273270       4.513208 
1 1 1 13 26 31 o 17.700  5.0743 1.8228   1.9464  19.861  7.7664 15.539  6.5329 4.322243       10.14865 
1 1 1 13 26 33 o 54.517  2.9141 30.916   2.2275  53.172  4.4431 55.862  3.7719 -2.689548      5.828230 
1 1 1 13 26 35 o 65.274  2.6306 44.263   2.4246  65.780  3.5915 64.768  3.8448 1.012428       5.261254 
1 1 1 13 26 37 o 25.979  5.3103 8.3302   2.1246  22.871  8.5333 29.087  6.3231 -6.216793      10.62063 
1 1 1 13 26 39 f 21.555  5.0699 5.3517   2.0511  17.049  7.3663 26.061  6.9681 -9.012419      10.13982 
1 1 1 13 26 41 o 18.629  5.4738 3.4872   2.4754  16.845  7.5810 20.413  7.8981 -3.567299      10.94765 
1 1 1 13 27 0  o 270.958 3.0171 735.174  16.346  270.958 3.0171 ?       ?      0.000000       0.000000 
1 1 1 13 27 2  o 154.521 1.9726 239.208  4.3097  153.486 2.8288 155.556 2.7501 -2.069946      3.945285 
1 1 1 13 27 4  o 100.609 1.9545 100.950  2.7478  103.034 2.9746 98.184  2.5362 4.850471       3.909038 
1 1 1 13 27 6  o 96.188  2.0220 92.648   2.7322  96.640  3.0393 95.737  2.6677 0.9023743      4.043994 
1 1 1 13 27 8  o 76.383  2.0692 58.487   2.2348  75.464  2.9614 77.303  2.8909 -1.839027      4.138495 
1 1 1 13 27 10 o 76.994  2.0595 59.536   2.2275  75.946  3.1107 78.042  2.6999 -2.095825      4.118984 
1 1 1 13 27 12 o 30.613  5.4147 9.7087   2.3193  34.865  7.8768 26.360  7.4318 8.505383       10.82936 
1 1 1 13 27 14 f 47.348  3.2125 22.386   1.9832  48.207  5.4305 46.490  3.4336 1.716599       6.424952 
1 1 1 13 27 16 o 158.890 2.0343 253.590  4.5633  156.366 2.9809 161.413 2.7690 -5.046921      4.068534 
1 1 1 13 27 18 o 72.027  2.4217 52.125   2.4379  72.301  3.7091 71.752  3.1146 0.5488434      4.843321 
1 1 1 13 27 20 o 114.012 1.7887 130.349  2.8506  114.150 2.7408 113.875 2.2989 0.2750854      3.577309 
1 1 1 13 27 22 o 62.318  2.6362 39.285   2.1655  61.892  4.4361 62.745  2.8493 -0.8525887     5.272315 
1 1 1 13 27 24 o 44.950  3.8201 20.250   2.0572  46.050  6.7941 43.850  3.4946 2.199608       7.640155 
1 1 1 13 27 26 f 79.876  2.4941 64.704   2.8036  78.631  3.7353 81.120  3.3059 -2.489006      4.988122 
1 1 1 13 27 28 o 34.253  5.2434 11.809   2.1693  39.433  8.8065 29.073  5.6936 10.36063       10.48670 
1 1 1 13 27 30 o 34.443  4.4400 12.987   2.1051  32.865  6.8325 36.022  5.6721 -3.157032      8.880095 
1 1 1 13 27 32 f 57.415  2.9860 34.086   2.3994  59.887  4.4779 54.942  3.9513 4.945259       5.971975 
1 1 1 13 27 34 o 23.236  5.2999 6.3727   1.9773  23.830  7.6094 22.643  7.3790 1.186928       10.59970 
1 1 1 13 27 36 o 13.766  4.5274 -2.5916  2.1540  13.773  6.4967 13.759  6.3074 0.1385498E-01  9.054847 
1 1 1 13 27 38 f 15.280  4.8087 -0.0639  1.9155  19.166  7.9988 11.394  5.3399 7.772083       9.617438 
1 1 1 13 27 40 o 17.529  5.1144 2.0505   2.2275  21.768  8.1094 13.290  6.2342 8.478611       10.22877 
1 1 1 13 28 1  o 189.209 1.8373 358.555  4.9132  186.975 2.5612 191.443 2.6348 -4.468307      3.674510 
1 1 1 13 28 3  o 112.826 1.8743 127.603  2.9275  112.684 2.9465 112.967 2.3174 -0.2836075     3.748602 
1 1 1 13 28 5  o 103.878 1.8696 108.074  2.7396  102.967 2.5424 104.789 2.7420 -1.821823      3.739297 
1 1 1 13 28 7  o 81.443  2.3802 66.489   2.6502  81.826  3.8236 81.061  2.8357 0.7653427      4.760329 
1 1 1 13 28 9  o 79.026  2.2489 62.924   2.4640  77.623  3.5371 80.429  2.7785 -2.806160      4.497893 
1 1 1 13 28 11 o 74.151  2.3028 55.427   2.3735  72.702  3.6008 75.600  2.8716 -2.897919      4.605626 
1 1 1 13 28 13 o 63.762  2.8700 40.902   2.5824  60.525  4.1143 66.999  4.0026 -6.474785      5.740064 
1 1 1 13 28 15 o 31.009  4.8860 9.7981   2.0123  35.342  7.4585 26.675  6.3136 8.667109       9.771917 
1 1 1 13 28 17 o 34.877  5.1804 12.608   2.4312  39.130  7.6146 30.624  7.0258 8.505880       10.36072 
1 1 1 13 28 19 o 79.523  2.8148 64.231   3.0016  78.032  4.6641 81.014  3.1526 -2.981720      5.629574 
1 1 1 13 28 21 o 33.230  5.0419 11.621   2.1851  34.577  8.2322 31.884  5.8236 2.692743       10.08383 
1 1 1 13 28 23 o 54.728  3.4598 31.605   2.4053  50.711  6.0437 58.745  3.3694 -8.033974      6.919511 
1 1 1 13 28 25 o 40.475  4.2939 17.500   2.2951  38.021  7.1481 42.928  4.7596 -4.906700      8.587720 
1 1 1 13 28 27 o 39.442  4.1012 14.936   1.9989  44.852  6.9755 34.032  4.3152 10.82044       8.202354 
1 1 1 13 28 29 o 16.566  5.1300 -0.0173  2.1537  17.451  7.9462 15.681  6.4905 1.769699       10.26010 
1 1 1 13 28 31 o 18.873  5.3782 2.6743   2.1469  20.193  8.1607 17.553  7.0075 2.640636       10.75648 
1 1 1 13 28 33 o 27.073  5.4262 8.8891   2.1802  25.641  8.3027 28.504  6.9884 -2.863375      10.85235 
1 1 1 13 28 35 o 32.713  5.0806 13.125   2.2951  28.350  8.5370 37.076  5.5109 -8.726297      10.16121 
1 1 1 13 28 37 o 23.904  5.9187 7.7642   2.4519  23.284  9.0971 24.523  7.5741 -1.238636      11.83741 
1 1 1 13 28 39 o 14.455  4.6624 -0.7407  2.1454  14.032  6.7216 14.877  6.4630 -0.8450680     9.324713 
1 1 1 13 29 0  o 13.616  8.4466 1.5324   4.4695  13.616  8.4466 ?       ?      0.000000       0.000000 
1 1 1 13 29 2  o 128.206 2.0456 164.502  3.6758  126.324 2.6789 130.089 3.0922 -3.765182      4.091212 
1 1 1 13 29 4  o 116.405 2.1153 136.040  3.4796  118.219 2.9166 114.591 3.0646 3.627586       4.230614 
1 1 1 13 29 6  o 27.896  5.5765 8.1558   2.3837  31.617  7.2234 24.175  8.4977 7.441839       11.15294 
1 1 1 13 29 8  o 88.193  2.2883 78.391   2.8381  91.139  3.0125 85.248  3.4454 5.890984       4.576686 
1 1 1 13 29 10 o 188.236 2.1598 355.221  5.7210  191.150 3.2067 185.323 2.8941 5.826599       4.319597 
1 1 1 13 29 12 o 219.327 2.2744 482.897  7.0484  224.839 3.2374 213.814 3.1953 11.02469       4.548706 
1 1 1 13 29 14 o 138.722 2.0764 193.094  4.0120  139.080 3.2136 138.364 2.6304 0.7157898      4.152860 
1 1 1 13 29 16 o 56.846  3.0123 33.190   2.2321  54.599  5.1455 59.093  3.1335 -4.494312      6.024543 
1 1 1 13 29 18 o 37.386  5.0123 14.836   2.4966  36.074  8.3079 38.698  5.6099 -2.623817      10.02456 
1 1 1 13 29 20 o 82.557  2.5493 69.312   2.8038  81.047  4.2542 84.067  2.8102 -3.019585      5.098589 
1 1 1 13 29 22 o 50.878  3.2956 26.177   2.3003  52.642  5.2155 49.113  4.0302 3.529373       6.591213 
1 1 1 13 29 24 o 62.587  2.6192 40.030   2.1907  61.584  4.3546 63.591  2.9119 -2.006420      5.238425 
1 1 1 13 29 26 o 58.941  2.7744 35.524   2.2543  59.751  4.3813 58.130  3.4051 1.620934       5.548883 
1 1 1 13 29 28 o 40.019  4.5055 17.952   2.0288  37.283  8.2676 42.755  3.5842 -5.471485      9.011047 
1 1 1 13 29 30 o 24.125  6.0343 6.1646   2.2424  25.717  10.078 22.534  6.6398 3.183561       12.06862 
1 1 1 13 29 32 o 25.011  5.9895 7.5088   2.4519  25.578  9.2765 24.445  7.5790 1.133648       11.97892 
1 1 1 13 29 34 o 44.461  4.0073 21.273   2.3762  48.241  6.4855 40.681  4.7087 7.560184       8.014584 
1 1 1 13 29 36 o 35.781  4.8236 15.438   2.2779  39.083  7.4558 32.479  6.1219 6.604073       9.647126 
1 1 1 13 29 38 o 20.566  5.4636 5.5940   2.2543  18.610  7.9459 22.523  7.5010 -3.913519      10.92715 
1 1 1 13 30 1  o 94.451  2.4652 89.774   3.2880  97.927  3.3905 90.974  3.5794 6.952560       4.930310 
1 1 1 13 30 3  o 49.990  3.5294 25.255   2.4754  50.328  5.3285 49.651  4.6295 0.6763802      7.058718 
1 1 1 13 30 5  o 64.239  3.2710 41.593   2.9522  65.234  4.8939 63.244  4.3412 1.990013       6.541910 
1 1 1 13 30 7  o 70.535  2.5808 50.059   2.5141  70.481  4.0767 70.588  3.1659 -0.1072083     5.161596 
1 1 1 13 30 9  o 129.596 2.2832 168.725  4.1761  129.299 3.1111 129.893 3.3426 -0.5931549     4.566388 
1 1 1 13 30 11 o 118.099 2.1544 139.541  3.5027  119.834 3.4101 116.365 2.6338 3.468826       4.308785 
1 1 1 13 30 13 o 143.281 2.1371 205.325  4.2245  146.220 3.3624 140.341 2.6388 5.878464       4.274223 
1 1 1 13 30 15 o 117.435 2.2330 139.027  3.6989  116.317 3.2936 118.552 3.0161 -2.234497      4.465930 
1 1 1 13 30 17 o 83.959  2.3680 70.231   2.6450  86.423  3.9157 81.494  2.6639 4.928795       4.735924 
1 1 1 13 30 19 o 65.391  2.9266 42.807   2.5586  67.800  4.8029 62.983  3.3455 4.816742       5.853220 
1 1 1 13 30 21 o 82.089  2.2613 68.307   2.4247  81.568  3.8357 82.610  2.3960 -1.041748      4.522542 
1 1 1 13 30 23 o 94.823  2.4930 91.472   2.9052  94.315  4.4005 95.331  2.3442 -1.015778      4.985919 
1 1 1 13 30 25 o 33.261  5.3884 12.597   2.4053  31.711  9.1547 34.812  5.6859 -3.101265      10.77676 
1 1 1 13 30 27 o 39.211  4.7584 15.596   2.0820  43.398  8.5434 35.024  4.1931 8.374905       9.516897 
1 1 1 13 30 29 o 17.310  5.1767 1.4321   2.1180  17.761  7.8510 16.860  6.7496 0.9009132      10.35349 
1 1 1 13 30 31 o 37.668  5.0180 16.160   2.2695  37.732  8.9276 37.603  4.5847 0.1295815      10.03602 
1 1 1 13 30 33 o 45.133  4.1968 22.705   2.6437  50.020  5.9995 40.247  5.8700 9.773609       8.393504 
1 1 1 13 30 35 o 34.107  5.4744 15.078   2.4917  32.980  9.2870 35.233  5.7991 -2.253300      10.94887 
1 1 1 13 31 0  f 212.163 3.2218 451.550  13.664  212.163 3.2218 ?       ?      0.000000       0.000000 
1 1 1 13 31 2  o 155.488 2.0046 242.716  4.4020  155.245 2.9201 155.731 2.7470 -0.4863586     4.009168 
1 1 1 13 31 4  o 181.878 2.2214 332.049  5.7059  178.507 3.0761 185.248 3.2055 -6.740845      4.442723 
1 1 1 13 31 6  f 150.473 2.0844 226.806  4.4190  154.967 3.0490 145.978 2.8431 8.989151       4.168869 
1 1 1 13 31 8  o 71.414  2.9088 50.675   2.8483  75.486  4.5676 67.343  3.6029 8.142975       5.817598 
1 1 1 13 31 10 o 38.429  4.9347 14.706   2.3936  42.384  8.2796 34.473  5.3713 7.910995       9.869305 
1 1 1 13 31 12 o 32.458  6.1854 11.195   2.7025  33.489  10.273 31.427  6.8928 2.062435       12.37082 
1 1 1 13 31 14 o 26.450  6.0169 7.1497   2.4978  25.609  9.6702 27.291  7.1625 -1.681938      12.03385 
1 1 1 13 31 16 o 45.230  4.3176 21.827   2.3439  42.998  7.7037 47.462  3.9013 -4.463955      8.635252 
1 1 1 13 31 18 o 93.547  2.4932 88.586   2.9767  93.564  4.2993 93.529  2.5259 0.3565979E-01  4.986373 
1 1 1 13 31 20 o 66.287  2.6959 44.858   2.3384  65.690  4.5684 66.883  2.8640 -1.192924      5.391885 
1 1 1 13 31 22 o 42.365  4.9462 20.798   2.5109  36.806  8.9265 47.924  4.2634 -11.11825      9.892399 
1 1 1 13 31 24 o 45.613  4.0581 22.385   2.4053  44.145  6.9426 47.081  4.2042 -2.935738      8.116291 
1 1 1 13 31 26 o 28.411  5.6254 8.9287   2.1537  32.679  9.0662 24.144  6.6623 8.534149       11.25087 
1 1 1 13 31 28 o 25.192  6.3863 6.4608   2.4249  32.536  10.778 17.848  6.8543 14.68810       12.77269 
1 1 1 13 31 30 o 24.556  5.9143 7.0818   2.7372  20.676  9.1316 28.435  7.5186 -7.759365      11.82864 
1 1 1 13 31 32 o 24.049  5.7151 7.2823   2.1844  23.882  9.2940 24.217  6.6536 -0.3351593     11.43017 
1 1 1 13 31 34 o 24.917  5.7587 8.7078   2.3556  27.407  8.3409 22.427  7.9422 4.979906       11.51733 
1 1 1 13 32 1  o 62.002  3.2916 39.329   2.7979  63.768  3.9050 60.236  5.3000 3.532043       6.583270 
1 1 1 13 32 3  o 122.188 2.5406 150.352  4.3213  120.826 3.2235 123.551 3.9276 -2.724869      5.081110 
1 1 1 13 32 5  o 111.336 2.5541 124.666  3.9972  114.691 3.7857 107.980 3.4296 6.711075       5.108209 
1 1 1 13 32 7  o 48.442  4.1309 24.362   2.7595  45.446  6.6033 51.437  4.9653 -5.990891      8.261848 
1 1 1 13 32 9  o 29.210  5.5698 9.2567   2.4836  34.459  7.0988 23.961  8.5849 10.49795       11.13968 
1 1 1 13 32 11 o 21.261  5.8162 2.6133   2.6680  18.203  8.0410 24.318  8.4057 -6.115051      11.63242 
1 1 1 13 32 13 o 19.603  5.5554 2.2969   2.2566  21.978  8.6054 17.229  7.0282 4.748861       11.11076 
1 1 1 13 32 15 o 46.706  4.1595 22.538   2.7084  48.264  6.3502 45.148  5.3742 3.116047       8.319036 
1 1 1 13 32 17 o 60.963  3.4293 38.058   2.8691  62.048  5.4540 59.878  4.1587 2.170036       6.858623 
1 1 1 13 32 19 o 79.871  3.1482 66.216   3.4549  78.565  5.0388 81.177  3.7755 -2.612038      6.296350 
1 1 1 13 32 21 o 21.725  5.8357 4.2371   2.4099  25.247  9.0885 18.202  7.3227 7.044443       11.67144 
1 1 1 13 32 23 o 27.773  5.8915 9.2599   2.5789  24.759  9.0711 30.787  7.5204 -6.028225      11.78309 
1 1 1 13 32 25 o 42.288  5.2050 20.253   2.9116  44.760  8.4400 39.816  6.0938 4.943542       10.40995 
1 1 1 13 32 27 o 18.384  5.7002 0.0274   2.9410  17.523  8.2951 19.245  7.8204 -1.722200      11.40037 
1 1 1 13 32 29 o 33.876  6.0210 14.634   2.7196  33.944  10.034 33.808  6.6585 0.1355133      12.04190 
1 1 1 13 32 31 o 41.123  5.0297 20.701   2.5150  39.563  8.9268 42.683  4.6373 -3.120308      10.05948 
1 1 1 13 32 33 o 17.054  5.5054 1.0330   2.7016  19.592  8.7878 14.517  6.6342 5.074800       11.01081 
1 1 1 13 33 0  o 83.323  3.9268 70.363   6.5127  83.323  3.9268 ?       ?      0.000000       0.000000 
1 1 1 13 33 2  o 86.895  2.7326 76.511   3.3494  91.638  3.7626 82.152  3.9638 9.485649       5.465249 
1 1 1 13 33 4  o 128.072 2.1149 165.251  3.8268  125.939 2.9406 130.206 3.0404 -4.266365      4.229751 
1 1 1 13 33 6  o 169.730 2.1946 290.777  5.2675  169.608 3.1246 169.853 3.0825 -0.2449188     4.389205 
1 1 1 13 33 8  o 124.879 2.0648 157.229  3.6216  125.364 3.1068 124.394 2.7205 0.9707947      4.129573 
1 1 1 13 33 10 o 64.007  2.7899 41.658   2.5120  64.385  4.1651 63.630  3.7128 0.7552376      5.579753 
1 1 1 13 33 12 o 62.424  3.1602 39.627   2.7155  64.037  4.9854 60.812  3.8849 3.225025       6.320358 
1 1 1 13 33 14 o 48.193  4.2696 24.868   2.7731  44.168  7.0836 52.217  4.7689 -8.048939      8.539255 
1 1 1 13 33 16 o 63.435  3.0033 41.548   2.6574  63.388  4.6336 63.481  3.8221 -0.9297180E-01 6.006528 
1 1 1 13 33 18 o 44.753  5.0994 23.620   2.6832  38.145  9.2816 51.361  4.2268 -13.21538      10.19870 
1 1 1 13 33 20 o 32.028  6.0900 11.569   2.4966  35.428  10.238 28.629  6.5987 6.798912       12.18008 
1 1 1 13 33 22 o 57.194  3.4005 34.653   2.5844  56.106  5.6901 58.281  3.7249 -2.174633      6.800919 
1 1 1 13 33 24 o 31.342  5.5310 10.769   2.2135  38.121  8.8687 24.562  6.6117 13.55863       11.06201 
1 1 1 13 33 26 o 21.848  5.6138 5.3130   2.2230  21.030  8.8192 22.665  6.9486 -1.635664      11.22768 
1 1 1 13 33 28 o 19.971  5.6733 3.9172   2.2412  21.070  9.0616 18.872  6.8290 2.197840       11.34670 
1 1 1 13 33 30 o 18.025  5.6077 1.5610   2.5480  22.506  9.2880 13.543  6.2866 8.963449       11.21550 
1 1 1 13 33 32 o 20.724  6.0585 5.1978   2.9613  19.679  9.3462 21.769  7.7116 -2.089676      12.11694 
1 1 1 13 34 1  f 52.581  3.3952 28.306   2.5023  53.609  5.1215 51.554  4.4587 2.054718       6.790406 
1 1 1 13 34 3  o 72.757  2.8333 53.968   2.8880  72.519  4.3143 72.996  3.6738 -0.4770126     5.666557 
1 1 1 13 34 5  o 114.201 2.1561 131.857  3.4725  114.700 3.1730 113.701 2.9201 0.9983749      4.312234 
1 1 1 13 34 7  o 127.173 2.1631 163.498  3.8036  127.465 3.4063 126.880 2.6671 0.5854645      4.326251 
1 1 1 13 34 9  o 80.619  2.7688 66.726   3.0227  78.829  4.5359 82.410  3.1766 -3.580940      5.537658 
1 1 1 13 34 11 o 23.232  6.1575 4.8081   2.5971  27.600  9.7734 18.865  7.4928 8.735733       12.31509 
1 1 1 13 34 13 o 19.438  5.6755 1.7112   2.6051  18.321  8.2935 20.555  7.7501 -2.233793      11.35102 
1 1 1 13 34 15 o 36.093  5.5396 15.084   2.7084  35.376  8.7100 36.810  6.8473 -1.433323      11.07928 
1 1 1 13 34 17 o 20.945  5.4808 4.2681   2.0684  20.963  8.6522 20.928  6.7302 0.3506470E-01  10.96157 
1 1 1 13 34 19 o 28.438  6.2474 7.7168   2.8355  39.965  10.192 16.911  7.2288 23.05366       12.49488 
1 1 1 13 34 21 o 53.193  3.6784 29.350   2.5317  56.852  6.1770 49.534  3.9960 7.318207       7.356852 
1 1 1 13 34 23 o 18.065  5.5098 1.4532   2.4053  20.962  8.7562 15.168  6.6904 5.794312       11.01963 
1 1 1 13 34 25 o 16.214  5.2607 -2.1915  2.8177  15.633  7.5644 16.796  7.3130 -1.162966      10.52139 
1 1 1 13 34 27 o 25.354  6.2465 9.0641   2.8041  23.426  9.8766 27.282  7.6504 -3.856155      12.49306 
1 1 1 13 34 29 o 22.694  6.3737 6.1713   2.5728  29.888  10.874 15.501  6.6527 14.38679       12.74749 
1 1 1 13 35 0  o 58.384  5.2189 35.629   6.0019  58.384  5.2189 ?       ?      0.000000       0.000000 
1 1 1 13 35 2  o 69.595  2.6299 49.557   2.5824  69.352  3.8668 69.837  3.5657 -0.4853210     5.259887 
1 1 1 13 35 4  o 25.701  5.9360 7.4263   2.4836  26.176  8.1565 25.226  8.6264 0.9494877      11.87198 
1 1 1 13 35 6  o 47.361  3.9991 24.140   2.6116  42.978  6.3883 51.743  4.8125 -8.764999      7.998143 
1 1 1 13 35 8  o 81.864  2.6037 68.709   2.9670  82.333  4.0327 81.395  3.2947 0.9384842      5.207431 
1 1 1 13 35 10 o 72.338  2.7048 54.202   2.6502  70.609  4.4310 74.067  3.1034 -3.457481      5.409685 
1 1 1 13 35 12 o 26.252  6.1005 7.5314   2.6921  32.203  9.2342 20.301  7.9746 11.90236       12.20101 
1 1 1 13 35 14 o 19.161  5.9779 0.4795   3.0231  21.437  9.3072 16.886  7.5043 4.551149       11.95573 
1 1 1 13 35 16 o 19.243  5.6549 2.0883   2.4789  19.208  8.6581 19.278  7.2767 -0.7031822E-01 11.30985 
1 1 1 13 35 18 o 29.365  6.0040 10.800   2.6270  28.169  9.3338 30.561  7.5546 -2.392706      12.00799 
1 1 1 13 35 20 o 55.076  4.7144 34.814   3.0757  51.723  8.5178 58.429  4.0433 -6.705936      9.428748 
1 1 1 13 35 22 o 52.981  4.6361 32.252   3.1913  51.558  7.9259 54.404  4.8119 -2.846386      9.272268 
1 1 1 13 35 24 o 20.285  6.1120 3.8191   2.7655  22.667  9.7685 17.903  7.3485 4.764135       12.22391 
1 1 1 13 35 26 o 17.845  5.6141 1.8710   2.4946  21.303  9.1957 14.387  6.4430 6.916981       11.22828 
1 1 1 13 35 28 o 18.540  5.7927 3.2136   2.6462  20.082  9.2339 16.998  6.9967 3.084475       11.58533 
1 1 1 13 36 1  f 40.249  5.7527 18.919   3.1577  39.264  8.5322 41.234  7.7185 -1.969482      11.50534 
1 1 1 13 36 3  o 84.132  2.6137 73.059   3.0938  81.324  3.9257 86.940  3.4518 -5.615387      5.227407 
1 1 1 13 36 5  o 83.499  2.6040 71.900   3.0529  82.692  3.9379 84.306  3.4081 -1.613747      5.207962 
1 1 1 13 36 7  o 18.287  5.6481 0.2063   2.7505  18.178  8.3913 18.397  7.5624 -0.2183495     11.29619 
1 1 1 13 36 9  o 20.260  5.8045 3.0344   2.5297  20.397  8.8334 20.123  7.5326 0.2739410      11.60905 
1 1 1 13 36 11 o 18.076  5.4806 0.7816   2.5109  17.828  8.1381 18.323  7.3428 -0.4950943     10.96113 
1 1 1 13 36 13 o 45.274  4.3302 22.515   2.7478  48.430  6.3284 42.119  5.9122 6.311180       8.660413 
1 1 1 13 36 15 o 73.358  3.3697 57.080   3.0964  72.629  5.8902 74.088  3.2749 -1.459206      6.739412 
1 1 1 13 36 17 o 37.673  5.7611 18.109   2.7188  32.329  10.429 43.018  4.8981 -10.68895      11.52230 
1 1 1 13 36 19 o 31.071  6.0215 12.362   2.6921  34.983  8.9155 27.159  8.0961 7.823780       12.04295 
1 1 1 13 36 21 o 58.824  3.9575 39.592   3.0453  53.738  6.7727 63.911  4.0961 -10.17309      7.915005 
1 1 1 13 36 23 o 15.463  5.0544 -0.4797  2.2675  17.178  8.0704 13.747  6.0872 3.431014       10.10872 
1 1 1 13 36 25 o 18.568  5.9441 2.7623   2.8169  21.272  9.6804 15.863  6.9005 5.409714       11.88812 
1 1 1 13 37 0  o 46.693  7.6319 24.519   6.6404  46.693  7.6319 ?       ?      0.000000       0.000000 
1 1 1 13 37 2  o 55.168  4.1806 33.097   3.2551  56.303  5.6703 54.033  6.1448 2.269943       8.361276 
1 1 1 13 37 4  o 71.179  2.9227 52.957   2.9316  70.637  4.3388 71.721  3.9172 -1.083519      5.845490 
1 1 1 13 37 6  o 49.433  4.3377 27.036   3.0299  50.428  6.2043 48.438  6.0637 1.989731       8.675322 
1 1 1 13 37 8  o 35.868  5.5013 15.549   2.7103  34.321  8.2710 37.414  7.2560 -3.092983      11.00263 
1 1 1 13 37 10 f 16.666  5.2665 -0.4872  2.5193  16.870  7.7473 16.461  7.1361 0.4089451      10.53303 
1 1 1 13 37 12 o 21.730  6.3988 3.8323   3.0572  25.895  10.275 17.566  7.6293 8.329348       12.79764 
1 1 1 13 37 14 o 35.638  5.9166 15.892   2.8247  35.915  9.5931 35.361  6.9280 0.5539589      11.83320 
1 1 1 13 37 16 o 17.374  5.4828 -0.2198  2.6728  21.071  8.8760 13.678  6.4389 7.393210       10.96551 
1 1 1 13 37 18 o 21.547  6.2669 4.9691   2.9359  21.968  9.7438 21.126  7.8838 0.8420353      12.53379 
1 1 1 13 37 20 o 27.704  6.6751 11.732   3.1533  26.492  10.083 28.915  8.7499 -2.423025      13.35021 
1 1 1 13 37 22 o 38.953  5.8577 21.309   2.8568  33.890  10.558 44.016  5.0772 -10.12574      11.71534 
1 1 1 13 38 1  o 40.244  5.0733 19.024   2.7683  36.878  8.1803 43.610  6.0029 -6.731861      10.14656 
1 1 1 13 38 3  o 53.257  3.8980 31.180   2.8222  51.129  6.3689 55.385  4.4961 -4.256084      7.795998 
1 1 1 13 38 5  o 49.228  4.0892 26.793   2.8410  47.081  5.9672 51.375  5.5927 -4.294117      8.178410 
1 1 1 13 38 7  o 51.344  3.8789 28.988   2.8094  49.230  5.7067 53.458  5.2553 -4.228153      7.757898 
1 1 1 13 38 9  o 16.986  5.3871 -0.0958  2.6680  17.792  7.9317 16.179  7.2919 1.613291       10.77415 
1 1 1 13 38 11 o 26.483  6.0350 8.7332   2.6682  32.700  9.0643 20.266  7.9702 12.43365       12.07000 
1 1 1 13 38 13 o 43.133  4.9617 22.238   2.8768  41.102  8.0546 45.165  5.7962 -4.063538      9.923324 
1 1 1 13 38 15 o 58.308  4.2267 37.839   3.0911  61.245  7.2978 55.371  4.2666 5.874249       8.453471 
1 1 1 13 38 17 o 22.970  6.2273 7.0374   2.9246  26.744  9.4048 19.196  8.1649 7.548605       12.45452 
1 1 1 13 38 19 o 19.141  5.8599 3.3936   2.8802  18.982  8.9007 19.299  7.6243 -0.3166847     11.71973 
1 1 1 13 39 0  o 48.952  5.8807 26.434   5.6188  48.952  5.8807 ?       ?      0.000000       0.000000 
1 1 1 13 39 2  o 49.992  4.3236 28.511   3.0326  46.727  6.5589 53.256  5.6350 -6.528404      8.647135 
1 1 1 13 39 4  o 27.969  5.8612 10.226   2.8627  21.222  8.9530 34.716  7.5669 -13.49425      11.72241 
1 1 1 13 39 6  f 19.849  5.9227 3.3360   2.7807  21.152  8.9397 18.546  7.7715 2.605837       11.84539 
1 1 1 13 39 8  o 19.139  5.8161 2.3242   2.8847  18.439  8.5224 19.839  7.9168 -1.400116      11.63217 
1 1 1 13 39 10 o 20.336  6.2202 3.9412   3.1762  22.796  9.6240 17.876  7.8829 4.920191       12.44036 
1 1 1 13 39 12 o 28.390  6.2183 11.451   2.6516  28.216  10.041 28.563  7.3386 -0.3472366     12.43666 
1 1 1 13 39 14 o 29.368  6.3024 12.713   2.8378  32.962  9.2886 25.774  8.5206 7.188223       12.60472 
1 1 1 13 39 16 o 27.654  6.5309 11.352   2.7347  32.343  10.522 22.965  7.7392 9.378561       13.06179 
1 1 1 13 40 1  o 18.033  5.6344 1.7405   2.8324  19.753  8.4731 16.312  7.4290 3.441307       11.26872 
1 1 1 13 40 3  o 40.928  5.9368 22.683   3.3190  39.642  8.7700 42.213  8.0044 -2.570530      11.87360 
1 1 1 13 40 5  o 37.549  6.9416 21.231   3.6739  38.279  10.635 36.819  8.9246 1.459892       13.88326 
1 1 1 13 40 7  o 33.122  6.6373 16.610   3.2363  33.102  9.8715 33.141  8.8752 -0.3866959E-01 13.27467 
1 1 1 13 40 9  o 29.215  6.8059 13.788   3.2186  29.492  10.325 28.938  8.8701 0.5541286      13.61176 
1 1 1 13 40 11 o 22.694  6.1637 7.7186   2.7731  22.547  9.0651 22.841  8.3540 -0.2945557     12.32742 
1 1 1 13 41 0  f 13.051  8.6947 1.1493   5.8742  13.051  8.6947 ?       ?      0.000000       0.000000 
1 1 1 13 41 2  o 20.199  5.8855 3.7099   3.0964  15.160  7.2615 25.239  9.2643 -10.07844      11.77103 
1 1 1 14 1  1  o 600.870 3.8545 3610.92  32.745  596.241 5.3973 605.500 5.5045 -9.258972      7.709101 
1 1 1 14 1  3  o 236.287 1.9299 558.308  6.4483  233.558 2.7338 239.016 2.7248 -5.458130      3.859845 
1 1 1 14 1  5  o 435.256 2.8479 1892.72  17.485  440.907 4.1707 429.604 3.8791 11.30240       5.695834 
1 1 1 14 1  7  o 901.288 5.4501 8127.92  69.462  894.022 7.6919 908.554 7.7234 -14.53174      10.90029 
1 1 1 14 1  9  o 862.138 5.1639 7437.44  62.954  852.550 7.3396 871.725 7.2660 -19.17505      10.32783 
1 1 1 14 1  11 o 776.130 4.6210 6025.06  50.615  779.876 6.7627 772.385 6.2992 7.491272       9.241951 
1 1 1 14 1  13 o 283.792 2.0292 805.047  8.1258  285.793 2.9714 281.792 2.7644 4.001251       4.058455 
1 1 1 14 1  15 o 76.264  1.3722 58.126   1.4436  76.056  1.6790 76.473  2.1709 -0.4170074     2.744406 
1 1 1 14 1  17 o 541.485 3.4511 2923.25  25.583  534.679 4.1438 548.291 5.5199 -13.61255      6.902211 
1 1 1 14 1  19 o 314.339 2.2945 988.791  9.9671  314.770 2.8196 313.907 3.6206 0.8621216      4.589003 
1 1 1 14 1  21 o 218.985 2.4531 479.306  7.5896  224.754 3.4943 213.216 3.4438 11.53780       4.906145 
1 1 1 14 1  23 o 371.328 2.5262 1380.21  13.029  371.703 3.1607 370.952 3.9417 0.7511902      5.052426 
1 1 1 14 1  25 o 241.850 2.0132 585.722  6.8305  243.063 2.6269 240.638 3.0514 2.424698       4.026370 
1 1 1 14 1  27 o 49.226  2.1253 24.341   1.4575  50.138  2.6743 48.314  3.3039 1.823788       4.250616 
1 1 1 14 1  29 o 135.102 1.6543 182.624  3.1603  137.015 2.3301 133.188 2.3491 3.826416       3.308661 
1 1 1 14 1  31 o 153.585 1.7641 234.980  3.5058  152.121 1.8468 155.049 3.0062 -2.927917      3.528183 
1 1 1 14 1  33 o 46.971  2.9337 22.926   1.6937  49.864  2.6890 44.077  5.2150 5.786758       5.867441 
1 1 1 14 1  35 o 84.399  1.8409 70.407   1.9670  82.391  1.8599 86.407  3.1775 -4.015221      3.681820 
1 1 1 14 1  37 o 191.984 2.0482 369.109  5.0461  191.524 2.1003 192.443 3.5170 -0.9197083     4.096370 
1 1 1 14 1  39 o 89.633  1.7636 80.742   2.1469  90.244  2.0519 89.022  2.8690 1.221230       3.527185 
1 1 1 14 1  41 o 49.697  2.3642 25.130   1.5975  51.415  2.7321 47.980  3.8592 3.434704       4.728441 
1 1 1 14 1  43 o 23.948  4.3147 5.9803   1.6770  30.382  5.0438 17.514  7.0020 12.86763       8.629490 
1 1 1 14 1  45 o 36.392  3.6690 13.645   1.8571  35.580  4.6658 37.203  5.6637 -1.622887      7.338031 
1 1 1 14 1  47 o 36.733  4.6208 15.410   2.1691  40.756  4.5433 32.710  8.0477 8.046505       9.241593 
1 1 1 14 1  49 o 13.388  4.5055 -3.6907  2.1367  11.614  5.5078 15.161  7.1317 -3.547087      9.010935 
1 1 1 14 1  51 o 19.534  5.2571 3.6208   2.0157  15.174  6.4625 23.895  8.2936 -8.720973      10.51419 
1 1 1 14 1  53 o 16.993  5.1285 2.4601   2.1240  15.846  6.7214 18.141  7.7479 -2.295325      10.25702 
1 1 1 14 2  0  o 847.151 7.2368 7180.37  122.593 847.151 7.2368 ?       ?      0.000000       0.000000 
1 1 1 14 2  2  o 1083.08 8.3132 11706.60 124.964 1065.93 10.453 1100.24 12.930 -34.31079      16.62647 
1 1 1 14 2  4  o 320.094 2.2864 1025.13  10.340  317.320 3.3201 322.867 3.1444 -5.546814      4.572769 
1 1 1 14 2  6  o 400.622 2.7221 1605.08  15.412  401.649 3.9266 399.596 3.7710 2.052887       5.444113 
1 1 1 14 2  8  o 446.139 3.2162 1992.31  20.266  452.632 4.4012 439.647 4.6910 12.98450       6.432414 
1 1 1 14 2  10 o 347.043 2.4073 1204.18  11.800  348.900 3.4954 345.187 3.3110 3.713135       4.814636 
1 1 1 14 2  12 o 715.713 4.5276 5118.43  44.600  711.975 5.5064 719.450 7.1887 -7.475220      9.055235 
1 1 1 14 2  14 o 110.737 1.3888 122.381  2.1540  109.325 1.8105 112.149 2.1065 -2.823845      2.777681 
1 1 1 14 2  16 o 273.229 2.2244 747.110  8.5821  275.451 3.0366 271.007 3.2513 4.443939       4.448849 
1 1 1 14 2  18 o 262.597 1.9985 688.552  7.3516  259.758 2.6056 265.436 3.0309 -5.677490      3.996927 
1 1 1 14 2  20 o 257.684 1.9386 664.779  6.9533  258.746 2.4430 256.623 3.0106 2.122589       3.877122 
1 1 1 14 2  22 o 155.157 1.4506 241.482  3.1345  157.424 1.8252 152.891 2.2552 4.533081       2.901210 
1 1 1 14 2  24 o 58.458  1.5544 34.339   1.2738  60.425  2.0077 56.491  2.3736 3.934147       3.108836 
1 1 1 14 2  26 o 66.789  1.6727 44.622   1.5324  66.746  2.0089 66.831  2.6751 -0.8542633E-01 3.345431 
1 1 1 14 2  28 o 136.208 1.5000 185.507  2.8378  135.863 1.8798 136.553 2.3379 -0.6894379     2.999958 
1 1 1 14 2  30 o 78.506  1.5547 61.575   1.7145  77.615  2.0566 79.397  2.3322 -1.781830      3.109462 
1 1 1 14 2  32 o 106.906 1.6960 114.803  2.3576  107.708 1.7784 106.104 2.8885 1.603966       3.392093 
1 1 1 14 2  34 o 96.659  1.6981 93.716   2.1655  97.111  1.8410 96.207  2.8538 0.9045105      3.396112 
1 1 1 14 2  36 o 106.878 1.8918 113.859  2.5834  105.829 1.9307 107.927 3.2538 -2.097816      3.783514 
1 1 1 14 2  38 o 55.924  2.3151 31.367   1.7923  55.611  2.8704 56.237  3.6332 -0.6251259     4.630290 
1 1 1 14 2  40 o 52.372  2.7576 27.232   1.9933  49.504  3.4824 55.240  4.2768 -5.735207      5.515256 
1 1 1 14 2  42 o 23.685  4.7547 5.8698   1.7966  27.999  5.6711 19.371  7.6333 8.628027       9.509357 
1 1 1 14 2  44 o 54.371  2.5006 29.822   1.8815  53.184  3.1215 55.558  3.9074 -2.374683      5.001166 
1 1 1 14 2  46 o 40.881  4.6973 19.286   2.0117  45.154  3.2524 36.608  8.8136 8.545780       9.394565 
1 1 1 14 2  48 o 31.448  4.8991 11.331   2.0318  33.493  4.9565 29.403  8.4520 4.090790       9.798117 
1 1 1 14 2  50 o 28.465  5.0907 10.058   2.1907  34.098  5.4304 22.831  8.6122 11.26668       10.18134 
1 1 1 14 2  52 o 18.927  4.6788 3.6557   1.8181  22.910  6.4287 14.945  6.7997 7.964925       9.357615 
1 1 1 14 3  1  o 288.057 2.2106 829.739  8.9957  287.293 3.0448 288.820 3.2056 -1.527649      4.421140 
1 1 1 14 3  3  o 568.869 3.5832 3236.08  28.816  574.163 5.1266 563.575 5.0077 10.58856       7.166498 
1 1 1 14 3  5  o 366.372 2.6593 1345.21  13.685  360.574 4.0197 372.170 3.4827 -11.59604      5.318590 
1 1 1 14 3  7  o 699.425 4.2022 4893.19  41.559  693.861 5.9078 704.990 5.9776 -11.12952      8.404381 
1 1 1 14 3  9  o 970.143 5.7178 9416.47  78.382  976.276 8.2537 964.011 7.9150 12.26495       11.43552 
1 1 1 14 3  11 o 348.976 2.4786 1214.86  11.962  345.261 3.0699 352.692 3.8923 -7.430786      4.957252 
1 1 1 14 3  13 o 330.838 2.3500 1095.69  10.784  332.081 2.9226 329.596 3.6807 2.485199       4.699922 
1 1 1 14 3  15 o 378.105 3.2440 1428.03  16.586  376.364 3.7493 379.847 5.2950 -3.482330      6.488003 
1 1 1 14 3  17 o 363.786 2.4832 1324.48  12.290  364.274 2.9097 363.298 4.0247 0.9760132      4.966351 
1 1 1 14 3  19 o 141.657 2.8037 202.073  5.4077  144.599 3.2676 138.716 4.5569 5.883423       5.607410 
1 1 1 14 3  21 o 191.201 1.5582 366.001  4.1274  191.957 1.9292 190.444 2.4475 1.513260       3.116433 
1 1 1 14 3  23 o 174.736 1.8181 305.253  4.2243  174.459 2.0130 175.014 3.0281 -0.5552368     3.636117 
1 1 1 14 3  25 o 251.759 2.0744 634.530  7.2628  252.235 2.6073 251.284 3.2270 0.9507446      4.148722 
1 1 1 14 3  27 o 97.902  1.4917 96.175   2.0113  99.016  1.8056 96.788  2.3749 2.228340       2.983338 
1 1 1 14 3  29 o 97.438  1.5618 94.718   2.1004  96.331  1.9222 98.544  2.4622 -2.212807      3.123624 
1 1 1 14 3  31 o 164.897 1.8169 272.525  4.1793  166.015 2.3076 163.779 2.8070 2.236847       3.633775 
1 1 1 14 3  33 o 47.612  2.3894 22.608   1.5554  46.825  2.8635 48.398  3.8259 -1.572720      4.778840 
1 1 1 14 3  35 o 64.554  2.2511 42.233   1.9702  66.801  2.5807 62.307  3.6892 4.494034       4.502250 
1 1 1 14 3  37 f 38.819  3.8134 15.605   1.7431  39.871  3.3630 37.767  6.8453 2.103577       7.626781 
1 1 1 14 3  39 o 84.109  1.8104 72.177   1.9921  87.459  1.8982 80.758  3.0835 6.700729       3.620887 
1 1 1 14 3  41 o 46.386  2.6931 21.403   1.6857  44.482  3.1580 48.291  4.3633 -3.809544      5.386165 
1 1 1 14 3  43 o 18.841  5.0284 2.8094   1.6733  17.285  6.0152 20.398  8.0597 -3.112555      10.05687 
1 1 1 14 3  45 o 20.324  4.8663 4.0609   1.7089  21.982  6.3341 18.665  7.3894 3.317774       9.732619 
1 1 1 14 3  47 o 20.241  5.6412 3.3962   2.2227  17.078  6.8582 23.405  8.9587 -6.327402      11.28241 
1 1 1 14 3  49 o 26.314  5.6535 8.4141   2.2702  26.318  7.4355 26.309  8.5183 0.9187698E-02  11.30705 
1 1 1 14 3  51 o 25.150  5.4728 7.8260   2.0585  22.882  6.9353 27.418  8.4681 -4.535639      10.94567 
1 1 1 14 3  53 o 17.000  4.6348 2.7908   1.7274  19.544  6.6000 14.456  6.5090 5.088097       9.269664 
1 1 1 14 4  0  o 248.822 2.5924 619.349  12.898  248.822 2.5924 ?       ?      0.000000       0.000000 
1 1 1 14 4  2  o 607.280 4.0739 3692.55  34.675  603.731 6.1975 610.830 5.2893 -7.098938      8.147733 
1 1 1 14 4  4  o 564.339 3.9147 3192.54  30.935  571.849 5.0469 556.829 5.9857 15.01941       7.829366 
1 1 1 14 4  6  o 98.348  1.3091 96.761   1.8192  99.159  1.8030 97.536  1.8984 1.623215       2.618157 
1 1 1 14 4  8  o 514.946 3.4728 2652.25  24.789  514.778 4.3164 515.115 5.4416 -0.3375244     6.945656 
1 1 1 14 4  10 o 143.827 1.5287 206.828  3.0701  143.650 1.9557 144.004 2.3500 -0.3534393     3.057348 
1 1 1 14 4  12 o 637.841 3.9992 4068.31  35.173  636.445 4.8858 639.236 6.3327 -2.790222      7.998394 
1 1 1 14 4  14 o 501.921 3.2851 2518.84  22.867  500.574 4.0945 503.269 5.1383 -2.694824      6.570159 
1 1 1 14 4  16 o 285.050 2.1590 809.831  8.3909  281.782 2.5605 288.319 3.4769 -6.536743      4.317991 
1 1 1 14 4  18 o 568.521 3.6836 3243.03  29.024  574.571 4.5562 562.471 5.7894 12.10034       7.367244 
1 1 1 14 4  20 o 231.363 1.8012 535.153  5.7333  230.903 2.1845 231.823 2.8645 -0.9197235     3.602406 
1 1 1 14 4  22 o 267.794 2.0399 717.847  7.5423  268.347 2.4984 267.242 3.2255 1.104797       4.079893 
1 1 1 14 4  24 o 230.912 2.1120 532.254  6.5721  229.350 2.4221 232.473 3.4607 -3.123032      4.224054 
1 1 1 14 4  26 o 191.447 1.7257 369.159  4.6113  199.141 2.1803 183.752 2.6756 15.38931       3.451444 
1 1 1 14 4  28 o 100.064 1.4586 100.413  2.0113  100.995 1.7702 99.133  2.3187 1.861465       2.917199 
1 1 1 14 4  30 o 131.564 1.6734 173.045  3.0569  130.968 2.0964 132.159 2.6089 -1.190720      3.346818 
1 1 1 14 4  32 o 86.689  1.4359 75.285   1.7507  87.429  1.8988 85.948  2.1544 1.480789       2.871742 
1 1 1 14 4  34 o 61.891  1.9199 38.116   1.5987  60.825  2.2044 62.957  3.1440 -2.132099      3.839809 
1 1 1 14 4  36 o 38.092  3.1185 14.371   1.5717  36.721  3.4776 39.464  5.1775 -2.742874      6.236970 
1 1 1 14 4  38 o 33.361  4.2210 11.246   1.8841  31.180  5.1195 35.541  6.7124 -4.361629      8.441916 
1 1 1 14 4  40 o 14.155  4.6036 -2.8864  2.0188  13.348  5.9324 14.961  7.0412 -1.612577      9.207198 
1 1 1 14 4  42 o 25.213  4.5257 6.6680   1.5975  22.206  6.1289 28.221  6.6606 -6.014709      9.051361 
1 1 1 14 4  44 o 37.303  3.6596 14.804   1.7057  39.330  3.5716 35.277  6.3886 4.052158       7.319232 
1 1 1 14 4  46 o 28.365  4.7523 9.1924   1.8590  31.828  4.8147 24.903  8.1948 6.924765       9.504556 
1 1 1 14 4  48 o 37.189  3.9752 15.682   1.9070  43.540  4.1061 30.838  6.8080 12.70253       7.950392 
1 1 1 14 4  50 o 20.850  4.9438 4.3738   1.8964  14.849  6.3970 26.851  7.5395 -12.00283      9.887659 
1 1 1 14 4  52 o 13.796  4.4302 -0.7827  1.8475  13.623  5.8871 13.968  6.6220 -0.3449373     8.860498 
1 1 1 14 5  1  o 418.115 2.7426 1747.54  16.209  426.772 3.8899 409.458 3.8673 17.31396       5.485208 
1 1 1 14 5  3  o 1009.16 8.5096 10172.54 121.137 969.816 11.838 1048.51 12.228 -78.68884      17.01924 
1 1 1 14 5  5  o 378.358 3.2888 1441.28  16.945  386.387 3.8338 370.329 5.3449 16.05838       6.577669 
1 1 1 14 5  7  f 373.718 3.2411 1400.01  16.186  375.819 3.6188 371.616 5.3779 4.203674       6.482106 
1 1 1 14 5  9  o 921.526 6.6387 8501.66  82.666  921.505 7.6426 921.546 10.857 -0.4101563E-01 13.27732 
1 1 1 14 5  11 o 261.655 2.0076 685.076  7.2740  262.221 2.4837 261.090 3.1547 1.130768       4.015107 
1 1 1 14 5  13 f 351.901 2.5058 1242.22  12.003  355.117 2.9308 348.685 4.0652 6.431854       5.011518 
1 1 1 14 5  15 o 223.959 1.8338 501.830  5.6266  224.207 2.1928 223.711 2.9398 0.4967804      3.667533 
1 1 1 14 5  17 o 195.125 1.6068 380.686  4.3465  194.867 1.9987 195.383 2.5163 -0.5157166     3.213550 
1 1 1 14 5  19 o 176.076 1.6249 309.400  3.9577  174.467 2.0129 177.684 2.5514 -3.217514      3.249783 
1 1 1 14 5  21 o 202.006 1.6719 407.791  4.7086  201.016 2.1282 202.995 2.5792 -1.979248      3.343890 
1 1 1 14 5  23 o 153.545 1.4437 236.088  3.1235  155.335 1.9319 151.755 2.1458 3.579956       2.887359 
1 1 1 14 5  25 o 140.630 1.4441 198.464  2.7979  142.339 1.7495 138.921 2.2981 3.418350       2.888223 
1 1 1 14 5  27 o 119.289 1.8581 141.387  2.9779  117.030 2.1278 121.548 3.0468 -4.517921      3.716253 
1 1 1 14 5  29 f 205.685 2.0398 423.019  5.4523  205.223 2.1468 206.148 3.4690 -0.9250488     4.079535 
1 1 1 14 5  31 o 56.848  1.9226 32.569   1.5297  59.659  2.4616 54.037  2.9540 5.621853       3.845232 
1 1 1 14 5  33 o 106.979 1.4888 113.747  2.1691  104.639 1.7696 109.320 2.3947 -4.680557      2.977571 
1 1 1 14 5  35 o 44.109  2.6924 19.391   1.5987  43.272  3.0987 44.946  4.4039 -1.673851      5.384783 
1 1 1 14 5  37 o 133.334 1.7468 178.867  3.1103  134.706 1.9434 131.961 2.9031 2.745193       3.493567 
1 1 1 14 5  39 o 68.264  2.1642 46.733   1.9454  68.092  2.3443 68.437  3.6386 -0.3442841     4.328434 
1 1 1 14 5  41 o 20.351  4.8727 3.8960   1.6578  21.176  6.0366 19.525  7.6506 1.650621       9.745388 
1 1 1 14 5  43 f 35.520  4.2670 13.228   2.0354  35.455  5.0424 35.584  6.8849 -0.1285477     8.533909 
1 1 1 14 5  45 o 45.622  3.1505 21.215   1.9256  44.310  3.6025 46.933  5.1697 -2.623077      6.301064 
1 1 1 14 5  47 o 19.371  5.4403 1.6903   1.9989  11.992  5.4712 26.750  9.4050 -14.75864      10.88058 
1 1 1 14 5  49 o 12.158  4.1341 -4.7968  2.0113  10.582  5.1633 13.734  6.4578 -3.151934      8.268195 
1 1 1 14 5  51 o 31.508  4.8900 12.980   1.9831  37.886  4.0448 25.130  8.9044 12.75615       9.780009 
1 1 1 14 5  53 o 16.393  5.0312 2.0226   2.0188  15.064  6.3076 17.722  7.8401 -2.657396      10.06247 
1 1 1 14 6  0  o 256.868 4.4026 660.469  22.603  256.868 4.4026 ?       ?      0.000000       0.000000 
1 1 1 14 6  2  o 392.218 3.0844 1537.01  17.088  400.078 4.4367 384.358 4.2860 15.71939       6.168800 
1 1 1 14 6  4  o 568.932 3.9893 3238.22  31.775  569.134 5.1607 568.729 6.0850 0.4050903      7.978683 
1 1 1 14 6  6  o 809.172 5.8453 6512.02  62.987  796.670 6.5400 821.675 9.6901 -25.00525      11.69060 
1 1 1 14 6  8  f 648.310 4.0187 4191.06  35.638  641.224 4.8095 655.396 6.4396 -14.17255      8.037437 
1 1 1 14 6  10 o 295.911 2.1580 880.185  8.8497  302.616 2.6585 289.207 3.4000 13.40881       4.315980 
1 1 1 14 6  12 o 561.634 3.5628 3150.44  27.589  557.937 4.3602 565.331 5.6359 -7.393982      7.125611 
1 1 1 14 6  14 o 397.152 2.7699 1571.07  15.110  391.042 3.3636 403.262 4.4017 -12.21921      5.539770 
1 1 1 14 6  16 o 533.523 3.4132 2855.47  25.336  539.804 4.2819 527.243 5.3164 12.56110       6.826333 
1 1 1 14 6  18 o 239.109 1.8885 573.518  6.3260  243.653 2.4371 234.566 2.8854 9.087875       3.776906 
1 1 1 14 6  20 o 253.770 1.9664 643.853  6.8515  253.231 2.3701 254.310 3.1384 -1.079361      3.932841 
1 1 1 14 6  22 o 256.942 1.9385 661.423  6.8097  258.141 2.3003 255.744 3.1208 2.397125       3.876989 
1 1 1 14 6  24 o 41.621  2.3383 17.139   1.3364  39.939  2.8776 43.302  3.6863 -3.362652      4.676527 
1 1 1 14 6  26 o 49.062  1.8177 24.302   1.2377  51.277  2.2414 46.847  2.8622 4.429878       3.635412 
1 1 1 14 6  28 o 71.402  1.6833 51.023   1.6770  71.451  2.1447 71.353  2.5951 0.9824371E-01  3.366612 
1 1 1 14 6  30 o 65.500  1.5303 43.227   1.4018  68.719  1.9512 62.281  2.3579 6.437725       3.060576 
1 1 1 14 6  32 o 216.751 1.9281 468.648  5.7570  213.543 2.3621 219.960 3.0480 -6.417114      3.856142 
1 1 1 14 6  34 o 44.630  2.4383 20.030   1.5297  43.409  3.6772 45.851  3.2029 -2.441765      4.876532 
1 1 1 14 6  36 o 151.983 1.8211 229.656  3.5069  149.786 1.8330 154.180 3.1474 -4.393478      3.642234 
1 1 1 14 6  38 o 119.628 1.8752 141.588  2.7655  116.968 1.8014 122.289 3.2894 -5.320900      3.750368 
1 1 1 14 6  40 f 27.211  4.6095 7.7874   1.7274  25.487  6.0874 28.934  6.9233 -3.447229      9.218947 
1 1 1 14 6  42 o 67.816  2.2919 45.279   2.0188  64.447  2.4768 71.186  3.8569 -6.738388      4.583728 
1 1 1 14 6  44 o 96.161  1.9875 94.100   2.4917  97.986  2.0852 94.336  3.3842 3.650162       3.975040 
1 1 1 14 6  46 o 21.386  4.9618 4.9571   1.7274  21.720  6.5298 21.052  7.4726 0.6677437      9.923636 
1 1 1 14 6  48 o 23.049  5.2406 6.1414   1.9332  24.450  6.2446 21.647  8.4178 2.802229       10.48117 
1 1 1 14 6  50 o 50.440  2.9047 27.170   2.0253  52.430  3.5317 48.449  4.6126 3.980694       5.809352 
1 1 1 14 6  52 o 22.573  4.3126 5.1591   2.0368  30.337  4.6304 14.809  7.2769 15.52774       8.625158 
1 1 1 14 7  1  o 189.821 2.7703 359.427  7.4077  184.912 3.7638 194.730 4.0659 -9.817581      5.540522 
1 1 1 14 7  3  o 512.903 4.0225 2636.14  27.644  515.218 4.5234 510.589 6.6528 4.628967       8.044932 
1 1 1 14 7  5  o 1082.68 9.1960 11712.18 140.229 1113.61 13.491 1051.74 12.500 61.86926       18.39199 
1 1 1 14 7  7  o 735.704 5.2894 5416.68  50.803  735.755 5.6148 735.653 8.9658 0.1015625      10.57887 
1 1 1 14 7  9  o 571.168 3.6925 3259.72  28.864  568.770 4.4118 573.565 5.9223 -4.795532      7.385009 
1 1 1 14 7  11 o 434.637 3.3528 1869.33  18.683  425.424 3.4670 443.850 5.7399 -18.42581      6.705673 
1 1 1 14 7  13 f 262.972 2.4180 679.382  8.1432  253.876 2.5150 272.069 4.1305 -18.19269      4.835914 
1 1 1 14 7  15 o 517.013 3.2752 2675.14  23.944  512.326 4.6736 521.700 4.5896 -9.373596      6.550315 
1 1 1 14 7  17 f 154.022 1.4674 236.285  3.1606  157.626 2.2279 150.418 1.9102 7.208237       2.934699 
1 1 1 14 7  19 o 182.827 1.5310 334.252  3.9577  180.575 2.1569 185.079 2.1734 -4.503845      3.062053 
1 1 1 14 7  21 o 253.145 2.1582 641.192  7.7254  253.272 3.0252 253.017 3.0787 0.2546082      4.316327 
1 1 1 14 7  23 o 275.451 2.0571 759.255  8.0131  275.045 2.9250 275.858 2.8933 -0.8127441     4.114222 
1 1 1 14 7  25 f 212.002 1.7795 448.628  5.2992  215.816 2.6627 208.188 2.3616 7.628357       3.559063 
1 1 1 14 7  27 f 122.174 1.4435 149.115  2.4754  123.398 2.1732 120.950 1.9005 2.448067       2.886984 
1 1 1 14 7  29 o 201.756 1.8352 407.449  5.2350  202.154 2.5584 201.358 2.6319 0.7957001      3.670474 
1 1 1 14 7  31 o 158.742 1.7082 252.465  3.8300  156.326 2.4915 161.158 2.3376 -4.832809      3.416409 
1 1 1 14 7  33 o 81.702  1.6581 66.677   1.9070  83.298  2.4529 80.106  2.2318 3.192154       3.316281 
1 1 1 14 7  35 o 36.489  3.2211 13.409   1.6601  37.538  4.4224 35.439  4.6845 2.099854       6.442213 
1 1 1 14 7  37 o 72.727  1.7990 52.824   1.8429  75.699  2.6148 69.756  2.4714 5.943054       3.597934 
1 1 1 14 7  39 o 47.193  2.5862 22.372   1.6192  47.049  2.8499 47.337  4.3163 -0.2880821     5.172317 
1 1 1 14 7  41 o 60.061  2.2456 36.633   1.8701  62.437  2.7611 57.684  3.5421 4.752083       4.491107 
1 1 1 14 7  43 o 60.583  2.4965 37.144   2.0374  60.366  2.8559 60.801  4.0956 -0.4351921     4.992977 
1 1 1 14 7  45 o 18.267  4.4563 -0.2026  1.7966  9.2679  4.5696 27.266  7.6519 -17.99774      8.912527 
1 1 1 14 7  47 o 26.087  6.0289 7.3630   2.1678  23.280  6.3909 28.894  10.225 -5.613560      12.05779 
1 1 1 14 7  49 o 17.050  5.0335 1.5474   1.9831  17.135  6.4965 16.965  7.6903 0.1700535      10.06707 
1 1 1 14 7  51 o 24.278  5.5909 7.7224   2.0840  24.240  6.4646 24.315  9.1236 -0.7564545E-01 11.18171 
1 1 1 14 8  0  o 815.503 10.057 6657.81  163.968 815.503 10.057 ?       ?      0.000000       0.000000 
1 1 1 14 8  2  o 572.488 4.4650 3275.19  33.916  570.869 4.9213 574.107 7.4515 -3.238037      8.929985 
1 1 1 14 8  4  o 137.329 1.8045 187.889  2.8169  136.636 1.4954 138.022 3.2845 -1.386581      3.608917 
1 1 1 14 8  6  o 703.330 5.1731 4922.65  46.869  695.427 5.3712 711.233 8.8428 -15.80640      10.34621 
1 1 1 14 8  8  o 288.418 2.5825 840.231  8.8816  292.710 2.2904 284.125 4.6294 8.584961       5.164982 
1 1 1 14 8  10 o 392.990 2.6413 1543.53  14.289  391.762 3.2108 394.218 4.1950 -2.456146      5.282676 
1 1 1 14 8  12 o 328.180 2.3857 1078.40  10.727  329.312 2.8502 327.047 3.8266 2.264496       4.771394 
1 1 1 14 8  14 o 294.530 2.0084 867.151  8.3522  297.378 2.9201 291.682 2.7582 5.695526       4.016774 
1 1 1 14 8  16 o 179.141 1.4997 320.891  3.7967  178.197 2.0782 180.085 2.1628 -1.887558      2.999455 
1 1 1 14 8  18 o 157.349 1.9346 247.422  4.1191  156.891 2.2383 157.806 3.1560 -0.9146118     3.869165 
1 1 1 14 8  20 o 169.219 1.5905 285.712  3.7666  171.723 2.4168 166.714 2.0682 5.009293       3.180947 
1 1 1 14 8  22 o 154.579 1.6947 239.100  3.7022  153.751 2.4502 155.406 2.3419 -1.654572      3.389387 
1 1 1 14 8  24 o 255.125 1.9466 651.320  7.0230  253.349 2.7471 256.900 2.7588 -3.550369      3.893264 
1 1 1 14 8  26 f 240.006 2.0324 576.676  6.8953  242.402 2.8185 237.610 2.9290 4.792389       4.064847 
1 1 1 14 8  28 o 54.186  2.1650 29.273   1.6503  56.125  3.1854 52.247  2.9330 3.878334       4.330066 
1 1 1 14 8  30 o 101.268 1.7630 102.705  2.5217  104.924 2.4342 97.613  2.5511 7.311073       3.526056 
1 1 1 14 8  32 o 73.791  1.7746 54.497   1.8495  74.393  2.5749 73.189  2.4427 1.204514       3.549213 
1 1 1 14 8  34 o 112.756 1.5615 127.243  2.4885  114.054 2.2393 111.457 2.1769 2.597466       3.123041 
1 1 1 14 8  36 o 86.904  1.8009 75.410   2.1654  85.535  2.2395 88.272  2.8210 -2.737160      3.601841 
1 1 1 14 8  38 f 141.930 1.6403 201.720  3.2731  140.717 2.1780 143.143 2.4533 -2.426239      3.280641 
1 1 1 14 8  40 o 60.033  2.7396 37.008   2.2303  63.302  3.1269 56.765  4.4993 6.537605       5.479150 
1 1 1 14 8  42 o 56.446  2.5964 32.947   1.9865  60.597  2.9504 52.296  4.2733 8.300800       5.192864 
1 1 1 14 8  44 o 70.291  3.1424 49.438   2.4360  68.521  2.5160 72.062  5.7593 -3.541687      6.284873 
1 1 1 14 8  46 o 34.798  5.1554 15.343   2.0364  41.846  3.5094 27.750  9.6951 14.09582       10.31072 
1 1 1 14 8  48 o 33.007  5.7467 12.297   2.1995  31.913  4.8019 34.101  10.442 -2.188301      11.49339 
1 1 1 14 8  50 o 31.794  4.8094 13.166   2.1246  40.526  4.4115 23.062  8.5474 17.46446       9.618701 
1 1 1 14 8  52 o 16.017  5.2863 0.6534   2.0907  12.554  5.5741 19.479  8.9838 -6.924838      10.57255 
1 1 1 14 9  1  o 1154.56 11.650 13180.66 179.063 1111.95 13.184 1197.17 19.211 -85.22766      23.29990 
1 1 1 14 9  3  o 640.836 4.9998 4102.39  44.738  634.597 6.4193 647.074 7.6671 -12.47644      9.999578 
1 1 1 14 9  5  f 407.342 3.0167 1661.76  17.293  411.722 4.0011 402.963 4.5159 8.759125       6.033417 
1 1 1 14 9  7  o 295.940 2.1632 871.954  8.8218  290.866 2.6562 301.014 3.4151 -10.14743      4.326445 
1 1 1 14 9  9  o 562.484 3.6615 3142.89  28.023  550.063 4.3413 574.905 5.8974 -24.84198      7.323035 
1 1 1 14 9  11 o 535.948 3.5410 2867.04  25.873  531.657 4.1914 540.239 5.7085 -8.581970      7.082033 
1 1 1 14 9  13 o 257.357 1.9843 664.107  7.1422  261.133 2.5429 253.581 3.0467 7.552261       3.968507 
1 1 1 14 9  15 f 318.193 2.2902 1014.93  10.175  321.825 2.9165 314.560 3.5319 7.264496       4.580427 
1 1 1 14 9  17 o 275.629 2.0680 761.316  7.9459  278.095 2.6174 273.164 3.2023 4.930817       4.135900 
1 1 1 14 9  19 o 205.454 1.6104 421.931  4.6182  204.667 2.0590 206.241 2.4767 -1.573578      3.220830 
1 1 1 14 9  21 o 319.908 2.7507 1024.96  11.897  320.346 3.1691 319.469 4.4969 0.8766479      5.501449 
1 1 1 14 9  23 o 363.042 2.6459 1318.10  13.120  361.662 3.1425 364.422 4.2576 -2.759918      5.291766 
1 1 1 14 9  25 o 160.176 1.4876 256.612  3.3154  159.984 1.8758 160.368 2.3093 -0.3837891     2.975116 
1 1 1 14 9  27 o 215.840 1.8361 467.073  5.5721  219.045 2.4194 212.636 2.7626 6.408325       3.672244 
1 1 1 14 9  29 o 222.732 2.0593 497.212  6.3857  223.793 2.5963 221.672 3.1973 2.121140       4.118656 
1 1 1 14 9  31 o 18.326  4.4611 3.0706   1.4018  18.388  6.1737 18.263  6.4412 0.1252346      8.922132 
1 1 1 14 9  33 o 92.223  1.6273 85.569   2.0993  95.172  2.0798 89.274  2.5033 5.898369       3.254504 
1 1 1 14 9  35 o 42.119  2.7880 18.103   1.6226  45.391  3.3760 38.846  4.4379 6.545036       5.576047 
1 1 1 14 9  37 f 47.958  2.5088 23.858   1.5975  52.187  2.6917 43.728  4.2345 8.459007       5.017538 
1 1 1 14 9  39 o 63.719  2.5465 40.311   1.9581  62.412  2.3530 65.025  4.5169 -2.613678      5.093023 
1 1 1 14 9  41 o 66.994  2.5495 46.856   2.2348  72.492  2.6424 61.495  4.3608 10.99688       5.098933 
1 1 1 14 9  43 o 19.241  4.8732 3.3272   1.7089  20.354  6.4463 18.127  7.3101 2.227535       9.746385 
1 1 1 14 9  45 o 25.326  4.6732 7.2768   1.8112  30.233  4.8575 20.418  7.9850 9.815037       9.346376 
1 1 1 14 9  47 o 38.870  4.3895 16.795   2.2776  38.710  5.1133 39.031  7.1361 -0.3207664     8.778983 
1 1 1 14 9  49 f 14.894  4.6411 0.3457   1.7108  12.434  5.4928 17.353  7.4825 -4.919155      9.282139 
1 1 1 14 9  51 o 30.501  6.3666 12.789   2.6084  28.663  6.7805 32.339  10.778 -3.675705      12.73322 
1 1 1 14 10 0  o 483.507 4.2662 2338.71  41.247  483.507 4.2662 ?       ?      0.000000       0.000000 
1 1 1 14 10 2  o 640.927 6.5846 4149.92  54.675  652.852 6.8168 629.003 11.268 23.84869       13.16927 
1 1 1 14 10 4  o 196.980 1.8908 387.801  5.2628  194.079 2.6319 199.880 2.7153 -5.800613      3.781502 
1 1 1 14 10 6  o 541.875 3.4531 2940.75  25.953  544.402 4.2927 539.349 5.4102 5.052795       6.906281 
1 1 1 14 10 8  o 323.512 2.3229 1050.94  10.436  329.470 2.8876 317.554 3.6394 11.91647       4.645761 
1 1 1 14 10 10 o 286.853 2.1684 820.505  8.4994  283.927 2.5862 289.779 3.4814 -5.851898      4.336862 
1 1 1 14 10 12 o 175.830 1.5508 309.952  3.7023  177.123 1.8024 174.536 2.5242 2.587006       3.101681 
1 1 1 14 10 14 o 233.769 1.8350 544.557  5.8281  231.102 2.1550 236.436 2.9706 -5.333923      3.669964 
1 1 1 14 10 16 o 220.456 1.8071 488.339  5.5459  225.559 2.2646 215.352 2.8167 10.20619       3.614162 
1 1 1 14 10 18 o 461.776 3.0499 2147.75  19.518  474.852 3.7515 448.699 4.8098 26.15323       6.099845 
1 1 1 14 10 20 o 179.950 1.9401 322.148  4.5313  177.826 2.0467 182.074 3.2964 -4.248108      3.880107 
1 1 1 14 10 22 o 237.446 1.9357 564.002  6.3421  237.170 2.3691 237.722 3.0620 -0.5516510     3.871472 
1 1 1 14 10 24 o 379.766 2.8022 1443.13  14.695  378.380 3.4424 381.152 4.4225 -2.771851      5.604382 
1 1 1 14 10 26 o 283.780 2.2819 806.748  8.9910  284.538 2.8499 283.023 3.5645 1.514496       4.563720 
1 1 1 14 10 28 o 177.788 1.7523 314.916  4.2710  175.010 2.1161 180.566 2.7935 -5.555405      3.504514 
1 1 1 14 10 30 o 164.698 1.6475 271.661  3.8214  165.346 2.2011 164.049 2.4521 1.297424       3.295076 
1 1 1 14 10 32 o 113.638 1.6641 128.887  2.5848  112.506 1.9863 114.771 2.6704 -2.264061      3.328146 
1 1 1 14 10 34 o 32.043  3.8868 10.493   1.7145  31.429  5.0790 32.656  5.8850 -1.227489      7.773593 
1 1 1 14 10 36 o 23.849  4.8510 5.9357   1.7216  23.688  6.7055 24.011  7.0116 -0.3226299     9.701908 
1 1 1 14 10 38 o 53.782  2.5548 29.637   1.8398  56.620  2.8192 50.944  4.2614 5.676353       5.109556 
1 1 1 14 10 40 o 71.690  2.1844 50.731   2.0987  68.015  2.5347 75.365  3.5583 -7.349892      4.368779 
1 1 1 14 10 42 o 53.464  3.2248 29.994   2.1550  56.314  3.0613 50.614  5.6768 5.700455       6.449670 
1 1 1 14 10 44 o 38.447  3.8692 15.589   2.0157  38.401  4.4894 38.494  6.3031 -0.9323502E-01 7.738461 
1 1 1 14 10 46 o 20.986  5.3394 4.5015   1.9155  19.777  6.6000 22.194  8.3950 -2.417639      10.67880 
1 1 1 14 10 48 o 38.374  3.9841 16.521   2.0113  40.909  4.3703 35.839  6.6629 5.070118       7.968277 
1 1 1 14 10 50 o 33.960  4.2825 13.583   2.0108  35.739  5.7171 32.181  6.3775 3.557827       8.564942 
1 1 1 14 11 1  o 236.262 2.0217 557.031  6.6695  233.415 2.5987 239.109 3.0976 -5.694595      4.043321 
1 1 1 14 11 3  o 551.580 3.6940 3042.39  28.728  548.123 4.9974 555.038 5.4413 -6.914978      7.387938 
1 1 1 14 11 5  o 629.919 4.6268 3993.17  38.763  638.536 5.0898 621.303 7.7282 17.23260       9.253686 
1 1 1 14 11 7  o 356.484 2.5341 1267.29  12.394  352.633 3.0600 360.335 4.0401 -7.702057      5.068169 
1 1 1 14 11 9  o 381.237 2.7635 1442.77  13.839  374.588 3.0000 387.887 4.6420 -13.29953      5.527068 
1 1 1 14 11 11 o 446.858 3.0649 1989.38  18.467  441.465 3.5290 452.250 5.0120 -10.78522      6.129810 
1 1 1 14 11 13 o 284.081 2.1642 806.354  8.4491  282.881 2.6183 285.280 3.4468 -2.399109      4.328474 
1 1 1 14 11 15 o 139.461 2.1653 196.242  4.1793  144.869 2.6445 134.053 3.4294 10.81583       4.330592 
1 1 1 14 11 17 o 379.490 2.6171 1442.51  13.596  380.691 3.1196 378.288 4.2028 2.403748       5.234105 
1 1 1 14 11 19 o 267.558 2.1438 716.460  8.0103  267.824 2.7417 267.291 3.2965 0.5325928      4.287636 
1 1 1 14 11 21 f 33.121  2.4658 10.968   1.1351  32.933  3.1021 33.310  3.8337 -0.3778687     4.931543 
1 1 1 14 11 23 o 251.486 2.0313 635.729  7.0692  256.193 2.4923 246.779 3.2083 9.413498       4.062607 
1 1 1 14 11 25 o 234.361 1.9955 549.113  6.4873  233.213 2.4915 235.508 3.1179 -2.294876      3.991036 
1 1 1 14 11 27 o 88.545  1.6083 78.305   1.9986  87.360  2.1196 89.730  2.4194 -2.369621      3.216533 
1 1 1 14 11 29 o 96.419  1.6249 93.344   2.1913  98.214  2.0804 94.623  2.4967 3.590424       3.249848 
1 1 1 14 11 31 o 124.345 1.8756 154.788  2.9767  124.311 1.9004 124.380 3.2341 -0.6808472E-01 3.751160 
1 1 1 14 11 33 o 14.762  4.2993 0.4692   1.4575  12.653  5.5465 16.871  6.5706 -4.218126      8.598661 
1 1 1 14 11 35 o 42.930  2.8392 18.446   1.7145  46.033  4.0225 39.827  4.0080 6.206161       5.678401 
1 1 1 14 11 37 o 101.020 1.5885 102.315  2.2626  101.346 2.1421 100.695 2.3462 0.6517715      3.176952 
1 1 1 14 11 39 o 38.330  4.8393 17.112   1.8772  43.906  3.0539 32.754  9.1841 11.15232       9.678525 
1 1 1 14 11 41 o 15.810  4.8788 -0.0196  1.7682  13.947  5.7221 17.674  7.9037 -3.726640      9.757664 
1 1 1 14 11 43 f 17.495  4.7848 1.9039   1.7414  20.872  7.3569 14.119  6.1200 6.752168       9.569665 
1 1 1 14 11 45 o 24.939  5.1594 7.0738   1.9218  22.087  6.9833 27.791  7.5968 -5.703672      10.31879 
1 1 1 14 11 47 o 15.424  4.9919 -0.7928  1.9989  12.009  5.4770 18.839  8.3474 -6.829624      9.983788 
1 1 1 14 11 49 o 20.908  5.2935 5.0761   1.9714  21.397  6.8617 20.419  8.0624 0.9775505      10.58702 
1 1 1 14 11 51 o 22.289  5.4019 6.7025   2.2543  25.943  7.3149 18.635  7.9509 7.308733       10.80388 
1 1 1 14 12 0  o 863.926 8.9153 7473.44  154.007 863.926 8.9153 ?       ?      0.000000       0.000000 
1 1 1 14 12 2  o 501.160 3.2914 2509.85  23.205  506.353 4.9052 495.968 4.3900 10.38538       6.582818 
1 1 1 14 12 4  o 334.977 2.2917 1122.33  10.849  335.613 3.3104 334.341 3.1702 1.272491       4.583495 
1 1 1 14 12 6  f 156.795 1.5726 244.439  3.3297  154.193 1.8220 159.397 2.5637 -5.203735      3.145191 
1 1 1 14 12 8  o 373.277 2.5923 1394.15  13.145  373.441 3.0263 373.114 4.2098 0.3266296      5.184662 
1 1 1 14 12 10 o 208.067 1.8848 432.733  5.4697  207.336 2.4021 208.799 2.9051 -1.462830      3.769542 
1 1 1 14 12 12 f 155.689 1.5707 242.586  3.2383  155.921 1.7199 155.457 2.6286 0.4634857      3.141325 
1 1 1 14 12 14 o 190.477 1.6547 362.416  4.3859  189.242 2.0919 191.712 2.5645 -2.469727      3.309496 
1 1 1 14 12 16 o 87.130  1.5017 75.588   1.8429  92.002  2.1514 82.258  2.0958 9.743378       3.003499 
1 1 1 14 12 18 o 138.165 1.6004 191.516  2.9571  139.214 1.7887 137.116 2.6543 2.097809       3.200760 
1 1 1 14 12 20 o 131.522 1.4745 171.375  2.6051  128.134 1.6943 134.911 2.4137 -6.777267      2.948990 
1 1 1 14 12 22 o 132.935 1.4867 176.967  2.7478  133.542 1.8647 132.329 2.3161 1.213196       2.973436 
1 1 1 14 12 24 o 42.724  2.1140 18.226   1.2738  40.410  3.0021 45.039  2.9771 -4.628716      4.228004 
1 1 1 14 12 26 o 123.160 1.4156 151.901  2.4479  123.968 1.8542 122.352 2.1396 1.615814       2.831264 
1 1 1 14 12 28 o 93.372  1.7219 87.333   2.2555  93.755  2.2474 92.988  2.6093 0.7670593      3.443706 
1 1 1 14 12 30 o 63.405  1.8912 40.329   1.6914  61.742  2.7922 65.068  2.5513 -3.326767      3.782304 
1 1 1 14 12 32 o 100.057 1.6079 100.511  2.2626  102.456 2.1189 97.658  2.4191 4.797615       3.215859 
1 1 1 14 12 34 o 75.438  1.9661 56.866   2.0157  74.628  2.3101 76.249  3.1821 -1.620285      3.932209 
1 1 1 14 12 36 o 76.144  2.7349 59.870   2.6919  80.478  2.7769 71.810  4.7125 8.667564       5.469835 
1 1 1 14 12 38 o 30.299  4.9388 9.8192   2.0511  30.206  6.3329 30.392  7.5803 -0.1850662     9.877598 
1 1 1 14 12 40 o 64.299  2.4924 42.002   2.0987  65.097  2.6483 63.501  4.2231 1.595760       4.984791 
1 1 1 14 12 42 o 46.376  3.1484 21.103   1.8437  42.883  3.2756 49.868  5.3776 -6.984577      6.296734 
1 1 1 14 12 44 o 20.491  5.1884 4.2461   1.8623  19.729  6.7361 21.252  7.8932 -1.522793      10.37675 
1 1 1 14 12 46 o 42.380  3.5543 19.576   2.0707  46.736  4.2352 38.025  5.7092 8.710846       7.108591 
1 1 1 14 12 48 o 19.430  5.1587 3.7094   2.0067  16.049  6.8230 22.811  7.7392 -6.761581      10.31739 
1 1 1 14 12 50 o 23.819  5.5026 7.6316   2.1004  23.171  7.2212 24.467  8.3048 -1.295822      11.00530 
1 1 1 14 13 1  o 241.024 2.0849 580.290  6.9340  242.300 3.2940 239.748 2.5567 2.552292       4.169776 
1 1 1 14 13 3  o 126.560 1.3739 160.228  2.4578  127.393 1.9046 125.727 1.9806 1.665276       2.747783 
1 1 1 14 13 5  o 386.917 2.6381 1497.74  14.420  386.920 3.8285 386.913 3.6306 0.6927490E-02  5.276219 
1 1 1 14 13 7  o 216.740 1.8885 469.040  5.7388  214.240 2.4737 219.239 2.8541 -4.999313      3.776906 
1 1 1 14 13 9  o 143.734 1.5505 204.572  3.0231  139.496 1.8309 147.971 2.5027 -8.475296      3.100939 
1 1 1 14 13 11 o 487.090 3.3031 2372.62  22.069  485.569 3.9712 488.610 5.2794 -3.040527      6.606222 
1 1 1 14 13 13 o 135.815 1.4148 183.604  2.5844  134.034 1.6197 137.597 2.3202 -3.562759      2.829607 
1 1 1 14 13 15 o 149.400 1.6578 223.743  3.3521  150.327 1.9113 148.473 2.7093 1.853424       3.315646 
1 1 1 14 13 17 o 216.410 1.9584 468.216  5.6237  216.006 2.1578 216.814 3.2689 -0.8074341     3.916876 
1 1 1 14 13 19 o 145.037 1.5775 210.349  3.1988  144.647 2.0306 145.428 2.4148 -0.7812347     3.155050 
1 1 1 14 13 21 o 395.743 2.8623 1573.18  15.751  401.212 3.5807 390.275 4.4664 10.93716       5.724536 
1 1 1 14 13 23 o 286.163 2.1800 820.828  8.7180  288.385 2.7897 283.941 3.3506 4.444092       4.359945 
1 1 1 14 13 25 o 231.518 1.9715 535.567  6.3177  229.755 2.4456 233.281 3.0929 -3.525604      3.942945 
1 1 1 14 13 27 o 98.282  1.5844 96.509   2.1987  94.908  2.2201 101.656 2.2612 -6.748589      3.168878 
1 1 1 14 13 29 o 157.841 1.6964 249.826  3.7401  159.212 2.1656 156.469 2.6117 2.743195       3.392732 
1 1 1 14 13 31 o 43.193  4.3303 20.213   2.1727  47.732  3.6117 38.654  7.8716 9.078014       8.660597 
1 1 1 14 13 33 o 86.050  1.6528 74.186   2.0108  85.756  2.3081 86.344  2.3664 -0.5881805     3.305628 
1 1 1 14 13 35 o 23.290  4.6412 5.6827   1.5963  22.473  6.6455 24.107  6.4807 -1.633526      9.282354 
1 1 1 14 13 37 o 107.537 1.8069 116.050  2.7441  111.951 2.5095 103.123 2.6005 8.828148       3.613886 
1 1 1 14 13 39 o 69.048  2.3387 48.698   2.0987  71.026  2.4272 67.070  3.9984 3.955811       4.677420 
1 1 1 14 13 41 o 20.265  5.2731 3.4963   1.9136  20.364  6.4460 20.166  8.3468 0.1981068      10.54611 
1 1 1 14 13 43 o 18.804  4.9655 2.3509   1.9832  21.531  6.7037 16.077  7.3269 5.453802       9.930923 
1 1 1 14 13 45 o 43.304  3.3042 19.234   1.8973  40.825  3.7536 45.784  5.4389 -4.959522      6.608473 
1 1 1 14 13 47 o 30.876  5.1181 11.493   2.1469  31.662  6.0645 30.090  8.2464 1.572378       10.23622 
1 1 1 14 13 49 o 21.650  5.2987 6.0370   1.9711  21.047  7.2510 22.253  7.7283 -1.206120      10.59730 
1 1 1 14 14 0  o 597.147 5.2403 3568.35  62.573  597.147 5.2403 ?       ?      0.000000       0.000000 
1 1 1 14 14 2  o 426.864 2.8242 1823.19  17.048  424.665 4.0145 429.063 3.9733 -4.397644      5.648301 
1 1 1 14 14 4  o 309.009 2.3910 955.882  10.437  304.524 3.4806 313.495 3.2791 -8.971558      4.781958 
1 1 1 14 14 6  o 488.206 3.2485 2384.66  22.365  489.830 4.7839 486.582 4.3959 3.247101       6.496949 
1 1 1 14 14 8  f 476.918 3.0815 2275.96  20.777  479.603 4.4067 474.233 4.3085 5.369171       6.162918 
1 1 1 14 14 10 o 389.002 2.7797 1517.61  14.976  392.653 3.4311 385.351 4.3743 7.301544       5.559446 
1 1 1 14 14 12 o 444.626 3.0251 1979.26  18.472  445.016 3.6444 444.237 4.8293 0.7787476      6.050129 
1 1 1 14 14 14 o 43.329  2.1483 18.828   1.3082  39.940  3.1973 46.718  2.8701 -6.777412      4.296541 
1 1 1 14 14 16 o 165.127 1.7691 270.957  3.9428  162.009 2.0494 168.245 2.8843 -6.235382      3.538235 
1 1 1 14 14 18 o 17.262  4.3695 2.4887   1.3364  17.212  5.7158 17.311  6.6107 -0.9891319E-01 8.739087 
1 1 1 14 14 20 o 212.236 1.9356 448.848  5.6682  208.738 2.3859 215.733 3.0485 -6.995132      3.871164 
1 1 1 14 14 22 o 131.169 1.5341 172.202  2.7383  131.325 1.7989 131.013 2.4855 0.3127747      3.068242 
1 1 1 14 14 24 o 117.172 1.5274 136.483  2.4732  114.158 1.9017 120.186 2.3907 -6.028397      3.054800 
1 1 1 14 14 26 o 93.570  1.7512 87.101   2.1367  92.331  1.8671 94.809  2.9632 -2.477463      3.502441 
1 1 1 14 14 28 o 35.171  4.8080 12.053   2.0992  31.876  5.0077 38.467  8.2092 -6.590641      9.616074 
1 1 1 14 14 30 o 243.641 2.1110 595.739  7.1196  245.207 2.6039 242.076 3.3234 3.131088       4.222027 
1 1 1 14 14 32 o 84.808  1.7836 72.084   2.1385  84.918  2.5565 84.698  2.4877 0.2201385      3.567123 
1 1 1 14 14 34 o 35.887  3.5795 12.817   1.7744  33.552  4.5673 38.221  5.5128 -4.669682      7.158984 
1 1 1 14 14 36 o 59.053  2.3394 35.116   1.9469  62.454  3.1693 55.653  3.4419 6.801064       4.678818 
1 1 1 14 14 38 f 72.935  2.3227 53.619   2.3906  72.696  3.1619 73.173  3.4031 -0.4771957     4.645324 
1 1 1 14 14 40 f 81.344  2.2169 67.072   2.3854  81.995  2.4140 80.694  3.7190 1.301010       4.433744 
1 1 1 14 14 42 o 90.113  2.0345 82.744   2.4966  91.242  2.3793 88.983  3.3007 2.258629       4.068902 
1 1 1 14 14 44 o 17.014  4.7653 1.0459   1.9256  19.628  6.7352 14.399  6.7431 5.228523       9.530582 
1 1 1 14 14 46 o 47.693  4.0133 25.020   2.6574  48.732  4.9789 46.653  6.2957 2.079185       8.026509 
1 1 1 14 14 48 o 44.160  4.5695 23.389   2.3439  48.603  3.8098 39.717  8.3071 8.885662       9.139012 
1 1 1 14 14 50 o 17.852  5.5354 2.7596   2.3936  15.266  6.6038 20.438  8.8856 -5.172183      11.07090 
1 1 1 14 15 1  o 219.599 1.9633 482.153  6.0935  222.214 2.8159 216.984 2.7367 5.230133       3.926655 
1 1 1 14 15 3  o 295.074 2.2351 871.149  9.3152  295.705 3.0662 294.443 3.2528 1.261719       4.470109 
1 1 1 14 15 5  o 212.715 1.8256 452.570  5.4904  208.799 2.5993 216.632 2.5643 -7.832932      3.651262 
1 1 1 14 15 7  o 267.470 2.0344 715.516  7.6875  266.292 2.8054 268.649 2.9471 -2.357239      4.068882 
1 1 1 14 15 9  o 461.626 3.2299 2132.64  21.027  460.065 4.3718 463.187 4.7558 -3.122314      6.459890 
1 1 1 14 15 11 o 268.145 1.9788 719.459  7.5023  265.680 2.8359 270.610 2.7606 -4.930084      3.957674 
1 1 1 14 15 13 o 181.904 1.6481 332.736  4.1118  185.317 1.9639 178.491 2.6472 6.826645       3.296122 
1 1 1 14 15 15 o 297.727 2.6143 885.630  10.119  296.556 2.7559 298.898 4.4433 -2.341797      5.228561 
1 1 1 14 15 17 o 362.029 2.8274 1304.80  14.176  353.080 3.5444 370.977 4.4061 -17.89691      5.654817 
1 1 1 14 15 19 o 423.071 3.1097 1789.98  17.983  420.503 3.7050 425.639 4.9954 -5.135803      6.219362 
1 1 1 14 15 21 o 186.131 2.0373 346.121  5.0570  185.289 2.2744 186.973 3.3808 -1.683670      4.074631 
1 1 1 14 15 23 o 189.494 1.8526 359.277  4.8161  189.266 2.2266 189.722 2.9616 -0.4562683     3.705229 
1 1 1 14 15 25 o 75.886  1.6972 57.685   1.8192  74.833  2.4744 76.939  2.3237 -2.106255      3.394433 
1 1 1 14 15 27 f 124.943 1.6449 156.340  2.9048  126.171 2.2773 123.715 2.3741 2.456169       3.289732 
1 1 1 14 15 29 o 236.949 2.5560 565.122  8.3126  240.073 3.0586 233.826 4.0960 6.246796       5.111974 
1 1 1 14 15 31 o 70.694  1.9834 50.170   1.9773  71.738  2.6701 69.649  2.9336 2.089745       3.966814 
1 1 1 14 15 33 f 22.609  4.9560 5.1260   1.8057  20.148  7.4393 25.070  6.5501 -4.922773      9.911944 
1 1 1 14 15 35 o 95.703  1.6806 92.051   2.2626  97.816  2.2194 93.591  2.5242 4.224739       3.361176 
1 1 1 14 15 37 o 47.609  2.7647 22.916   1.8318  47.620  4.2906 47.597  3.4879 0.2379608E-01  5.529442 
1 1 1 14 15 39 o 57.527  2.2369 33.397   1.8147  58.494  3.2747 56.560  3.0480 1.933140       4.473724 
1 1 1 14 15 41 o 15.801  4.4980 1.1268   1.6125  17.344  6.4071 14.258  6.3149 3.085426       8.996019 
1 1 1 14 15 43 o 28.113  4.9795 9.0729   1.9464  27.711  6.3535 28.516  7.6690 -0.8048897     9.958927 
1 1 1 14 15 45 o 16.500  4.7988 1.0000   1.8571  12.741  5.8141 20.258  7.6362 -7.516773      9.597639 
1 1 1 14 15 47 o 17.113  4.9333 1.9520   1.9702  18.603  6.9280 15.622  7.0252 2.980990       9.866672 
1 1 1 14 15 49 o 30.447  5.3426 12.415   2.2915  28.157  7.5523 32.736  7.5589 -4.578690      10.68528 
1 1 1 14 16 0  o 137.607 2.0891 189.508  5.7465  137.607 2.0891 ?       ?      0.000000       0.000000 
1 1 1 14 16 2  o 72.122  1.6276 51.987   1.6577  71.193  2.2422 73.051  2.3599 -1.857727      3.255238 
1 1 1 14 16 4  o 127.925 1.5026 163.861  2.7103  126.277 2.2248 129.573 2.0204 -3.296242      3.005278 
1 1 1 14 16 6  o 130.010 1.6322 169.076  3.0010  129.568 2.3161 130.452 2.3004 -0.8840027     3.264426 
1 1 1 14 16 8  o 275.509 2.0919 759.641  8.1258  274.645 3.0920 276.372 2.8186 -1.726807      4.183896 
1 1 1 14 16 10 o 38.856  2.3130 15.288   1.2246  37.292  3.7668 40.420  2.6854 -3.128807      4.626063 
1 1 1 14 16 12 o 97.383  1.3730 94.548   1.8571  98.822  2.1322 95.944  1.7303 2.878502       2.745927 
1 1 1 14 16 14 o 289.067 2.5252 842.034  9.6542  293.742 2.7389 284.392 4.2434 9.350342       5.050481 
1 1 1 14 16 16 o 291.472 2.9718 846.026  10.983  288.375 2.9891 294.568 5.1372 -6.193268      5.943530 
1 1 1 14 16 18 o 138.121 1.9287 186.971  3.3313  133.158 1.9180 143.083 3.3468 -9.925247      3.857495 
1 1 1 14 16 20 o 101.223 1.6842 102.782  2.3735  102.491 2.1182 99.956  2.6190 2.535294       3.368370 
1 1 1 14 16 22 o 116.138 1.5185 134.764  2.4754  114.934 1.9999 117.342 2.2854 -2.407852      3.036901 
1 1 1 14 16 24 o 117.157 1.5066 136.961  2.4640  115.314 1.9380 119.000 2.3072 -3.686157      3.013129 
1 1 1 14 16 26 o 101.221 1.7176 102.137  2.4379  98.331  2.2727 104.110 2.5758 -5.779907      3.435132 
1 1 1 14 16 28 o 32.076  3.9643 10.546   1.7553  33.230  5.1879 30.922  5.9956 2.308197       7.928576 
1 1 1 14 16 30 o 95.844  2.0712 92.370   2.7331  96.844  2.5054 94.843  3.2988 2.001083       4.142336 
1 1 1 14 16 32 o 25.523  5.3512 6.7780   2.0746  26.515  7.4177 24.531  7.7148 1.983938       10.70237 
1 1 1 14 16 34 o 58.580  2.2375 34.426   1.8429  57.944  2.9752 59.215  3.3427 -1.270603      4.474966 
1 1 1 14 16 36 o 50.640  2.6520 26.021   1.8701  51.819  3.3269 49.462  4.1309 2.357571       5.304013 
1 1 1 14 16 38 o 33.393  3.9118 11.648   1.7787  38.339  4.9962 28.447  6.0206 9.892637       7.823664 
1 1 1 14 16 40 o 20.577  5.4378 3.7586   2.1004  19.891  7.2108 21.263  8.1414 -1.371058      10.87552 
1 1 1 14 16 42 o 26.149  5.3302 7.8652   2.0374  26.438  6.5468 25.860  8.4134 0.5779419      10.66049 
1 1 1 14 16 44 o 19.954  5.1554 4.0439   1.9256  21.115  6.7242 18.792  7.8166 2.323071       10.31081 
1 1 1 14 16 46 o 16.175  4.8037 1.2665   1.9050  17.074  6.6902 15.277  6.8952 1.796996       9.607461 
1 1 1 14 16 48 o 20.147  5.5772 3.7289   2.1692  13.344  5.9866 26.949  9.4116 -13.60491      11.15432 
1 1 1 14 17 1  o 349.069 2.7128 1220.63  13.276  346.872 4.1233 351.267 3.5264 -4.394379      5.425566 
1 1 1 14 17 3  o 353.344 2.5301 1247.77  12.610  347.819 3.4512 358.870 3.7008 -11.05093      5.060270 
1 1 1 14 17 5  o 284.294 2.2643 808.990  9.0986  278.118 3.2600 290.470 3.1434 -12.35135      4.528667 
1 1 1 14 17 7  o 274.041 2.0439 751.674  7.9169  270.545 2.9501 277.537 2.8298 -6.992279      4.087850 
1 1 1 14 17 9  o 220.633 2.0291 487.448  6.3109  222.505 2.7261 218.761 3.0063 3.743927       4.058284 
1 1 1 14 17 11 o 341.576 2.9277 1166.26  14.098  348.102 4.2921 335.051 3.9829 13.05060       5.855422 
1 1 1 14 17 13 o 239.743 2.3630 575.412  7.8262  239.866 2.9015 239.619 3.7305 0.2469025      4.726048 
1 1 1 14 17 15 o 119.410 1.8559 142.450  3.1078  120.713 2.8034 118.106 2.4328 2.606224       3.711809 
1 1 1 14 17 17 o 189.533 1.8094 359.871  4.7731  190.590 2.2781 188.477 2.8118 2.113419       3.618837 
1 1 1 14 17 19 o 190.825 1.8295 364.866  4.8866  192.209 2.3586 189.442 2.7975 2.767746       3.659060 
1 1 1 14 17 21 o 265.747 2.1610 704.877  7.8425  263.037 2.5731 268.456 3.4725 -5.418915      4.321923 
1 1 1 14 17 23 o 256.298 2.1328 655.608  7.5667  252.468 2.6555 260.128 3.3382 -7.660355      4.265617 
1 1 1 14 17 25 f 142.950 1.8335 204.768  3.7033  139.444 2.6558 146.457 2.5286 -7.012589      3.667024 
1 1 1 14 17 27 o 65.970  2.1205 43.352   1.9608  63.467  2.8169 68.473  3.1704 -5.006622      4.241088 
1 1 1 14 17 29 o 110.394 1.7396 122.190  2.7133  112.103 2.3922 108.685 2.5262 3.417786       3.479102 
1 1 1 14 17 31 o 42.494  3.0011 18.245   1.7673  41.935  4.7201 43.054  3.7075 -1.119801      6.002120 
1 1 1 14 17 33 o 57.730  2.5057 33.494   2.0352  57.364  3.3392 58.096  3.7367 -0.7326698     5.011373 
1 1 1 14 17 35 o 50.095  3.2010 25.483   2.2662  49.639  4.6307 50.552  4.4207 -0.9134903     6.402034 
1 1 1 14 17 37 o 64.883  2.4353 42.557   2.2329  65.698  3.4988 64.068  3.3885 1.630379       4.870630 
1 1 1 14 17 39 o 33.349  4.8996 12.250   2.2275  34.920  6.2608 31.778  7.5382 3.142071       9.799121 
1 1 1 14 17 41 o 51.379  3.0070 27.206   2.0318  50.983  3.2562 51.776  5.0562 -0.7924156     6.013965 
1 1 1 14 17 43 o 46.621  3.3606 23.101   2.1802  46.781  4.2311 46.461  5.2223 0.3198624      6.721191 
1 1 1 14 17 45 o 17.601  5.4903 0.7343   2.6680  17.490  7.6135 17.711  7.9125 -0.2205124     10.98056 
1 1 1 14 17 47 o 17.570  5.2512 2.3767   2.2915  18.660  7.5310 16.479  7.3201 2.181213       10.50237 
1 1 1 14 18 0  o 583.381 6.2731 3409.10  73.173  583.381 6.2731 ?       ?      0.000000       0.000000 
1 1 1 14 18 2  o 305.458 2.5200 934.229  10.800  306.292 3.2937 304.624 3.8148 1.668274       5.039957 
1 1 1 14 18 4  o 273.113 2.3822 748.232  9.1304  277.767 3.1033 268.459 3.6152 9.307587       4.764417 
1 1 1 14 18 6  o 410.428 3.5730 1665.90  19.310  398.451 3.9260 422.404 5.9708 -23.95316      7.145930 
1 1 1 14 18 8  o 552.012 3.6602 3052.78  28.554  556.180 5.2694 547.844 5.0815 8.335938       7.320409 
1 1 1 14 18 10 o 227.014 2.0615 515.145  6.5738  228.942 3.0957 225.086 2.7232 3.856491       4.123046 
1 1 1 14 18 12 o 92.057  1.5947 84.813   2.0746  91.362  2.3063 92.751  2.2029 -1.388664      3.189304 
1 1 1 14 18 14 f 200.927 2.0032 404.167  5.5712  200.654 3.1503 201.200 2.4753 -0.5467377     4.006442 
1 1 1 14 18 16 o 225.534 1.9637 508.888  6.2411  226.360 2.9054 224.708 2.6426 1.651520       3.927392 
1 1 1 14 18 18 o 386.533 2.8083 1489.67  14.933  379.634 3.4311 393.432 4.4468 -13.79755      5.616582 
1 1 1 14 18 20 o 271.237 2.2508 734.397  8.4425  267.746 2.7902 274.729 3.5327 -6.983917      4.501629 
1 1 1 14 18 22 f 132.140 1.7596 174.814  3.2880  132.477 2.5063 131.803 2.4706 0.6734009      3.519291 
1 1 1 14 18 24 o 159.839 1.6973 255.269  3.8044  157.678 2.2272 161.999 2.5619 -4.321274      3.394660 
1 1 1 14 18 26 o 83.630  1.7583 69.980   2.0629  84.117  2.6567 83.143  2.3039 0.9738617      3.516555 
1 1 1 14 18 28 o 44.653  2.8398 20.058   1.7787  44.493  4.3052 44.814  3.7045 -0.3208389     5.679599 
1 1 1 14 18 30 o 59.666  2.2737 35.731   1.9070  59.970  3.4071 59.362  3.0117 0.6075401      4.547377 
1 1 1 14 18 32 o 20.849  5.0103 3.9793   1.7673  23.756  7.4786 17.941  6.6694 5.815041       10.02055 
1 1 1 14 18 34 o 130.924 1.7775 172.266  3.2855  130.102 2.6011 131.746 2.4232 -1.644394      3.554970 
1 1 1 14 18 36 o 13.355  4.4617 -4.4621  2.1469  14.546  6.8307 12.164  5.7419 2.381613       8.923448 
1 1 1 14 18 38 o 31.086  5.4457 10.446   2.2986  34.286  8.4285 27.886  6.8982 6.399855       10.89148 
1 1 1 14 18 40 o 15.258  4.7169 -0.2031  1.9344  15.249  6.7952 15.267  6.5440 -0.1803970E-01 9.433899 
1 1 1 14 18 42 o 23.462  4.9368 6.3212   1.7878  21.188  7.1288 25.737  6.8313 -4.548656      9.873538 
1 1 1 14 18 44 o 21.132  4.7443 4.2466   1.9986  27.633  6.7497 14.631  6.6690 13.00160       9.488614 
1 1 1 14 18 46 o 31.858  4.5196 12.237   1.9464  33.382  5.1643 30.333  7.4187 3.049320       9.039195 
1 1 1 14 19 1  o 39.126  2.5047 15.434   1.3720  36.596  3.8384 41.657  3.2188 -5.060738      5.009445 
1 1 1 14 19 3  o 128.016 1.5867 163.706  2.8676  130.882 2.2929 125.151 2.1938 5.731102       3.173350 
1 1 1 14 19 5  o 242.109 2.1450 587.294  7.2605  240.511 3.2919 243.707 2.7510 -3.196320      4.290060 
1 1 1 14 19 7  o 256.327 2.4175 660.092  8.4905  253.088 3.8852 259.565 2.8781 -6.476425      4.835092 
1 1 1 14 19 9  o 91.446  1.8352 82.343   2.1727  94.432  3.1103 88.459  1.9489 5.973083       3.670432 
1 1 1 14 19 11 o 337.452 2.9318 1140.44  13.960  338.562 4.2999 336.341 3.9866 2.221832       5.863648 
1 1 1 14 19 13 o 118.794 1.9007 140.039  3.0442  121.545 3.0994 116.042 2.2009 5.503212       3.801369 
1 1 1 14 19 15 o 220.031 2.2463 485.812  6.8358  217.912 3.5454 222.150 2.7592 -4.237640      4.492590 
1 1 1 14 19 17 o 158.660 1.9277 250.695  4.0442  160.538 3.2216 156.781 2.1177 3.756699       3.855321 
1 1 1 14 19 19 o 282.616 2.7254 800.861  10.882  280.536 3.9603 284.697 3.7454 -4.161377      5.450845 
1 1 1 14 19 21 o 162.509 2.0041 264.996  4.5008  161.280 3.1672 163.738 2.4567 -2.457947      4.008297 
1 1 1 14 19 23 o 111.912 2.0752 124.561  3.1550  114.331 3.3508 109.494 2.4492 4.837013       4.150492 
1 1 1 14 19 25 o 89.874  2.4576 80.740   3.0227  90.864  3.9352 88.885  2.9452 1.978760       4.915266 
1 1 1 14 19 27 o 58.469  3.8660 34.782   2.6532  57.686  6.9732 59.253  3.3405 -1.566639      7.732071 
1 1 1 14 19 29 f 74.264  2.5411 54.634   2.5386  77.191  4.1359 71.338  2.9536 5.853020       5.082280 
1 1 1 14 19 31 o 32.606  3.8319 10.881   1.7145  28.986  5.7105 36.226  5.1114 -7.240726      7.663898 
1 1 1 14 19 33 o 37.287  3.5940 14.203   1.8830  34.473  5.3713 40.101  4.7768 -5.627663      7.188093 
1 1 1 14 19 35 o 34.645  4.2143 12.573   1.9986  34.367  6.5522 34.924  5.3021 -0.5567093     8.428682 
1 1 1 14 19 37 o 61.260  2.3590 38.043   2.0412  60.974  3.2462 61.546  3.4236 -0.5717087     4.717948 
1 1 1 14 19 39 o 40.379  3.8443 17.367   2.1709  43.858  4.9499 36.900  5.8832 6.957645       7.688559 
1 1 1 14 19 41 o 24.721  5.5346 7.0883   2.1913  23.395  8.1776 26.047  7.4602 -2.652197      11.06926 
1 1 1 14 19 43 o 44.796  3.7575 21.837   2.2566  45.476  4.2121 44.115  6.2236 1.360767       7.515031 
1 1 1 14 19 45 o 28.377  5.3831 10.143   2.1892  24.160  7.3080 32.593  7.9058 -8.433546      10.76613 
1 1 1 14 19 47 o 16.319  5.1098 1.1291   2.3843  17.057  7.1992 15.580  7.2533 1.477371       10.21957 
1 1 1 14 20 0  o 14.250  7.9435 2.8094   3.3202  14.250  7.9435 ?       ?      0.000000       0.000000 
1 1 1 14 20 2  o 108.934 1.5958 118.709  2.4578  110.809 2.2473 107.059 2.2663 3.749847       3.191627 
1 1 1 14 20 4  o 94.473  1.7921 89.295   2.3940  93.224  2.5342 95.723  2.5347 -2.499016      3.584267 
1 1 1 14 20 6  o 254.424 2.4237 647.184  8.6818  257.642 3.5935 251.206 3.2534 6.436249       4.847476 
1 1 1 14 20 8  o 185.751 1.9323 345.281  5.0759  184.789 2.7297 186.712 2.7358 -1.923172      3.864683 
1 1 1 14 20 10 o 92.016  1.8753 84.750   2.3994  91.905  2.9179 92.127  2.3564 -0.2218781     3.750625 
1 1 1 14 20 12 o 159.201 1.8039 252.683  4.0120  162.438 2.7515 155.964 2.3335 6.473587       3.607806 
1 1 1 14 20 14 o 125.298 1.6223 156.507  2.8506  128.399 2.4367 122.197 2.1423 6.201828       3.244533 
1 1 1 14 20 16 o 125.695 1.7289 157.685  3.0316  127.487 2.6544 123.903 2.2159 3.584831       3.457787 
1 1 1 14 20 18 o 183.100 1.8351 335.614  4.6697  183.198 2.8580 183.001 2.3028 0.1966248      3.670259 
1 1 1 14 20 20 o 153.490 1.7228 235.441  3.7131  151.446 2.2767 155.535 2.5863 -4.089157      3.445592 
1 1 1 14 20 22 o 67.697  2.0709 45.888   1.9711  67.925  3.1020 67.469  2.7445 0.4565964      4.141826 
1 1 1 14 20 24 o 50.225  3.1738 26.051   2.1409  45.874  5.2891 54.577  3.5098 -8.702465      6.347666 
1 1 1 14 20 26 o 64.523  2.4973 41.933   2.2662  60.074  3.7200 68.972  3.3327 -8.898197      4.994546 
1 1 1 14 20 28 o 60.786  2.5562 36.661   2.1654  56.473  3.3919 65.100  3.8252 -8.626915      5.112439 
1 1 1 14 20 30 o 82.987  2.0381 68.688   2.3735  79.208  2.7408 86.766  3.0172 -7.557732      4.076152 
1 1 1 14 20 32 o 50.121  2.6258 25.289   1.8429  44.678  3.8587 55.565  3.5623 -10.88719      5.251576 
1 1 1 14 20 34 o 34.677  3.7531 12.686   1.7507  31.535  6.0890 37.819  4.3896 -6.284092      7.506283 
1 1 1 14 20 36 o 29.639  5.2069 9.7349   2.2024  33.293  6.9403 25.985  7.7639 7.307554       10.41378 
1 1 1 14 20 38 o 18.787  5.2879 2.5618   2.0587  21.006  8.1172 16.567  6.7793 4.438765       10.57588 
1 1 1 14 20 40 o 18.946  5.1193 3.2542   1.9134  18.730  7.1295 19.161  7.3485 -0.4307728     10.23866 
1 1 1 14 20 42 o 24.451  5.6271 6.3904   2.0840  17.717  6.6529 31.184  9.0771 -13.46634      11.25412 
1 1 1 14 20 44 o 16.641  4.8906 1.6931   1.9608  17.897  6.9570 15.385  6.8755 2.511518       9.781274 
1 1 1 14 20 46 o 16.100  4.9516 1.5440   2.0897  14.537  6.4783 17.663  7.4902 -3.125998      9.903114 
1 1 1 14 21 1  o 115.877 2.1821 134.395  3.5745  116.123 3.1342 115.631 3.0370 0.4919281      4.364236 
1 1 1 14 21 3  o 156.622 2.0466 245.251  4.5253  159.021 2.9713 154.222 2.8153 4.799347       4.093209 
1 1 1 14 21 5  o 198.569 1.9328 394.590  5.4265  198.442 2.7028 198.696 2.7636 -0.2537079     3.865540 
1 1 1 14 21 7  o 133.524 1.7248 178.393  3.2551  133.618 2.4849 133.430 2.3927 0.1880035      3.449542 
1 1 1 14 21 9  o 141.746 1.7626 199.531  3.4177  145.311 2.8122 138.182 2.1256 7.129501       3.525111 
1 1 1 14 21 11 o 199.220 1.9473 398.350  5.4366  195.521 2.9717 202.918 2.5173 -7.396271      3.894614 
1 1 1 14 21 13 f 99.155  1.6667 98.442   2.3196  98.796  2.5205 99.515  2.1815 -0.7186127     3.333463 
1 1 1 14 21 15 o 150.560 1.7716 226.673  3.7499  151.780 2.6503 149.341 2.3515 2.439484       3.543100 
1 1 1 14 21 17 o 82.242  1.6589 67.245   1.8623  84.052  2.6588 80.433  1.9846 3.619537       3.317795 
1 1 1 14 21 19 f 59.694  2.9194 36.698   2.0840  57.229  5.2438 62.160  2.5680 -4.930607      5.838841 
1 1 1 14 21 21 o 146.460 1.7735 214.693  3.6645  145.684 2.4105 147.237 2.6020 -1.552841      3.546952 
1 1 1 14 21 23 f 212.728 2.0407 453.680  6.1130  213.144 2.7260 212.312 3.0375 0.8322144      4.081363 
1 1 1 14 21 25 o 124.965 1.7523 156.285  3.0885  122.834 2.3911 127.097 2.5621 -4.262947      3.504564 
1 1 1 14 21 27 o 146.276 2.3517 214.906  4.7275  146.027 2.8421 146.524 3.7476 -0.4965668     4.703427 
1 1 1 14 21 29 o 92.749  1.7796 86.382   2.3301  90.543  2.6092 94.956  2.4207 -4.413368      3.559208 
1 1 1 14 21 31 o 89.770  2.0369 81.066   2.5855  88.710  2.8791 90.830  2.8822 -2.120270      4.073796 
1 1 1 14 21 33 o 45.129  3.2861 20.925   2.0746  41.790  5.0420 48.467  4.2156 -6.677158      6.572173 
1 1 1 14 21 35 o 16.417  4.8747 0.7534   1.9134  15.771  6.7066 17.063  7.0763 -1.292890      9.749494 
1 1 1 14 21 37 o 15.181  4.6578 0.0683   1.8429  15.592  6.7874 14.771  6.3807 0.8204527      9.315673 
1 1 1 14 21 39 o 18.942  5.1536 3.1988   1.9427  18.908  7.1492 18.976  7.4249 -0.6810760E-01 10.30725 
1 1 1 14 21 41 o 30.165  4.9433 10.717   2.0707  32.524  6.8858 27.806  7.0943 4.717714       9.886519 
1 1 1 14 21 43 o 24.674  5.0503 7.5092   1.9469  28.508  6.8040 20.840  7.4650 7.668592       10.10054 
1 1 1 14 21 45 o 17.866  5.4845 2.6817   2.4519  16.310  6.9936 19.423  8.4504 -3.113411      10.96902 
1 1 1 14 22 0  o 427.374 4.4084 1829.06  37.672  427.374 4.4084 ?       ?      0.000000       0.000000 
1 1 1 14 22 2  o 243.374 2.2791 591.018  7.7267  239.391 2.9073 247.356 3.5106 -7.964966      4.558111 
1 1 1 14 22 4  o 69.976  2.3279 49.101   2.2986  72.667  3.1632 67.284  3.4163 5.383553       4.655846 
1 1 1 14 22 6  o 123.918 1.8295 153.567  3.1606  124.397 2.8230 123.439 2.3277 0.9583893      3.658915 
1 1 1 14 22 8  o 141.693 1.7542 200.816  3.5013  142.475 2.5993 140.910 2.3563 1.564651       3.508313 
1 1 1 14 22 10 o 57.954  2.4362 33.495   1.9279  58.766  3.9115 57.143  2.9052 1.622547       4.872352 
1 1 1 14 22 12 o 37.025  3.7465 14.148   1.7966  35.444  6.3553 38.607  3.9693 -3.163086      7.493001 
1 1 1 14 22 14 o 97.635  1.8863 95.444   2.4519  97.643  3.1388 97.628  2.0929 0.1435089E-01  3.772557 
1 1 1 14 22 16 o 68.944  2.0592 48.013   1.8590  67.623  3.4936 70.265  2.1809 -2.642113      4.118456 
1 1 1 14 22 18 o 102.721 1.7599 105.447  2.5397  104.172 2.6356 101.270 2.3328 2.901924       3.519729 
1 1 1 14 22 20 f 196.159 2.0169 385.320  5.5648  196.982 3.0145 195.336 2.6804 1.645462       4.033839 
1 1 1 14 22 22 o 153.099 2.0515 235.123  4.4374  148.472 2.9673 157.725 2.8337 -9.252777      4.103078 
1 1 1 14 22 24 o 160.849 1.8709 259.629  4.2343  162.082 2.4818 159.616 2.8002 2.466187       3.741714 
1 1 1 14 22 26 o 66.713  2.4389 44.782   2.2968  66.081  3.5751 67.346  3.3184 -1.264923      4.877811 
1 1 1 14 22 28 f 130.611 1.7805 171.134  3.2880  130.021 2.5536 131.202 2.4820 -1.181015      3.561042 
1 1 1 14 22 30 o 86.237  1.9663 74.879   2.3940  88.242  2.6773 84.231  2.8806 4.011353       3.932591 
1 1 1 14 22 32 o 55.188  2.6544 31.119   2.0253  57.338  3.2294 53.038  4.2135 4.299927       5.308746 
1 1 1 14 22 34 o 60.836  2.7452 37.636   2.3556  62.295  3.9974 59.376  3.7637 2.918861       5.490432 
1 1 1 14 22 36 o 25.061  5.2261 7.1348   1.9711  25.453  7.6579 24.670  7.1138 0.7825775      10.45220 
1 1 1 14 22 38 o 19.377  5.1174 2.2486   2.1987  14.520  6.7124 24.235  7.7263 -9.714274      10.23484 
1 1 1 14 22 40 o 20.254  4.9882 3.6785   2.0585  16.055  7.2954 24.453  6.8048 -8.397406      9.976377 
1 1 1 14 22 42 o 16.392  4.9245 1.0581   1.9702  13.214  6.0016 19.571  7.8093 -6.356733      9.849085 
1 1 1 14 22 44 o 20.327  5.8064 5.0229   2.6072  21.064  7.8792 19.590  8.5307 1.474154       11.61273 
1 1 1 14 23 1  o 388.026 2.9934 1506.54  16.320  393.207 4.4818 382.846 3.9693 10.36050       5.986823 
1 1 1 14 23 3  o 315.278 2.9428 998.219  12.790  312.868 4.6735 317.688 3.5775 -4.819794      5.885568 
1 1 1 14 23 5  o 255.363 2.5876 652.941  9.1708  255.961 4.0412 254.766 3.2330 1.194183       5.175282 
1 1 1 14 23 7  o 107.562 1.9510 115.689  2.8691  107.960 3.1346 107.164 2.3237 0.7957077      3.901940 
1 1 1 14 23 9  o 155.613 1.8461 241.602  4.0120  158.426 2.8212 152.799 2.3819 5.626923       3.692226 
1 1 1 14 23 11 o 136.900 1.7374 187.235  3.3154  138.353 2.6767 135.448 2.2156 2.905273       3.474724 
1 1 1 14 23 13 o 75.994  1.8657 58.096   1.9464  74.720  2.9909 77.268  2.2312 -2.547966      3.731398 
1 1 1 14 23 15 o 88.418  1.7291 78.418   2.1004  87.825  2.7627 89.011  2.0803 -1.185196      3.458298 
1 1 1 14 23 17 o 87.713  2.0152 76.906   2.3650  88.158  3.3317 87.267  2.2682 0.8905716      4.030443 
1 1 1 14 23 19 o 27.006  5.2530 7.3575   1.9646  29.810  8.2782 24.203  6.4691 5.607389       10.50605 
1 1 1 14 23 21 o 82.924  2.2730 69.168   2.6309  81.859  3.5100 83.988  2.8889 -2.128944      4.545961 
1 1 1 14 23 23 o 94.302  1.9429 89.121   2.4758  94.490  3.1760 94.113  2.2389 0.3764267      3.885781 
1 1 1 14 23 25 o 83.741  2.0526 70.491   2.4263  80.768  3.0041 86.715  2.7980 -5.947273      4.105293 
1 1 1 14 23 27 o 20.341  5.3661 3.3025   2.0354  21.264  8.0650 19.417  7.0808 1.847441       10.73228 
1 1 1 14 23 29 o 19.932  4.9441 3.5594   1.7507  17.458  6.7210 22.407  7.2529 -4.948629      9.888190 
1 1 1 14 23 31 o 16.063  4.7839 0.5614   1.8429  16.758  7.0207 15.367  6.5002 1.391132       9.567778 
1 1 1 14 23 33 o 53.009  2.8143 28.686   2.1051  52.435  4.1402 53.584  3.8131 -1.148651      5.628591 
1 1 1 14 23 35 o 17.804  4.9158 2.2348   1.8517  15.639  6.6803 19.968  7.2135 -4.329165      9.831634 
1 1 1 14 23 37 o 35.872  4.8252 14.446   2.3906  31.819  7.3640 39.924  6.2372 -8.105564      9.650492 
1 1 1 14 23 39 o 21.232  4.6727 4.2538   1.8429  28.471  6.9936 13.994  6.1991 14.47631       9.345491 
1 1 1 14 23 41 o 14.687  4.6374 -1.2279  2.0746  12.369  5.9329 17.005  7.1289 -4.635843      9.274783 
1 1 1 14 23 43 f 21.395  5.5441 6.0723   2.2024  21.990  7.8238 20.801  7.8573 1.189152       11.08821 
1 1 1 14 24 0  o 151.314 2.8294 229.351  8.5560  151.314 2.8294 ?       ?      0.000000       0.000000 
1 1 1 14 24 2  o 116.270 1.7670 135.315  2.9048  114.404 2.5115 118.136 2.4862 -3.731598      3.533976 
1 1 1 14 24 4  o 82.614  2.1483 68.772   2.4885  87.254  2.7807 77.973  3.2755 9.281357       4.296683 
1 1 1 14 24 6  o 50.174  3.3338 25.302   2.3607  50.816  4.5234 49.532  4.8985 1.284027       6.667561 
1 1 1 14 24 8  o 103.150 2.0797 106.301  3.0164  100.997 2.7817 105.303 3.0924 -4.306816      4.159398 
1 1 1 14 24 10 o 100.095 2.0750 100.373  2.9371  100.541 2.9213 99.648  2.9475 0.8930664      4.149901 
1 1 1 14 24 12 o 87.030  2.1268 75.845   2.6163  85.310  2.9938 88.750  3.0217 -3.439995      4.253632 
1 1 1 14 24 14 o 68.989  2.2381 47.781   2.1540  68.283  3.4598 69.696  2.8400 -1.412636      4.476158 
1 1 1 14 24 16 o 165.251 2.0947 274.131  4.8827  160.974 3.0939 169.527 2.8248 -8.553207      4.189447 
1 1 1 14 24 18 o 162.219 2.0034 263.378  4.5893  157.001 2.8061 167.437 2.8600 -10.43596      4.006783 
1 1 1 14 24 20 o 115.442 2.1916 134.643  3.5296  110.715 3.4026 120.169 2.7630 -9.453384      4.383100 
1 1 1 14 24 22 o 58.685  2.7031 34.733   2.2275  57.739  4.0916 59.632  3.5335 -1.892792      5.406201 
1 1 1 14 24 24 o 45.927  3.7062 22.078   2.2702  41.002  6.2290 50.852  4.0180 -9.849377      7.412425 
1 1 1 14 24 26 o 24.247  4.7314 5.5076   1.9773  16.125  6.8379 32.369  6.5411 -16.24403      9.462702 
1 1 1 14 24 28 o 40.487  3.3570 16.902   1.8701  37.907  5.3901 43.066  4.0031 -5.159103      6.713952 
1 1 1 14 24 30 o 18.814  4.6522 3.0501   1.6208  16.507  6.9105 21.121  6.2304 -4.613871      9.304434 
1 1 1 14 24 32 o 67.182  2.3253 45.275   2.1469  69.693  3.6647 64.670  2.8632 5.022545       4.650578 
1 1 1 14 24 34 f 29.320  5.3751 9.9733   2.2555  27.491  8.2068 31.149  6.9438 -3.657940      10.75025 
1 1 1 14 24 36 f 49.298  3.5781 25.859   2.4247  47.868  5.7357 50.729  4.2795 -2.860439      7.156254 
1 1 1 14 24 38 o 21.626  5.2694 5.2053   2.0108  24.414  7.5809 18.838  7.3208 5.575783       10.53875 
1 1 1 14 24 40 o 21.736  5.5598 5.6244   2.1654  22.454  8.3335 21.019  7.3620 1.434771       11.11961 
1 1 1 14 24 42 o 37.960  4.2935 17.170   2.2183  37.185  6.7759 38.735  5.2748 -1.549923      8.586981 
1 1 1 14 25 1  o 93.555  1.8432 87.984   2.4246  89.695  2.7763 97.414  2.4252 -7.718964      3.686337 
1 1 1 14 25 3  o 32.693  4.3555 11.310   1.8815  29.374  7.3912 36.012  4.6099 -6.637829      8.711006 
1 1 1 14 25 5  o 142.053 1.7661 202.213  3.5411  140.408 2.5921 143.699 2.3994 -3.291397      3.532140 
1 1 1 14 25 7  o 154.065 1.8610 237.719  4.0543  153.918 2.6549 154.211 2.6085 -0.2937469     3.721950 
1 1 1 14 25 9  o 61.678  2.4919 37.537   2.1033  64.912  3.9346 58.445  3.0590 6.466564       4.983809 
1 1 1 14 25 11 o 61.293  2.5246 37.559   2.1240  61.895  4.0232 60.692  3.0509 1.203388       5.049199 
1 1 1 14 25 13 o 73.315  2.1870 53.583   2.1454  74.327  3.6080 72.304  2.4726 2.022942       4.373976 
1 1 1 14 25 15 o 85.148  2.0707 72.379   2.4640  87.113  3.1517 83.183  2.6866 3.930138       4.141389 
1 1 1 14 25 17 o 104.424 1.9855 108.860  2.8263  105.875 3.1963 102.974 2.3562 2.900673       3.970926 
1 1 1 14 25 19 o 141.966 1.8764 201.304  3.7401  145.980 2.7993 137.952 2.4994 8.027740       3.752717 
1 1 1 14 25 21 o 161.516 2.0309 262.306  4.6272  157.549 2.9990 165.482 2.7395 -7.932312      4.061893 
1 1 1 14 25 23 o 125.605 1.8471 159.654  3.1710  121.717 2.9901 129.493 2.1696 -7.776047      3.694293 
1 1 1 14 25 25 o 73.586  2.4814 53.943   2.3439  75.246  4.2428 71.925  2.5744 3.320610       4.962739 
1 1 1 14 25 27 o 38.330  4.0345 15.351   2.1051  33.785  6.2825 42.875  5.0634 -9.089752      8.068914 
1 1 1 14 25 29 o 89.568  2.0440 80.899   2.5761  89.048  2.7247 90.087  3.0477 -1.039520      4.088092 
1 1 1 14 25 31 o 77.373  2.1365 60.327   2.2951  78.986  3.3143 75.760  2.6969 3.225563       4.272982 
1 1 1 14 25 33 o 38.755  4.3053 17.095   2.1004  32.799  7.5492 44.711  4.1414 -11.91176      8.610592 
1 1 1 14 25 35 o 23.321  5.2815 6.1935   1.9794  22.219  7.5010 24.423  7.4371 -2.203959      10.56292 
1 1 1 14 25 37 o 44.059  3.6882 20.853   2.2827  47.600  5.2315 40.519  5.2002 7.080784       7.376369 
1 1 1 14 25 39 o 13.892  4.4487 -1.7438  1.9427  16.475  7.0267 11.310  5.4579 5.165597       8.897381 
1 1 1 14 25 41 o 16.395  5.1750 1.0687   2.3188  17.763  7.9662 15.026  6.6078 2.737288       10.35004 
1 1 1 14 26 0  o 160.323 2.7099 257.445  8.6837  160.323 2.7099 ?       ?      0.000000       0.000000 
1 1 1 14 26 2  o 132.160 1.7765 174.820  3.3190  129.603 2.5126 134.717 2.5120 -5.114716      3.552903 
1 1 1 14 26 4  o 89.900  1.8625 80.631   2.3349  91.591  2.8582 88.209  2.3887 3.382202       3.724956 
1 1 1 14 26 6  o 78.582  2.1549 61.875   2.3940  78.787  2.9985 78.377  3.0957 0.4103165      4.309834 
1 1 1 14 26 8  o 58.575  2.5138 34.326   2.0511  59.265  3.8786 57.884  3.1989 1.380432       5.027542 
1 1 1 14 26 10 o 49.001  3.1068 24.252   2.0374  48.306  5.1550 49.695  3.4691 -1.389343      6.213573 
1 1 1 14 26 12 o 24.468  5.0613 5.7965   2.0987  19.302  8.1330 29.635  6.0269 -10.33282      10.12268 
1 1 1 14 26 14 o 51.474  2.9389 26.503   2.1156  53.178  4.4426 49.771  3.8487 3.407188       5.877819 
1 1 1 14 26 16 o 104.003 2.0006 107.718  2.8872  107.245 3.0959 100.760 2.5348 6.485397       4.001214 
1 1 1 14 26 18 o 60.460  2.8901 36.284   2.3650  63.011  4.6613 57.908  3.4181 5.102322       5.780233 
1 1 1 14 26 20 o 137.434 1.8752 189.634  3.6350  136.117 2.7676 138.750 2.5310 -2.632843      3.750414 
1 1 1 14 26 22 o 87.850  2.2293 78.248   2.6502  85.526  3.6581 90.173  2.5491 -4.646622      4.458699 
1 1 1 14 26 24 f 50.764  3.7392 26.787   2.1096  49.174  6.8818 52.354  2.9270 -3.180035      7.478451 
1 1 1 14 26 26 o 63.584  2.7107 42.061   2.1550  60.230  4.7705 66.937  2.5755 -6.707291      5.421328 
1 1 1 14 26 28 o 35.677  4.3182 13.435   2.1347  37.031  6.0349 34.324  6.1780 2.707157       8.636384 
1 1 1 14 26 30 o 50.957  3.2449 26.908   2.3301  48.991  4.8222 52.923  4.3434 -3.931507      6.489898 
1 1 1 14 26 32 o 24.912  5.3755 6.9506   2.2275  20.369  7.9810 29.455  7.2034 -9.086449      10.75108 
1 1 1 14 26 34 o 21.863  5.2795 5.2074   2.0108  19.224  7.3555 24.502  7.5754 -5.278042      10.55894 
1 1 1 14 26 36 o 22.816  5.7558 6.0882   2.3607  23.869  8.0833 21.762  8.1961 2.107140       11.51160 
1 1 1 14 26 38 o 21.616  5.6119 5.0072   2.4246  17.132  7.4358 26.101  8.4072 -8.969543      11.22375 
1 1 1 14 26 40 o 19.539  5.2682 4.6169   2.0629  18.274  7.5451 20.803  7.3545 -2.529009      10.53644 
1 1 1 14 27 1  o 59.011  2.8457 35.087   2.3556  57.483  4.3320 60.539  3.6914 -3.055782      5.691453 
1 1 1 14 27 3  o 147.899 1.9075 218.457  3.9700  143.840 2.5746 151.959 2.8152 -8.118759      3.814992 
1 1 1 14 27 5  f 178.365 1.9750 318.476  4.9672  180.493 2.9008 176.236 2.6810 4.256454       3.950003 
1 1 1 14 27 7  o 189.642 1.9047 360.332  5.1048  190.726 2.7452 188.558 2.6413 2.167862       3.809493 
1 1 1 14 27 9  o 151.464 1.8928 229.884  4.0522  152.931 2.7138 149.997 2.6392 2.933609       3.785530 
1 1 1 14 27 11 o 102.324 1.8530 104.646  2.6680  104.958 2.7376 99.690  2.4979 5.267525       3.705905 
1 1 1 14 27 13 o 86.166  2.1133 74.274   2.4966  87.048  3.3741 85.284  2.5455 1.763954       4.226644 
1 1 1 14 27 15 o 76.238  2.3629 58.203   2.4538  77.056  3.8117 75.421  2.7938 1.635330       4.725874 
1 1 1 14 27 17 o 55.460  2.7533 30.460   2.0318  57.676  4.5389 53.244  3.1180 4.432835       5.506653 
1 1 1 14 27 19 o 37.923  4.3141 14.416   2.0870  40.118  7.2702 35.728  4.6466 4.390736       8.628237 
1 1 1 14 27 21 o 28.112  5.2722 8.2358   2.0585  31.270  8.1033 24.953  6.7469 6.316305       10.54443 
1 1 1 14 27 23 o 23.356  5.6419 5.0627   2.2902  21.552  8.7952 25.161  7.0688 -3.608980      11.28376 
1 1 1 14 27 25 o 24.108  5.2173 5.9944   1.9831  21.493  8.6113 26.723  5.8928 -5.230520      10.43454 
1 1 1 14 27 27 o 74.891  2.7425 57.636   2.5834  73.313  4.7901 76.469  2.6720 -3.155228      5.484918 
1 1 1 14 27 29 o 53.571  3.2077 30.112   2.3906  57.526  3.9958 49.616  5.0189 7.910034       6.415303 
1 1 1 14 27 31 o 25.778  5.4863 7.6991   2.2024  28.583  7.6608 22.972  7.8556 5.611021       10.97261 
1 1 1 14 27 33 f 40.705  4.0408 17.803   2.2776  43.357  6.1852 38.053  5.2015 5.303406       8.081654 
1 1 1 14 27 35 o 21.740  5.4526 5.4370   2.0993  23.064  7.9639 20.417  7.4500 2.646214       10.90530 
1 1 1 14 27 37 o 27.254  5.6511 9.0452   2.3650  34.634  8.5263 19.874  7.4190 14.76018       11.30219 
1 1 1 14 27 39 o 32.214  5.0564 13.543   2.1367  28.918  8.8713 35.510  4.8549 -6.591618      10.11289 
1 1 1 14 28 0  o 177.643 2.6971 316.188  9.5776  177.643 2.6971 ?       ?      0.000000       0.000000 
1 1 1 14 28 2  o 193.884 2.0027 376.963  5.4904  193.660 2.8025 194.108 2.8618 -0.4483032     4.005470 
1 1 1 14 28 4  o 140.180 1.8843 196.997  3.7350  142.090 2.6513 138.270 2.6783 3.819977       3.768630 
1 1 1 14 28 6  o 149.433 2.0083 223.450  4.2343  154.045 2.9014 144.820 2.7776 9.225418       4.016669 
1 1 1 14 28 8  o 83.698  2.3243 69.759   2.6921  86.511  3.6165 80.885  2.9208 5.625282       4.648652 
1 1 1 14 28 10 o 161.567 2.0726 262.168  4.7111  160.449 3.1040 162.684 2.7474 -2.235458      4.145214 
1 1 1 14 28 12 o 78.696  2.3300 61.935   2.4519  79.634  3.8486 77.759  2.6276 1.874886       4.660089 
1 1 1 14 28 14 o 102.953 2.1085 106.510  3.0595  102.098 3.1269 103.808 2.8294 -1.709938      4.216994 
1 1 1 14 28 16 o 119.113 1.9983 141.889  3.3008  120.961 3.1144 117.265 2.5047 3.695953       3.996597 
1 1 1 14 28 18 o 74.399  3.1675 55.570   2.8656  75.154  5.6073 73.643  2.9479 1.511093       6.334962 
1 1 1 14 28 20 f 34.987  5.1787 13.075   2.4754  31.320  7.4396 38.654  7.2060 -7.334064      10.35730 
1 1 1 14 28 22 o 35.252  4.7859 13.238   2.2702  36.389  7.2759 34.116  6.2195 2.272743       9.571880 
1 1 1 14 28 24 o 28.736  5.2435 8.5240   2.0188  33.671  8.2154 23.800  6.5178 9.871002       10.48694 
1 1 1 14 28 26 o 48.261  3.5516 24.338   2.1213  46.863  6.2675 49.660  3.3430 -2.797180      7.103292 
1 1 1 14 28 28 o 19.628  5.4866 2.9006   2.0523  23.318  8.8795 15.938  6.4473 7.379188       10.97329 
1 1 1 14 28 30 o 18.850  5.2754 2.5521   2.1690  16.641  7.2276 21.058  7.6863 -4.416483      10.55070 
1 1 1 14 28 32 o 17.178  5.2441 0.9884   2.3091  17.501  7.6636 16.855  7.1606 0.6462727      10.48829 
1 1 1 14 28 34 o 19.710  5.5624 3.6267   2.2986  19.858  8.3954 19.563  7.2993 0.2953262      11.12484 
1 1 1 14 28 36 o 45.958  3.3849 22.982   2.1802  48.285  5.0250 43.631  4.5366 4.654453       6.769881 
1 1 1 14 28 38 o 17.668  5.3491 2.6130   2.3576  17.594  7.9940 17.741  7.1096 -0.1466084     10.69815 
1 1 1 14 29 1  o 55.217  3.1842 30.493   2.4640  58.234  4.7147 52.201  4.2811 6.033363       6.368389 
1 1 1 14 29 3  o 73.943  2.1387 54.714   2.2183  75.473  3.2148 72.413  2.8216 3.059692       4.277460 
1 1 1 14 29 5  o 66.982  2.6003 45.032   2.4379  67.851  3.9524 66.112  3.3803 1.738693       5.200699 
1 1 1 14 29 7  f 43.874  3.7546 19.323   2.3091  47.894  5.3327 39.854  5.2869 8.039265       7.509266 
1 1 1 14 29 9  o 26.774  5.8312 7.4067   2.4112  26.605  7.8617 26.942  8.6143 -0.3364487     11.66244 
1 1 1 14 29 11 o 28.614  5.9731 8.5560   2.5540  29.611  8.9492 27.618  7.9136 1.992155       11.94628 
1 1 1 14 29 13 o 85.762  2.2676 73.713   2.7218  87.137  3.4440 84.387  2.9509 2.749863       4.535264 
1 1 1 14 29 15 o 106.537 2.1054 114.436  3.1577  103.313 3.1520 109.761 2.7923 -6.448257      4.210894 
1 1 1 14 29 17 o 80.070  2.4853 64.367   2.7731  82.060  3.8126 78.080  3.1893 3.980591       4.970680 
1 1 1 14 29 19 o 79.030  2.4388 62.938   2.5844  79.369  4.0224 78.691  2.7588 0.6782837      4.877557 
1 1 1 14 29 21 o 102.146 2.1599 105.638  3.0701  100.557 3.3653 103.735 2.7083 -3.178772      4.319748 
1 1 1 14 29 23 o 46.775  3.6078 22.926   2.2117  44.727  6.1385 48.823  3.7926 -4.095577      7.215594 
1 1 1 14 29 25 o 30.020  5.6066 10.030   2.2902  31.927  9.0085 28.113  6.6769 3.814339       11.21311 
1 1 1 14 29 27 o 22.626  5.8170 5.1545   2.1991  24.154  9.3893 21.099  6.8695 3.055349       11.63395 
1 1 1 14 29 29 o 24.071  5.3988 6.4905   1.9988  23.175  8.8637 24.966  6.1664 -1.790661      10.79761 
1 1 1 14 29 31 o 29.237  5.5711 10.384   2.4545  34.770  7.5568 23.705  8.1880 11.06519       11.14216 
1 1 1 14 29 33 o 18.509  5.1368 2.8990   2.0585  16.984  7.5317 20.033  6.9873 -3.048561      10.27368 
1 1 1 14 29 35 f 35.084  5.5394 15.853   2.5844  35.921  8.9177 34.246  6.5736 1.674171       11.07872 
1 1 1 14 29 37 o 22.723  5.6603 7.2682   2.2447  24.384  8.4079 21.061  7.5805 3.322933       11.32065 
1 1 1 14 30 0  o 111.234 2.9897 124.253  6.6404  111.234 2.9897 ?       ?      0.000000       0.000000 
1 1 1 14 30 2  o 163.251 2.0608 267.300  4.7464  165.157 3.0155 161.346 2.8097 3.811752       4.121637 
1 1 1 14 30 4  o 178.425 2.0754 319.453  5.2287  179.794 3.0186 177.055 2.8489 2.739563       4.150714 
1 1 1 14 30 6  o 209.531 2.1771 441.017  6.4464  208.720 3.1509 210.341 3.0052 -1.620728      4.354255 
1 1 1 14 30 8  o 133.986 1.9394 180.269  3.6689  132.783 2.8371 135.190 2.6449 -2.407928      3.878731 
1 1 1 14 30 10 o 46.461  4.4260 21.991   2.8964  43.287  6.3428 49.635  6.1747 -6.348476      8.852009 
1 1 1 14 30 12 o 62.202  3.0800 39.034   2.6072  62.891  4.9748 61.514  3.6330 1.377411       6.160083 
1 1 1 14 30 14 f 22.689  5.7242 4.0553   2.4917  19.890  8.6387 25.487  7.5128 -5.596825      11.44850 
1 1 1 14 30 16 o 89.126  2.8478 80.331   3.5346  89.965  4.4003 88.286  3.6161 1.678864       5.695511 
1 1 1 14 30 18 o 146.107 1.9703 214.940  3.9212  146.305 3.1859 145.909 2.3193 0.3956146      3.940672 
1 1 1 14 30 20 o 87.294  2.8871 77.651   3.1293  86.944  5.0673 87.644  2.7684 -0.7002335     5.774156 
1 1 1 14 30 22 o 28.002  5.6895 7.8374   1.9853  32.519  9.6889 23.485  5.9672 9.033907       11.37906 
1 1 1 14 30 24 o 36.215  4.8478 14.925   2.2321  32.852  8.4921 39.579  4.6785 -6.726711      9.695520 
1 1 1 14 30 26 o 24.913  6.1546 6.5614   2.2925  28.623  10.215 21.203  6.8680 7.419918       12.30926 
1 1 1 14 30 28 o 17.623  5.4306 0.9763   2.3083  19.522  8.6000 15.724  6.6338 3.797632       10.86127 
1 1 1 14 30 30 o 55.223  3.7288 33.025   2.8880  55.444  5.6430 55.002  4.8757 0.4420509      7.457602 
1 1 1 14 30 32 o 53.822  3.0696 30.954   2.3196  53.746  4.6332 53.897  4.0279 -0.1507225     6.139266 
1 1 1 14 30 34 o 29.491  5.0926 11.122   2.0897  29.814  7.6679 29.168  6.7038 0.6460514      10.18512 
1 1 1 14 30 36 o 15.602  5.1170 -0.3108  2.5386  17.299  7.9636 13.906  6.4278 3.392477       10.23407 
1 1 1 14 31 1  o 177.141 1.9498 315.093  4.8827  176.111 2.7192 178.171 2.7952 -2.060394      3.899666 
1 1 1 14 31 3  o 188.379 2.0983 356.643  5.5780  188.933 3.0754 187.825 2.8555 1.107315       4.196676 
1 1 1 14 31 5  o 128.678 2.1421 166.330  3.8781  130.141 3.1891 127.214 2.8609 2.926926       4.284253 
1 1 1 14 31 7  o 41.343  4.5889 17.525   2.6574  40.226  6.0317 42.460  6.9173 -2.234680      9.177750 
1 1 1 14 31 9  o 34.223  5.2228 12.664   2.4578  36.639  6.8758 31.807  7.8635 4.832344       10.44558 
1 1 1 14 31 11 o 73.741  3.1204 54.352   2.8894  75.474  5.4144 72.007  3.1035 3.466812       6.240764 
1 1 1 14 31 13 o 73.866  3.0744 55.920   3.0231  72.052  5.1398 75.679  3.3748 -3.627403      6.148722 
1 1 1 14 31 15 o 117.841 2.0128 139.756  3.3372  119.484 2.9925 116.198 2.6925 3.286140       4.025546 
1 1 1 14 31 17 f 86.161  2.7367 75.803   2.9422  85.217  4.7953 87.105  2.6389 -1.888489      5.473484 
1 1 1 14 31 19 o 70.093  2.7953 50.666   2.6682  67.273  4.5558 72.912  3.2402 -5.638428      5.590511 
1 1 1 14 31 21 o 31.125  5.6567 10.837   2.3083  32.655  9.4394 29.596  6.2361 3.059397       11.31335 
1 1 1 14 31 23 o 28.624  5.5291 9.6870   2.4081  24.168  8.8701 33.080  6.6034 -8.911617      11.05817 
1 1 1 14 31 25 o 29.091  5.6742 9.4532   2.1844  32.189  9.3600 25.993  6.4169 6.195972       11.34839 
1 1 1 14 31 27 o 17.838  5.3079 1.5545   2.2714  17.562  7.9170 18.114  7.0722 -0.5520573     10.61581 
1 1 1 14 31 29 f 16.596  5.4102 -0.8513  2.4689  19.995  8.9566 13.198  6.0712 6.797073       10.82037 
1 1 1 14 31 31 o 20.388  5.9497 4.0089   2.5798  21.723  9.3675 19.052  7.3380 2.670834       11.89939 
1 1 1 14 31 33 o 17.961  5.5349 2.3485   2.5618  19.733  8.4691 16.190  7.1284 3.543179       11.06974 
1 1 1 14 32 0  o 70.316  3.9303 50.186   5.4911  70.316  3.9303 ?       ?      0.000000       0.000000 
1 1 1 14 32 2  o 74.081  3.1696 55.530   3.3006  72.314  4.2382 75.849  4.7141 -3.534866      6.339212 
1 1 1 14 32 4  o 37.431  5.6577 15.260   2.8964  35.788  8.6477 39.074  7.2976 -3.286163      11.31538 
1 1 1 14 32 6  o 57.029  6.3575 33.312   3.8310  59.229  11.737 54.829  4.8910 4.399548       12.71495 
1 1 1 14 32 8  o 54.681  3.8546 30.913   2.9024  52.836  6.1632 56.527  4.6312 -3.691719      7.709270 
1 1 1 14 32 10 o 35.004  4.8152 13.574   2.2303  29.890  8.2705 40.118  4.9338 -10.22810      9.630404 
1 1 1 14 32 12 o 58.110  2.9520 34.338   2.4196  59.316  4.3058 56.903  4.0395 2.412769       5.904027 
1 1 1 14 32 14 o 74.452  2.3317 56.471   2.3994  72.551  3.6963 76.354  2.8432 -3.803505      4.663355 
1 1 1 14 32 16 o 101.614 2.2134 104.858  3.0453  100.590 3.6181 102.638 2.5506 -2.047661      4.426770 
1 1 1 14 32 18 o 82.557  2.5815 70.429   2.9412  79.156  4.1139 85.957  3.1198 -6.801254      5.163054 
1 1 1 14 32 20 o 37.402  5.1714 15.937   2.3242  35.025  9.3154 39.779  4.4943 -4.754589      10.34287 
1 1 1 14 32 22 o 31.217  5.7414 11.266   2.4973  35.832  8.6411 26.602  7.5622 9.229923       11.48277 
1 1 1 14 32 24 o 22.260  6.0658 4.9477   2.3164  24.804  10.007 19.716  6.8586 5.087763       12.13163 
1 1 1 14 32 26 o 16.277  5.2744 -0.5754  2.2309  19.069  8.6969 13.484  5.9701 5.585270       10.54887 
1 1 1 14 32 28 o 17.631  5.6455 0.7173   2.4019  20.386  9.3438 14.876  6.3389 5.510201       11.29104 
1 1 1 14 32 30 o 22.218  5.8622 6.2181   2.2921  24.258  9.3241 20.178  7.1079 4.079576       11.72441 
1 1 1 14 32 32 o 18.423  5.4389 2.1663   2.6463  14.455  6.8947 22.390  8.4137 -7.934612      10.87785 
1 1 1 14 33 1  o 50.047  4.5119 26.020   3.1874  47.768  6.4161 52.326  6.3452 -4.558384      9.023728 
1 1 1 14 33 3  o 46.802  4.0991 22.624   2.7103  48.042  5.8479 45.562  5.7457 2.479527       8.198253 
1 1 1 14 33 5  o 53.962  3.9332 30.074   3.0010  54.613  5.4950 53.312  5.6291 1.301571       7.866487 
1 1 1 14 33 7  o 69.455  3.1209 49.004   3.0316  67.177  4.0871 71.733  4.7176 -4.556458      6.241776 
1 1 1 14 33 9  f 28.018  5.6395 8.6262   2.5285  22.778  8.7493 33.258  7.1180 -10.47984      11.27901 
1 1 1 14 33 11 o 25.160  6.0053 6.5750   2.5397  27.645  8.8202 22.674  8.1522 4.971140       12.01058 
1 1 1 14 33 13 o 44.611  4.7825 21.739   2.5317  42.416  8.5793 46.806  4.2289 -4.389519      9.564934 
1 1 1 14 33 15 o 21.538  5.6335 4.0799   2.4099  19.196  8.3107 23.881  7.6078 -4.684969      11.26703 
1 1 1 14 33 17 o 26.088  6.4006 7.7065   2.8872  25.305  9.5718 26.872  8.5002 -1.566444      12.80125 
1 1 1 14 33 19 o 42.463  4.8021 20.595   2.5386  38.907  8.4425 46.018  4.5788 -7.110619      9.604220 
1 1 1 14 33 21 o 50.140  4.3181 26.727   2.9318  53.884  6.8728 46.396  5.2296 7.487442       8.636213 
1 1 1 14 33 23 o 23.279  5.5267 5.9809   2.2275  20.840  8.9702 25.719  6.4585 -4.878828      11.05341 
1 1 1 14 33 25 o 29.141  6.2301 11.061   2.7545  27.191  10.218 31.091  7.1305 -3.900028      12.46025 
1 1 1 14 33 27 o 37.147  5.9044 18.704   2.6462  30.490  10.969 43.803  4.3730 -13.31304      11.80889 
1 1 1 14 33 29 o 34.698  6.0821 18.185   3.1763  26.079  10.798 43.317  5.6013 -17.23814      12.16420 
1 1 1 14 33 31 o 20.946  5.7276 5.7766   2.4789  19.641  8.7619 22.252  7.3790 -2.611012      11.45518 
1 1 1 14 34 0  o 52.887  4.6563 28.988   4.8526  52.887  4.6563 ?       ?      0.000000       0.000000 
1 1 1 14 34 2  o 63.884  2.8973 41.659   2.6163  62.768  4.0690 65.000  4.1257 -2.232403      5.794649 
1 1 1 14 34 4  o 95.032  2.4261 91.753   3.2564  92.244  3.5302 97.820  3.3289 -5.576637      4.852216 
1 1 1 14 34 6  o 57.423  2.9545 34.018   2.3349  55.336  4.7309 59.510  3.5407 -4.174271      5.909089 
1 1 1 14 34 8  o 33.472  5.8847 12.808   2.7595  33.685  8.8094 33.260  7.8048 0.4248238      11.76943 
1 1 1 14 34 10 o 39.952  4.6022 17.435   2.5185  44.193  5.9237 35.712  7.0449 8.480801       9.204447 
1 1 1 14 34 12 o 62.600  3.4043 41.281   2.8483  60.796  5.6713 64.404  3.7674 -3.607803      6.808597 
1 1 1 14 34 14 o 47.093  3.9640 24.048   2.5141  43.677  6.5784 50.508  4.4246 -6.830326      7.927931 
1 1 1 14 34 16 f 72.357  3.1677 55.718   2.9516  68.900  5.4676 75.815  3.2003 -6.915161      6.335357 
1 1 1 14 34 18 o 80.463  2.9222 68.483   3.1533  76.102  4.8663 84.825  3.2367 -8.722862      5.844405 
1 1 1 14 34 20 o 58.406  3.4152 36.187   2.5971  58.309  5.8037 58.503  3.6016 -0.1935997     6.830412 
1 1 1 14 34 22 f 18.254  5.4866 2.0197   2.2230  21.160  8.8435 15.347  6.4963 5.813847       10.97311 
1 1 1 14 34 24 o 25.778  6.5668 8.7355   2.9571  27.955  10.112 23.601  8.3811 4.354811       13.13354 
1 1 1 14 34 26 f 34.912  5.4977 16.583   2.5150  28.612  9.8909 41.212  4.8029 -12.60034      10.99533 
1 1 1 14 34 28 o 26.787  6.3143 10.724   2.7196  26.561  10.029 27.013  7.6748 -0.4519234     12.62863 
1 1 1 14 35 1  o 41.076  5.0226 18.789   2.8410  38.847  7.6694 43.306  6.4874 -4.458946      10.04516 
1 1 1 14 35 3  o 38.541  4.8195 16.465   2.5524  42.490  6.1612 34.593  7.4130 7.897308       9.639092 
1 1 1 14 35 5  o 39.434  5.5429 17.503   2.9344  44.571  8.0287 34.297  7.6444 10.27402       11.08589 
1 1 1 14 35 7  o 72.732  2.6476 54.390   2.6952  72.651  4.0428 72.813  3.4199 -0.1619186     5.295263 
1 1 1 14 35 9  o 52.308  3.9464 28.252   2.8247  58.337  6.0199 46.280  5.1048 12.05700       7.892869 
1 1 1 14 35 11 o 22.042  6.0812 4.6017   2.6505  23.156  9.2738 20.928  7.8691 2.228157       12.16249 
1 1 1 14 35 13 o 42.987  4.6417 20.428   2.6502  42.577  7.6240 43.397  5.2967 -0.8199921     9.283356 
1 1 1 14 35 15 o 18.563  5.6888 1.3313   2.5834  19.955  8.8426 17.172  7.1596 2.783422       11.37764 
1 1 1 14 35 17 o 20.942  6.1803 2.8068   3.0411  24.892  9.7352 16.993  7.6165 7.898870       12.36067 
1 1 1 14 35 19 o 50.074  3.8203 27.620   2.6186  47.489  6.1849 52.660  4.4863 -5.171329      7.640661 
1 1 1 14 35 21 o 37.240  5.3078 16.416   2.5480  38.171  9.0012 36.309  5.6273 1.862679       10.61551 
1 1 1 14 35 23 o 22.217  5.9348 5.3775   2.4621  28.029  9.6196 16.405  6.9534 11.62446       11.86958 
1 1 1 14 35 25 o 27.651  5.6460 10.710   2.4094  23.688  9.5195 31.615  6.0737 -7.926537      11.29205 
1 1 1 14 35 27 f 22.651  6.0663 7.4614   2.5297  24.315  9.4749 20.986  7.5778 3.328566       12.13251 
1 1 1 14 36 0  o 35.331  9.6326 15.963   5.8742  35.331  9.6326 ?       ?      0.000000       0.000000 
1 1 1 14 36 2  o 51.501  3.8294 28.350   2.7595  51.218  5.8593 51.784  4.9320 -0.5666733     7.658712 
1 1 1 14 36 4  o 46.101  4.8497 23.378   3.1061  47.991  7.4506 44.210  6.2102 3.780518       9.699409 
1 1 1 14 36 6  o 19.308  5.7447 2.0326   2.6072  20.073  8.6323 18.543  7.5823 1.530224       11.48946 
1 1 1 14 36 8  o 24.584  5.5045 6.6490   2.3837  19.443  8.0491 29.726  7.5107 -10.28372      11.00898 
1 1 1 14 36 10 f 45.643  4.0594 22.046   2.4917  48.817  6.5398 42.469  4.8110 6.347389       8.118799 
1 1 1 14 36 12 o 65.984  3.5187 46.495   3.1103  65.846  5.8182 66.121  3.9592 -0.2755127     7.037484 
1 1 1 14 36 14 o 42.550  4.9267 20.611   2.8037  43.341  7.9580 41.759  5.8103 1.582069       9.853357 
1 1 1 14 36 16 o 22.514  6.0928 5.7525   2.6682  23.280  9.0967 21.748  8.1079 1.532169       12.18557 
1 1 1 14 36 18 o 34.597  6.2226 15.203   2.9039  38.215  9.8091 30.980  7.6592 7.235052       12.44519 
1 1 1 14 36 20 o 56.538  3.3797 33.689   2.5781  62.031  5.3525 51.044  4.1279 10.98696       6.759364 
1 1 1 14 36 22 o 63.459  3.5227 44.553   2.9516  63.805  5.9042 63.114  3.8443 0.6909599      7.045465 
1 1 1 14 36 24 o 20.369  5.8589 5.3169   2.5480  21.036  9.0097 19.702  7.4922 1.333614       11.71781 
1 1 1 14 37 1  o 43.939  4.1652 21.269   2.5855  43.230  6.0557 44.647  5.7204 -1.417488      8.330353 
1 1 1 14 37 3  f 88.422  2.7070 81.543   3.3829  88.170  3.9106 88.674  3.7443 -0.5040817     5.414089 
1 1 1 14 37 5  o 87.619  2.8346 80.317   3.5106  89.768  3.9832 85.471  4.0340 4.297112       5.669148 
1 1 1 14 37 7  o 46.381  5.3700 25.958   2.9900  40.871  9.6688 51.890  4.6759 -11.01888      10.74004 
1 1 1 14 37 9  o 26.334  6.3154 8.2405   3.1550  21.573  9.4166 31.096  8.4181 -9.522877      12.63080 
1 1 1 14 37 11 o 20.462  6.0340 3.4054   2.7314  23.238  9.5040 17.686  7.4370 5.551685       12.06795 
1 1 1 14 37 13 o 23.708  5.3030 5.9312   2.5386  17.091  7.9044 30.325  7.0717 -13.23407      10.60607 
1 1 1 14 37 15 f 21.784  6.2656 4.9548   2.9922  24.384  9.5525 19.184  8.1105 5.200668       12.53117 
1 1 1 14 37 17 o 19.802  5.8792 3.4202   2.8483  18.809  8.5230 20.795  8.1004 -1.986652      11.75835 
1 1 1 14 37 19 o 18.172  5.7545 1.6236   2.9410  18.823  8.7154 17.520  7.5166 1.303492       11.50904 
1 1 1 14 37 21 o 17.824  5.4166 2.5651   2.5193  17.073  7.8014 18.574  7.5166 -1.500692      10.83330 
1 1 1 14 38 0  o 71.590  4.2224 53.251   6.0019  71.590  4.2224 ?       ?      0.000000       0.000000 
1 1 1 14 38 2  o 80.689  2.7425 68.027   2.9318  80.764  4.5854 80.613  3.0098 0.1507645      5.484930 
1 1 1 14 38 4  o 60.231  4.0556 40.835   3.2416  56.004  6.8407 64.458  4.3586 -8.453983      8.111227 
1 1 1 14 38 6  o 39.641  5.3719 19.192   2.8768  36.480  8.8330 42.803  6.1161 -6.322971      10.74380 
1 1 1 14 38 8  o 19.423  5.9139 2.4874   2.9149  20.492  8.7631 18.355  7.9438 2.137678       11.82772 
1 1 1 14 38 10 o 17.787  5.4850 1.3243   2.5383  19.825  8.4392 15.749  7.0085 4.076878       10.96994 
1 1 1 14 38 12 o 27.457  6.1880 10.333   2.9984  22.704  9.6066 32.209  7.8024 -9.504900      12.37595 
1 1 1 14 38 14 o 24.679  5.8794 8.0943   2.4312  29.347  8.9652 20.012  7.6088 9.335003       11.75876 
1 1 1 14 38 16 o 23.709  6.5975 8.2200   3.1516  24.423  10.057 22.995  8.5425 1.427446       13.19504 
1 1 1 14 38 18 o 22.410  6.0889 6.9849   2.6728  26.292  9.4744 18.527  7.6510 7.764833       12.17789 
1 1 1 14 39 1  o 38.371  6.3277 19.794   3.3841  41.406  8.4653 35.336  9.4074 6.070389       12.65544 
1 1 1 14 39 3  o 32.063  6.3276 13.713   2.9140  36.399  9.5345 27.727  8.3215 8.671864       12.65521 
1 1 1 14 39 5  o 18.782  5.8672 0.9520   3.1448  22.230  9.2379 15.333  7.2358 6.897120       11.73436 
1 1 1 14 39 7  f 15.491  5.2643 -4.9903  3.2632  17.740  8.2663 13.242  6.5209 4.498413       10.52868 
1 1 1 14 39 9  o 30.683  6.7285 13.458   3.1434  37.868  10.454 23.497  8.4735 14.37067       13.45703 
1 1 1 14 39 11 o 28.015  6.0739 11.337   2.6682  26.161  9.2973 29.868  7.8185 -3.707241      12.14774 
1 1 1 14 39 13 o 16.674  5.5615 -2.9540  3.3250  20.675  9.1894 12.672  6.2669 8.002735       11.12291 
1 1 1 14 39 15 f 18.306  5.8573 2.4902   2.8733  21.465  9.4940 15.147  6.8628 6.318572       11.71466 
1 1 1 14 40 0  o 10.677  7.6588 -6.1296  6.8958  10.677  7.6588 ?       ?      0.000000       0.000000 
1 1 1 14 40 2  o 26.077  6.6788 10.729   3.2090  27.443  9.2361 24.711  9.6500 2.732645       13.35768 
1 1 1 14 40 4  o 27.416  6.3890 11.634   3.1606  22.427  9.3707 32.405  8.6871 -9.978788      12.77799 
1 1 1 14 40 6  o 21.297  6.2995 6.1081   3.1331  21.540  9.3701 21.053  8.4225 0.4867382      12.59906 
1 1 1 14 40 8  o 19.880  5.9800 4.7139   2.9522  19.449  8.5420 20.311  8.3713 -0.8616657     11.96008 
1 1 1 15 1  0  o 1033.67 8.6369 10691.50 178.526 1033.67 8.6369 ?       ?      0.000000       0.000000 
1 1 1 15 1  2  f 484.734 3.1157 2349.67  21.347  481.990 4.3319 487.478 4.4796 -5.487976      6.231480 
1 1 1 15 1  4  o 883.719 5.2572 7814.54  65.700  884.261 7.4735 883.176 7.3959 1.084412       10.51441 
1 1 1 15 1  6  o 1094.90 6.3049 11999.48 97.626  1091.35 8.9163 1098.46 8.9167 -7.113525      12.60986 
1 1 1 15 1  8  f 719.171 4.5029 5175.96  45.770  714.873 6.5023 723.470 6.2309 -8.597046      9.005751 
1 1 1 15 1  10 o 421.128 2.8604 1774.30  16.984  420.176 4.2245 422.080 3.8575 -1.904633      5.720764 
1 1 1 15 1  12 o 688.657 4.3121 4744.96  41.937  690.806 6.2759 686.508 5.9153 4.297607       8.624252 
1 1 1 15 1  14 o 155.338 1.5259 241.209  3.3494  156.982 2.1964 153.695 2.1187 3.287308       3.051738 
1 1 1 15 1  16 o 310.085 2.2313 961.440  9.5372  309.604 2.7223 310.566 3.5362 -0.9619751     4.462692 
1 1 1 15 1  18 o 390.245 2.7409 1524.86  14.685  391.265 3.2964 389.224 4.3800 2.040527       5.481878 
1 1 1 15 1  20 o 351.998 2.4625 1240.80  11.994  353.247 3.0367 350.749 3.8775 2.498047       4.925032 
1 1 1 15 1  22 o 104.416 1.3910 109.152  2.0253  104.908 1.7650 103.925 2.1504 0.9831467      2.781988 
1 1 1 15 1  24 o 87.586  1.5516 76.825   1.9070  88.245  2.0260 86.928  2.3505 1.316772       3.103104 
1 1 1 15 1  26 o 76.569  1.7354 57.918   1.8571  82.860  2.5429 70.279  2.3622 12.58035       3.470784 
1 1 1 15 1  28 o 76.648  1.9693 58.489   1.9332  75.873  2.0197 77.422  3.3813 -1.549675      3.938567 
1 1 1 15 1  30 o 39.785  2.6074 16.076   1.4189  37.771  4.2262 41.799  3.0551 -4.028515      5.214786 
1 1 1 15 1  32 o 204.713 2.0715 417.126  5.4569  202.181 2.1475 207.246 3.5430 -5.065598      4.143048 
1 1 1 15 1  34 o 92.633  1.6893 85.192   2.0507  90.935  1.8256 94.331  2.8429 -3.395744      3.378584 
1 1 1 15 1  36 o 169.010 1.9615 284.886  4.1737  167.504 1.9441 170.517 3.4075 -3.012619      3.923080 
1 1 1 15 1  38 o 107.828 1.6895 117.874  2.4732  111.715 1.9433 103.941 2.7643 7.773895       3.379031 
1 1 1 15 1  40 o 33.408  4.4618 13.008   1.8112  40.755  3.6033 26.060  8.1638 14.69583       8.923622 
1 1 1 15 1  42 o 62.051  2.2054 39.382   1.8398  64.749  2.4653 59.353  3.6576 5.396099       4.410879 
1 1 1 15 1  44 o 89.464  1.9086 80.855   2.3599  89.953  2.3424 88.975  3.0140 0.9779968      3.817198 
1 1 1 15 1  46 o 25.126  5.2141 7.1224   1.9279  24.277  6.6463 25.975  8.0358 -1.698132      10.42823 
1 1 1 15 1  48 o 23.649  5.2501 6.0368   2.0587  17.160  6.8719 30.139  7.9392 -12.97949      10.50018 
1 1 1 15 1  50 o 51.298  3.2379 28.329   2.3091  52.098  4.0444 50.499  5.0576 1.598911       6.475848 
1 1 1 15 1  52 o 24.140  5.4654 7.8229   2.4121  28.795  6.7605 19.484  8.5895 9.311049       10.93087 
1 1 1 15 2  1  o 394.562 2.7067 1557.15  15.097  395.356 3.7630 393.768 3.8917 1.587830       5.413414 
1 1 1 15 2  3  o 1036.84 6.1376 10759.43 89.994  1032.67 8.6624 1041.01 8.6973 -8.339600      12.27521 
1 1 1 15 2  5  o 826.656 5.0931 6834.97  59.492  833.767 7.3441 819.545 7.0586 14.22180       10.18625 
1 1 1 15 2  7  o 124.614 1.4186 154.603  2.4492  126.944 2.2131 122.283 1.7753 4.661110       2.837185 
1 1 1 15 2  9  o 959.053 5.6423 9206.02  76.514  960.966 8.0597 957.140 7.8984 3.826416       11.28464 
1 1 1 15 2  11 f 106.220 1.3599 112.736  2.0412  108.505 1.9419 103.937 1.9044 4.568001       2.719884 
1 1 1 15 2  13 o 335.775 2.3951 1127.91  11.258  336.124 3.0964 335.426 3.6548 0.6980896      4.790134 
1 1 1 15 2  15 o 150.374 1.7567 226.162  3.7350  152.730 2.4666 148.018 2.5019 4.712677       3.513349 
1 1 1 15 2  17 o 339.776 2.3702 1158.32  11.294  346.943 3.0734 332.608 3.6090 14.33508       4.740353 
1 1 1 15 2  19 o 298.525 2.1403 893.813  8.8882  302.268 2.6827 294.781 3.3357 7.487732       4.280631 
1 1 1 15 2  21 f 164.399 1.5419 270.343  3.5574  164.402 2.0196 164.396 2.3304 0.6179810E-02  3.083708 
1 1 1 15 2  23 o 285.944 2.1925 818.773  8.8100  287.463 2.8875 284.424 3.3000 3.039429       4.384955 
1 1 1 15 2  25 o 198.002 1.8043 392.560  4.9389  198.565 2.2188 197.439 2.8459 1.126160       3.608580 
1 1 1 15 2  27 o 228.766 2.0051 523.751  6.4681  228.704 2.7081 228.827 2.9578 -0.1230469     4.010236 
1 1 1 15 2  29 o 74.289  1.6729 55.199   1.7507  73.905  2.2463 74.673  2.4797 -0.7675705     3.345846 
1 1 1 15 2  31 o 109.077 1.5112 119.098  2.3301  109.635 2.0966 108.520 2.1770 1.114693       3.022427 
1 1 1 15 2  33 o 64.081  1.6956 40.620   1.4898  61.453  2.0780 66.708  2.6800 -5.255180      3.391276 
1 1 1 15 2  35 o 29.287  3.9724 9.1215   1.5324  32.481  4.1282 26.093  6.7881 6.387413       7.944826 
1 1 1 15 2  37 o 150.497 1.7409 226.084  3.4782  149.042 1.9278 151.952 2.8994 -2.910492      3.481810 
1 1 1 15 2  39 o 51.591  2.3636 26.742   1.7216  51.291  3.2367 51.890  3.4454 -0.5992355     4.727216 
1 1 1 15 2  41 o 28.337  4.5912 8.7277   1.7966  32.090  4.7754 24.584  7.8430 7.505564       9.182406 
1 1 1 15 2  43 o 36.544  3.5095 14.386   1.6208  40.487  3.4695 32.600  6.1017 7.886967       7.019098 
1 1 1 15 2  45 o 56.966  2.4423 33.234   1.9218  57.830  2.9811 56.103  3.8695 1.727146       4.884676 
1 1 1 15 2  47 o 30.553  4.7812 10.364   1.9933  24.765  6.7697 36.340  6.7536 -11.57454      9.562464 
1 1 1 15 2  49 o 15.126  4.8565 -1.0398  2.1892  13.995  6.3465 16.257  7.3528 -2.262855      9.713021 
1 1 1 15 2  51 o 31.644  4.2702 11.828   1.8429  34.060  5.0616 29.228  6.8788 4.831560       8.540324 
1 1 1 15 3  0  o 632.148 5.4350 3997.68  68.703  632.148 5.4350 ?       ?      0.000000       0.000000 
1 1 1 15 3  2  o 356.568 2.4127 1271.52  12.157  356.916 3.4884 356.220 3.3339 0.6960754      4.825398 
1 1 1 15 3  4  o 466.218 3.1571 2173.74  20.808  468.716 4.5226 463.721 4.4061 4.994781       6.314135 
1 1 1 15 3  6  o 252.637 1.8967 638.412  6.7531  252.219 2.8100 253.055 2.5484 -0.8361664     3.793501 
1 1 1 15 3  8  o 456.206 3.0695 2079.96  19.741  460.475 4.5204 451.936 4.1537 8.539063       6.138974 
1 1 1 15 3  10 o 358.039 2.7448 1284.66  13.826  364.196 3.6291 351.882 4.1190 12.31348       5.489682 
1 1 1 15 3  12 o 312.138 2.6699 978.374  11.678  320.704 3.4443 303.573 4.0804 17.13168       5.339770 
1 1 1 15 3  14 o 90.924  1.4082 82.424   1.7308  90.118  1.6296 91.729  2.2970 -1.611740      2.816384 
1 1 1 15 3  16 o 400.675 2.7525 1606.14  15.351  400.600 3.4746 400.750 4.2700 -0.1497498     5.505067 
1 1 1 15 3  18 o 130.661 2.1253 170.338  3.8101  129.471 2.5645 131.852 3.3898 -2.380753      4.250566 
1 1 1 15 3  20 o 127.034 1.3719 160.694  2.4247  124.398 1.7451 129.670 2.1173 -5.271858      2.743840 
1 1 1 15 3  22 o 325.083 2.5633 1055.33  11.048  323.373 2.8236 326.793 4.2789 -3.420776      5.126565 
1 1 1 15 3  24 o 129.739 1.7425 171.659  3.0227  136.663 1.9156 122.815 2.9114 13.84866       3.485059 
1 1 1 15 3  26 o 311.432 2.2933 969.599  9.8452  309.826 2.8028 313.038 3.6307 -3.212311      4.586632 
1 1 1 15 3  28 o 169.579 1.6349 288.270  3.8572  171.077 2.0527 168.082 2.5452 2.995255       3.269819 
1 1 1 15 3  30 o 22.041  4.3079 4.9890   1.4018  19.618  6.1512 24.465  6.0328 -4.846064      8.615844 
1 1 1 15 3  32 o 102.199 1.6402 104.760  2.3556  103.767 2.1536 100.631 2.4746 3.136139       3.280490 
1 1 1 15 3  34 o 14.326  4.4172 -0.3610  1.5398  12.598  5.3950 16.054  6.9958 -3.456165      8.834449 
1 1 1 15 3  36 f 75.361  2.1317 56.105   1.9988  73.440  2.0866 77.283  3.7179 -3.843025      4.263387 
1 1 1 15 3  38 o 68.843  2.3115 47.793   1.9289  69.312  2.1188 68.374  4.1089 0.9377975      4.622985 
1 1 1 15 3  40 o 36.832  3.0828 13.615   1.5554  35.944  3.7305 37.720  4.9090 -1.776299      6.165586 
1 1 1 15 3  42 o 41.147  3.2489 17.636   1.7744  43.820  3.4970 38.474  5.4765 5.346085       6.497817 
1 1 1 15 3  44 o 46.238  3.4334 21.876   2.0987  45.769  3.7667 46.708  5.7415 -0.9385910     6.866776 
1 1 1 15 3  46 o 40.848  3.4704 17.931   1.8623  43.893  3.6367 37.802  5.9117 6.090797       6.940728 
1 1 1 15 3  48 o 58.419  2.9709 35.140   2.1140  57.194  2.7909 59.644  5.2456 -2.449142      5.941873 
1 1 1 15 3  50 o 18.834  5.2361 3.4799   1.9714  17.596  6.7352 20.072  8.0189 -2.475679      10.47219 
1 1 1 15 3  52 o 11.076  3.8463 -6.0982  2.0354  10.550  5.1504 11.602  5.7140 -1.051805      7.692592 
1 1 1 15 4  1  o 914.328 7.4698 8374.12  94.415  915.880 9.1884 912.777 11.780 3.103271       14.93965 
1 1 1 15 4  3  o 237.891 1.8789 565.665  6.3154  240.454 2.7085 235.328 2.6047 5.125244       3.757750 
1 1 1 15 4  5  o 398.573 2.5429 1588.21  14.326  394.322 3.5462 402.825 3.6457 -8.503326      5.085861 
1 1 1 15 4  7  o 156.191 1.4646 243.808  3.1988  155.598 1.8876 156.782 2.2399 -1.183884      2.929216 
1 1 1 15 4  9  o 370.839 2.6318 1375.11  13.571  370.323 3.3104 371.355 4.0922 -1.032349      5.263525 
1 1 1 15 4  11 o 357.170 2.4865 1274.04  12.194  355.225 3.0018 359.116 3.9649 -3.890747      4.973049 
1 1 1 15 4  13 o 254.106 2.4128 644.607  8.3884  252.433 2.8835 255.779 3.8693 -3.345398      4.825565 
1 1 1 15 4  15 o 487.682 3.2182 2381.24  21.814  488.960 4.0351 486.403 5.0145 2.556610       6.436398 
1 1 1 15 4  17 o 391.427 2.6787 1534.36  14.523  392.975 3.3146 389.878 4.2089 3.097504       5.357357 
1 1 1 15 4  19 o 62.445  1.4821 38.793   1.3019  57.947  2.0936 66.943  2.0984 -8.996159      2.964153 
1 1 1 15 4  21 o 241.446 1.8807 583.027  6.3078  241.114 2.3569 241.779 2.9314 -0.6654358     3.761328 
1 1 1 15 4  23 o 94.843  1.6070 90.506   2.1347  98.951  2.0649 90.735  2.4630 8.216690       3.214010 
1 1 1 15 4  25 o 90.735  1.5005 82.380   1.8964  90.810  1.8984 90.661  2.3241 0.1490097      3.000926 
1 1 1 15 4  27 o 56.639  2.0298 32.290   1.5554  57.605  2.3277 55.674  3.3259 1.931442       4.059535 
1 1 1 15 4  29 o 170.016 1.7818 289.543  4.1767  170.579 2.1710 169.454 2.8260 1.125763       3.563670 
1 1 1 15 4  31 o 189.379 1.8769 358.020  4.9535  186.474 2.3969 192.285 2.8889 -5.810715      3.753794 
1 1 1 15 4  33 o 26.401  3.9688 7.3300   1.4303  27.871  4.9916 24.932  6.1715 2.938965       7.937530 
1 1 1 15 4  35 o 61.054  1.8641 37.391   1.5733  61.330  2.2904 60.777  2.9416 0.5524406      3.728115 
1 1 1 15 4  37 o 41.924  4.0293 18.869   1.9136  45.246  3.2457 38.603  7.3762 6.643147       8.058681 
1 1 1 15 4  39 f 33.058  4.6494 12.114   1.9454  38.000  4.2007 28.116  8.2958 9.883608       9.298718 
1 1 1 15 4  41 o 54.344  2.6903 30.372   1.8784  56.461  2.7141 52.226  4.6458 4.235947       5.380529 
1 1 1 15 4  43 o 44.438  2.8799 20.140   1.7513  44.769  3.4230 44.108  4.6323 0.6604347      5.759739 
1 1 1 15 4  45 o 24.099  5.1425 6.2510   1.7431  22.292  5.9157 25.906  8.4134 -3.614325      10.28496 
1 1 1 15 4  47 o 49.498  2.9811 25.238   2.0157  48.030  3.5893 50.966  4.7607 -2.935127      5.962158 
1 1 1 15 4  49 o 22.786  5.7007 5.9124   2.1991  23.021  6.7675 22.552  9.1757 0.4695511      11.40138 
1 1 1 15 4  51 o 42.260  3.9478 20.980   2.1409  47.361  4.0445 37.159  6.7810 10.20120       7.895619 
1 1 1 15 5  0  o 668.316 6.6797 4469.02  89.263  668.316 6.6797 ?       ?      0.000000       0.000000 
1 1 1 15 5  2  f 227.275 2.0325 519.134  6.4454  233.640 2.5689 220.910 3.1505 12.72989       4.065046 
1 1 1 15 5  4  o 483.471 3.4548 2341.15  23.308  486.806 4.3939 480.136 5.3327 6.669220       6.909693 
1 1 1 15 5  6  o 397.704 2.7466 1582.61  14.895  398.190 3.2391 397.218 4.4365 0.9726563      5.493146 
1 1 1 15 5  8  o 464.911 3.0638 2151.63  19.673  456.100 3.7938 473.723 4.8118 -17.62305      6.127506 
1 1 1 15 5  10 o 299.900 2.2430 897.358  9.2773  297.076 2.7511 302.724 3.5435 -5.647888      4.486047 
1 1 1 15 5  12 o 297.837 2.1611 887.906  8.9120  298.766 2.6714 296.907 3.3978 1.858398       4.322231 
1 1 1 15 5  14 o 560.333 3.6534 3136.10  27.992  556.672 4.3586 563.994 5.8643 -7.321045      7.306710 
1 1 1 15 5  16 o 197.056 1.7004 388.939  4.6146  198.115 2.0627 195.998 2.7039 2.116318       3.400826 
1 1 1 15 5  18 o 256.002 1.9975 652.916  7.0287  252.249 2.4300 259.755 3.1710 -7.505997      3.994979 
1 1 1 15 5  20 o 152.718 2.0206 232.250  4.1621  150.745 2.3296 154.692 3.3021 -3.947189      4.041135 
1 1 1 15 5  22 o 102.996 1.3169 106.192  1.9134  104.051 1.7796 101.941 1.9417 2.109489       2.633816 
1 1 1 15 5  24 o 184.960 1.6997 341.308  4.2039  183.615 1.9126 186.304 2.8103 -2.689407      3.399387 
1 1 1 15 5  26 o 319.326 2.4408 1023.61  10.769  322.819 2.9866 315.833 3.8614 6.986542       4.881605 
1 1 1 15 5  28 o 136.806 1.5566 187.257  2.9792  136.743 2.0078 136.869 2.3792 -0.1257935     3.113194 
1 1 1 15 5  30 o 77.378  2.1886 60.656   2.2566  79.709  2.4031 75.047  3.6585 4.661804       4.377144 
1 1 1 15 5  32 o 112.851 1.6673 127.590  2.6309  113.287 2.1417 112.416 2.5559 0.8713989      3.334644 
1 1 1 15 5  34 o 19.375  4.6569 3.3611   1.5733  21.171  6.2257 17.580  6.9272 3.590998       9.313702 
1 1 1 15 5  36 o 64.911  2.2117 42.796   1.9279  67.160  2.4719 62.662  3.6683 4.498089       4.423396 
1 1 1 15 5  38 o 14.279  4.3501 -0.2094  1.5733  13.822  5.8581 14.736  6.4325 -0.9143534     8.700263 
1 1 1 15 5  40 o 21.458  5.1301 4.2560   1.7108  18.235  6.1737 24.680  8.1948 -6.444887      10.26012 
1 1 1 15 5  42 o 35.015  4.8357 13.270   2.1367  37.102  4.6465 32.928  8.4820 4.174393       9.671356 
1 1 1 15 5  44 o 35.120  3.8625 13.254   1.7308  37.436  3.9229 32.805  6.6549 4.630123       7.725037 
1 1 1 15 5  46 o 16.505  4.8255 1.3868   1.7520  14.133  5.9898 18.878  7.5673 -4.745391      9.650938 
1 1 1 15 5  48 o 34.678  4.6001 13.236   2.0987  32.227  5.3494 37.130  7.4851 -4.902813      9.200202 
1 1 1 15 5  50 o 27.509  5.4823 9.0394   2.0523  24.006  6.4928 31.011  8.8355 -7.004902      10.96464 
1 1 1 15 5  52 o 17.842  5.1238 3.1227   1.9933  14.641  6.3534 21.043  8.0404 -6.401189      10.24759 
1 1 1 15 6  1  o 570.361 4.7204 3247.29  37.167  565.115 5.8075 575.607 7.4432 -10.49237      9.440798 
1 1 1 15 6  3  o 800.971 6.2207 6406.17  69.150  792.209 7.8019 809.733 9.6911 -17.52411      12.44136 
1 1 1 15 6  5  o 639.254 4.2891 4094.04  38.443  644.981 5.5735 633.527 6.5208 11.45404       8.578154 
1 1 1 15 6  7  o 353.167 2.4636 1244.97  11.831  350.946 2.8928 355.388 3.9885 -4.442413      4.927152 
1 1 1 15 6  9  o 555.288 3.5938 3080.93  27.574  552.408 4.4269 558.169 5.6624 -5.760620      7.187557 
1 1 1 15 6  11 o 394.926 2.7087 1559.55  14.938  394.073 3.4674 395.779 4.1623 -1.705841      5.417314 
1 1 1 15 6  13 o 252.405 2.5356 630.888  8.0549  247.840 2.5247 256.970 4.3980 -9.128967      5.071173 
1 1 1 15 6  15 o 216.471 1.7569 472.138  5.2227  222.405 2.0958 210.537 2.8205 11.86813       3.513859 
1 1 1 15 6  17 o 227.945 1.8138 519.218  5.7255  227.000 2.2502 228.890 2.8454 -1.889771      3.627619 
1 1 1 15 6  19 o 231.842 1.7850 537.666  5.8212  231.777 2.3691 231.906 2.6707 -0.1284790     3.570074 
1 1 1 15 6  21 o 91.617  1.5121 83.908   1.7272  91.520  1.4651 91.714  2.6455 -0.1940765     3.024111 
1 1 1 15 6  23 o 248.988 2.0519 618.783  6.9665  246.951 2.4304 251.024 3.3067 -4.072830      4.103781 
1 1 1 15 6  25 o 120.522 1.4748 145.504  2.4492  121.111 1.7925 119.932 2.3425 1.179108       2.949637 
1 1 1 15 6  27 o 122.556 1.4111 149.578  2.3658  120.689 1.6930 124.423 2.2580 -3.733727      2.822141 
1 1 1 15 6  29 o 138.877 1.6643 192.945  3.1331  138.734 1.9330 139.020 2.7098 -0.2860718     3.328594 
1 1 1 15 6  31 o 211.752 2.0065 449.217  5.9911  212.279 2.7071 211.225 2.9624 1.054596       4.012990 
1 1 1 15 6  33 o 156.574 1.6740 245.708  3.6089  157.249 2.0302 155.898 2.6622 1.351517       3.347992 
1 1 1 15 6  35 o 94.985  1.6179 90.108   2.1540  93.184  2.1241 96.785  2.4409 -3.600655      3.235766 
1 1 1 15 6  37 o 111.246 1.9737 122.808  2.8229  108.875 2.0526 113.617 3.3719 -4.741333      3.947500 
1 1 1 15 6  39 o 36.904  3.4248 13.737   1.7787  35.897  4.6247 37.910  5.0527 -2.013527      6.849663 
1 1 1 15 6  41 f 44.687  2.6789 20.725   1.5975  48.181  2.9155 41.194  4.4950 6.986668       5.357704 
1 1 1 15 6  43 o 14.935  4.6380 -1.2344  1.8729  15.148  6.0809 14.721  7.0047 0.4272184      9.275969 
1 1 1 15 6  45 o 13.513  4.3958 -1.9588  1.8181  11.621  5.4135 15.405  6.9273 -3.784029      8.791643 
1 1 1 15 6  47 o 19.285  5.0094 3.6764   1.7520  18.963  6.4610 19.607  7.6572 -0.6445656     10.01886 
1 1 1 15 6  49 o 16.705  5.3005 0.0453   2.3762  14.009  6.3501 19.401  8.4888 -5.392218      10.60108 
1 1 1 15 6  51 o 15.116  4.6470 0.9644   1.8318  14.655  6.2948 15.578  6.8376 -0.9221153     9.293905 
1 1 1 15 7  0  o 63.678  4.3529 41.120   5.4911  63.678  4.3529 ?       ?      0.000000       0.000000 
1 1 1 15 7  2  o 388.922 3.2418 1530.76  17.057  402.786 3.6936 375.057 5.3286 27.72974       6.483528 
1 1 1 15 7  4  o 297.576 3.0167 883.167  11.496  295.891 3.0858 299.261 5.1847 -3.369934      6.033483 
1 1 1 15 7  6  o 774.198 4.7444 5971.13  50.231  762.554 5.6854 785.843 7.5970 -23.28918      9.488830 
1 1 1 15 7  8  o 698.912 4.4007 4884.18  42.322  696.717 5.3429 701.107 6.9943 -4.389282      8.801476 
1 1 1 15 7  10 o 570.715 3.7306 3250.19  28.877  566.054 4.3541 575.375 6.0591 -9.321716      7.461231 
1 1 1 15 7  12 o 532.629 3.4293 2842.96  25.222  535.684 4.1956 529.575 5.4256 6.108948       6.858625 
1 1 1 15 7  14 o 96.421  2.7446 92.094   2.7669  95.347  2.0090 97.495  5.1083 -2.148094      5.489142 
1 1 1 15 7  16 o 272.085 1.9468 739.239  7.4045  269.430 2.5120 274.741 2.9748 -5.311493      3.893511 
1 1 1 15 7  18 o 134.786 1.4761 182.062  2.7155  135.643 1.7417 133.928 2.3838 1.714020       2.952244 
1 1 1 15 7  20 o 68.254  3.1592 43.494   2.0490  63.616  2.1077 72.892  5.9565 -9.276070      6.318449 
1 1 1 15 7  22 o 172.525 1.6187 298.290  3.8954  174.123 2.0535 170.927 2.5028 3.195648       3.237431 
1 1 1 15 7  24 o 96.133  1.4483 92.474   1.9050  96.205  1.7256 96.060  2.3264 0.1448746      2.896529 
1 1 1 15 7  26 o 131.969 1.4119 174.863  2.6039  134.827 1.7996 129.110 2.1760 5.717163       2.823717 
1 1 1 15 7  28 o 234.162 1.9899 547.144  6.4137  231.416 2.4280 236.909 3.1533 -5.492661      3.979794 
1 1 1 15 7  30 o 229.976 1.9511 530.777  6.2035  232.014 2.3942 227.938 3.0813 4.075348       3.902188 
1 1 1 15 7  32 o 153.119 1.6118 234.919  3.4655  154.172 2.1122 152.066 2.4353 2.105865       3.223691 
1 1 1 15 7  34 o 59.715  2.1751 35.819   1.7923  60.162  2.6533 59.269  3.4474 0.8938370      4.350196 
1 1 1 15 7  36 o 117.341 1.6605 138.306  2.7396  119.747 2.1862 114.935 2.4999 4.811928       3.320963 
1 1 1 15 7  38 o 111.981 1.7190 127.031  2.4621  114.330 1.7313 109.632 2.9703 4.698547       3.438011 
1 1 1 15 7  40 o 18.493  5.2777 1.8442   1.9005  16.843  6.2574 20.143  8.5007 -3.300518      10.55539 
1 1 1 15 7  42 o 70.562  2.0941 50.100   2.0354  69.880  2.5584 71.243  3.3161 -1.362633      4.188282 
1 1 1 15 7  44 o 40.321  3.6135 16.267   1.9646  35.502  4.4962 45.139  5.6581 -9.636524      7.227058 
1 1 1 15 7  46 o 22.145  4.8339 5.3526   1.8181  25.901  6.0246 18.388  7.5612 7.513090       9.667891 
1 1 1 15 7  48 o 39.065  4.1292 17.151   2.0123  41.465  4.0037 36.666  7.2230 4.799316       8.258346 
1 1 1 15 7  50 o 18.103  5.6384 1.8947   2.3164  15.183  6.3983 21.023  9.2859 -5.839927      11.27684 
1 1 1 15 7  52 o 16.563  4.9533 2.2754   1.9136  16.195  6.3033 16.932  7.6425 -0.7372532     9.906565 
1 1 1 15 8  1  o 363.244 3.7160 1319.19  19.074  357.879 5.1740 368.609 5.3352 -10.72992      7.431972 
1 1 1 15 8  3  o 258.785 2.5372 663.758  8.3660  254.334 2.5858 263.236 4.3661 -8.901749      5.074356 
1 1 1 15 8  5  o 506.210 3.7836 2569.76  24.848  508.724 3.9536 503.697 6.4523 5.026611       7.567212 
1 1 1 15 8  7  o 403.372 3.1737 1616.86  15.437  399.242 2.9107 407.502 5.6408 -8.259308      6.347464 
1 1 1 15 8  9  o 526.806 4.0335 2756.75  25.426  521.003 3.6521 532.609 7.1930 -11.60504      8.066981 
1 1 1 15 8  11 o 417.692 3.4151 1737.08  17.763  414.120 3.3149 421.264 5.9718 -7.143555      6.830181 
1 1 1 15 8  13 o 304.905 2.2063 930.470  9.2360  305.495 2.6544 304.316 3.5249 1.179138       4.412573 
1 1 1 15 8  15 o 349.174 2.3596 1219.22  11.646  345.100 3.2934 353.248 3.3801 -8.148041      4.719228 
1 1 1 15 8  17 o 232.712 1.6786 541.736  5.5229  229.036 2.3975 236.388 2.3499 -7.352493      3.357117 
1 1 1 15 8  19 o 153.990 1.6291 237.230  3.5365  153.801 2.4079 154.178 2.1949 -0.3775940     3.258136 
1 1 1 15 8  21 o 243.173 1.9771 591.066  6.7927  236.404 2.7819 249.943 2.8101 -13.53903      3.954185 
1 1 1 15 8  23 o 88.434  1.4854 78.408   1.8517  92.549  2.0007 84.318  2.1960 8.230988       2.970785 
1 1 1 15 8  25 o 210.346 1.7601 442.697  5.2350  211.164 2.5097 209.528 2.4684 1.635941       3.520138 
1 1 1 15 8  27 o 143.715 1.9603 206.829  3.7180  143.878 2.1302 143.553 3.2914 0.3250580      3.920589 
1 1 1 15 8  29 o 117.851 1.5517 139.005  2.5855  117.934 2.1656 117.769 2.2229 0.1649094      3.103426 
1 1 1 15 8  31 o 97.381  1.5814 95.070   2.1634  96.293  2.3871 98.469  2.0750 -2.176071      3.162873 
1 1 1 15 8  33 o 136.573 1.5703 186.730  3.0326  135.429 2.2159 137.716 2.2255 -2.287338      3.140522 
1 1 1 15 8  35 o 67.224  1.8790 44.967   1.7673  70.197  2.8197 64.251  2.4844 5.946503       3.758072 
1 1 1 15 8  37 o 49.614  2.5476 24.742   1.7855  48.724  3.5382 50.504  3.6664 -1.780048      5.095246 
1 1 1 15 8  39 o 75.098  2.1042 56.670   2.2329  77.254  2.9754 72.942  2.9762 4.311859       4.208446 
1 1 1 15 8  41 o 16.518  4.6184 1.4992   1.5043  13.139  5.5001 19.897  7.4207 -6.757543      9.236794 
1 1 1 15 8  43 o 21.360  5.4528 3.3756   2.1232  23.008  6.2299 19.711  8.9510 3.297092       10.90556 
1 1 1 15 8  45 o 18.357  5.1754 2.5115   1.7878  15.819  6.0536 20.895  8.3961 -5.075778      10.35087 
1 1 1 15 8  47 o 22.718  5.2626 5.9002   1.8816  23.064  6.2231 22.373  8.4885 0.6915131      10.52528 
1 1 1 15 8  49 o 24.891  5.6611 7.4422   2.0271  25.363  5.6806 24.420  9.7941 0.9429970      11.32229 
1 1 1 15 8  51 o 21.351  4.9983 5.6778   1.9646  25.002  6.3661 17.700  7.7076 7.302286       9.996683 
1 1 1 15 9  0  o 72.026  4.9223 52.613   7.0236  72.026  4.9223 ?       ?      0.000000       0.000000 
1 1 1 15 9  2  o 172.965 2.2380 294.114  4.4750  168.897 1.9280 177.033 4.0395 -8.135773      4.476023 
1 1 1 15 9  4  o 479.974 4.0037 2313.96  25.232  484.174 4.2859 475.773 6.7639 8.400177       8.007437 
1 1 1 15 9  6  o 252.873 2.8205 620.055  8.5522  241.136 2.6214 264.611 4.9949 -23.47540      5.641000 
1 1 1 15 9  8  o 390.179 3.0602 1501.31  14.501  381.407 2.8627 398.950 5.4096 -17.54269      6.120312 
1 1 1 15 9  10 o 262.711 2.3203 694.854  7.9545  266.436 2.4444 258.986 3.9446 7.450287       4.640611 
1 1 1 15 9  12 o 662.290 4.1616 4399.22  38.167  667.395 5.1375 657.185 6.5484 10.21033       8.323230 
1 1 1 15 9  14 o 100.652 1.4640 101.582  1.9714  101.322 1.6385 99.983  2.4267 1.338326       2.928059 
1 1 1 15 9  16 o 186.148 2.1154 344.542  4.9781  184.077 2.1159 188.219 3.6637 -4.142273      4.230827 
1 1 1 15 9  18 o 257.595 2.0189 660.475  7.2490  251.040 2.5943 264.150 3.0940 -13.10950      4.037750 
1 1 1 15 9  20 o 175.245 1.9227 305.840  4.4083  173.463 2.0613 177.027 3.2461 -3.563751      3.845313 
1 1 1 15 9  22 o 98.035  1.6687 96.187   2.2702  98.171  2.0813 97.899  2.6088 0.2718048      3.337329 
1 1 1 15 9  24 o 217.699 1.9357 473.212  5.8694  215.296 2.4615 220.101 2.9880 -4.804230      3.871335 
1 1 1 15 9  26 o 107.734 1.4877 116.109  2.2662  108.889 2.1110 106.580 2.0968 2.309738       2.975360 
1 1 1 15 9  28 o 136.914 1.7972 187.494  3.4772  140.758 2.5403 133.070 2.5431 7.687515       3.594468 
1 1 1 15 9  30 o 73.010  1.7635 53.397   1.8192  72.309  2.5608 73.712  2.4254 -1.402588      3.527060 
1 1 1 15 9  32 o 145.763 1.8001 213.036  3.6989  147.982 2.4163 143.543 2.6689 4.438278       3.600185 
1 1 1 15 9  34 o 97.719  1.7774 96.039   2.3843  99.020  2.1279 96.417  2.8476 2.602737       3.554831 
1 1 1 15 9  36 o 69.360  1.8331 48.399   1.7787  70.664  2.3493 68.057  2.8146 2.607353       3.666213 
1 1 1 15 9  38 o 85.462  2.0981 73.443   2.3086  85.738  2.1597 85.187  3.5978 0.5508804      4.196216 
1 1 1 15 9  40 o 46.732  5.3993 23.813   2.3524  49.315  3.2369 44.148  10.302 5.166821       10.79867 
1 1 1 15 9  42 o 59.025  2.5097 35.768   1.8973  60.625  2.5277 57.425  4.3364 3.200554       5.019328 
1 1 1 15 9  44 o 28.677  4.5771 9.3065   1.8057  31.027  5.5511 26.328  7.2792 4.699221       9.154281 
1 1 1 15 9  46 f 20.575  5.7436 3.1641   2.1865  20.158  6.4526 20.991  9.5037 -0.8323593     11.48724 
1 1 1 15 9  48 o 22.437  5.5768 5.9002   2.1469  21.433  7.2550 23.441  8.4715 -2.008528      11.15353 
1 1 1 15 9  50 o 18.071  5.6485 2.3131   2.2856  15.232  6.3381 20.910  9.3514 -5.677932      11.29692 
1 1 1 15 10 1  o 461.144 3.8359 2140.56  23.227  467.475 4.0976 454.814 6.4859 12.66119       7.671862 
1 1 1 15 10 3  o 185.766 2.0880 336.135  4.8496  177.305 2.0887 194.228 3.6161 -16.92372      4.176003 
1 1 1 15 10 5  o 173.461 1.6751 301.659  4.0615  175.930 2.1413 170.993 2.5765 4.936203       3.350168 
1 1 1 15 10 7  o 295.711 2.1310 875.035  8.8091  296.398 2.7359 295.024 3.2680 1.373718       4.262012 
1 1 1 15 10 9  o 202.919 1.7380 409.677  4.8197  199.432 2.0810 206.405 2.7841 -6.972702      3.475922 
1 1 1 15 10 11 o 166.689 1.5645 278.882  3.5678  168.704 1.8545 164.674 2.5203 4.029785       3.129083 
1 1 1 15 10 13 o 42.491  1.8212 17.923   1.0517  41.517  2.1531 43.466  2.9379 -1.949509      3.642442 
1 1 1 15 10 15 o 330.349 2.3736 1093.69  10.901  332.938 2.9726 327.760 3.7014 5.177795       4.747241 
1 1 1 15 10 17 o 193.818 1.7913 376.388  4.8493  195.537 2.2858 192.099 2.7588 3.438263       3.582682 
1 1 1 15 10 19 o 263.375 2.3033 689.898  8.2156  258.635 2.6909 268.114 3.7389 -9.478912      4.606567 
1 1 1 15 10 21 o 336.907 2.4867 1132.75  11.476  333.335 2.9882 340.480 3.9757 -7.145386      4.973439 
1 1 1 15 10 23 o 262.956 2.1642 689.864  7.7969  260.067 2.6025 265.844 3.4586 -5.777008      4.328358 
1 1 1 15 10 25 o 53.610  2.2560 28.947   1.6770  55.105  2.7809 52.115  3.5530 2.989346       4.511905 
1 1 1 15 10 27 o 178.166 1.6691 318.320  4.1527  180.184 2.1262 176.147 2.5736 4.037155       3.338294 
1 1 1 15 10 29 o 159.814 1.7067 255.185  3.7629  158.580 2.0937 161.048 2.6960 -2.467865      3.413498 
1 1 1 15 10 31 o 159.227 1.6356 253.831  3.6489  159.341 2.1238 159.114 2.4880 0.2270966      3.271175 
1 1 1 15 10 33 o 78.297  1.7365 61.509   1.9070  79.122  2.2596 77.472  2.6373 1.650040       3.472918 
1 1 1 15 10 35 o 66.767  2.5936 44.823   2.1899  66.859  2.5785 66.675  4.5009 0.1845779      5.187184 
1 1 1 15 10 37 o 65.096  2.4727 43.205   2.2275  69.972  3.0113 60.221  3.9230 9.750908       4.945499 
1 1 1 15 10 39 o 44.915  3.2463 20.663   1.9500  46.097  3.6013 43.732  5.4022 2.365433       6.492533 
1 1 1 15 10 41 f 76.129  1.9539 58.369   2.0157  76.020  2.2678 76.238  3.1825 -0.2178040     3.907858 
1 1 1 15 10 43 o 36.805  4.8595 16.607   1.9137  43.829  3.2050 29.781  9.1754 14.04836       9.719078 
1 1 1 15 10 45 o 30.245  4.6786 10.461   1.9427  32.165  5.9803 28.325  7.1966 3.840298       9.357114 
1 1 1 15 10 47 o 20.754  5.1029 4.7444   1.8181  21.112  6.5672 20.396  7.8122 0.7163734      10.20586 
1 1 1 15 10 49 o 23.948  5.3813 6.8895   2.0464  26.740  5.4423 21.156  9.2853 5.583715       10.76265 
1 1 1 15 10 51 o 27.002  5.9581 10.572   2.4538  25.140  7.6768 28.863  9.1139 -3.723461      11.91625 
1 1 1 15 11 0  o 134.483 1.7098 180.952  4.5972  134.483 1.7098 ?       ?      0.000000       0.000000 
1 1 1 15 11 2  o 228.837 1.8668 523.835  6.0202  229.160 2.5077 228.514 2.7662 0.6459198      3.733669 
1 1 1 15 11 4  o 285.123 2.2535 813.592  8.9400  285.803 2.8373 284.442 3.5018 1.361084       4.506980 
1 1 1 15 11 6  o 178.051 1.6230 318.337  4.0241  181.711 2.0380 174.391 2.5263 7.320740       3.245903 
1 1 1 15 11 8  o 203.662 1.7071 416.009  4.7510  205.549 2.0191 201.776 2.7531 3.773361       3.414107 
1 1 1 15 11 10 o 151.135 1.4607 228.744  2.9571  151.647 1.6421 150.624 2.4163 1.022354       2.921432 
1 1 1 15 11 12 o 144.169 2.0960 206.068  4.1191  140.126 2.5062 148.212 3.3603 -8.086594      4.191930 
1 1 1 15 11 14 f 338.770 2.5100 1150.81  11.919  343.656 3.2515 333.883 3.8247 9.772491       5.020004 
1 1 1 15 11 16 o 205.863 1.9324 424.918  5.5342  208.089 2.4240 203.637 3.0101 4.452606       3.864794 
1 1 1 15 11 18 o 171.024 1.7714 288.031  3.8486  166.024 1.8076 176.024 3.0470 -10.00034      3.542790 
1 1 1 15 11 20 o 203.942 1.7366 416.819  4.9402  205.705 2.2038 202.179 2.6844 3.526016       3.473163 
1 1 1 15 11 22 o 211.999 1.8461 450.297  5.4169  213.101 2.2772 210.898 2.9064 2.202393       3.692273 
1 1 1 15 11 24 o 59.556  1.9277 35.399   1.5324  59.137  2.1594 59.975  3.1938 -0.8384628     3.855338 
1 1 1 15 11 26 o 126.449 1.4709 158.999  2.5618  123.556 1.8087 129.341 2.3202 -5.785095      2.941889 
1 1 1 15 11 28 o 32.546  3.3624 11.170   1.4303  28.002  5.6704 37.090  3.6152 -9.087288      6.724810 
1 1 1 15 11 30 o 62.439  1.8104 39.076   1.5963  64.382  2.4794 60.496  2.6386 3.885895       3.620706 
1 1 1 15 11 32 o 103.552 1.9718 107.332  2.5481  103.395 1.9144 103.709 3.4477 -0.3138275     3.943575 
1 1 1 15 11 34 o 70.322  2.0546 49.612   2.0432  70.640  2.8924 70.004  2.9187 0.6355896      4.109152 
1 1 1 15 11 36 o 26.077  4.6618 7.1891   1.7216  24.829  6.5794 27.325  6.6061 -2.495930      9.323605 
1 1 1 15 11 38 o 26.616  4.8545 7.5872   1.8164  27.278  6.0136 25.955  7.6224 1.322815       9.709010 
1 1 1 15 11 40 o 35.814  4.6532 14.593   1.9136  40.650  3.6127 30.977  8.5767 9.672319       9.306499 
1 1 1 15 11 42 o 26.618  4.7233 7.7898   1.7513  27.522  5.7545 25.714  7.4915 1.808382       9.446524 
1 1 1 15 11 44 o 21.182  4.5957 4.6622   1.7089  25.607  5.8591 16.758  7.0818 8.849731       9.191403 
1 1 1 15 11 46 o 19.914  5.4482 3.7259   1.9831  16.850  6.4648 22.978  8.7715 -6.127893      10.89648 
1 1 1 15 11 48 o 16.249  4.9771 0.8177   2.1347  15.465  6.9417 17.033  7.1342 -1.568009      9.954126 
1 1 1 15 11 50 o 14.445  4.3553 0.5421   1.6770  16.316  6.4184 12.574  5.8888 3.742064       8.710527 
1 1 1 15 12 1  o 223.956 1.8150 501.723  5.7437  224.456 2.5033 223.456 2.6288 0.9999695      3.630047 
1 1 1 15 12 3  o 367.892 2.6029 1361.33  13.194  375.669 3.1443 360.116 4.1489 15.55356       5.205830 
1 1 1 15 12 5  o 575.541 3.7797 3309.54  29.921  571.729 4.5900 579.354 6.0064 -7.624390      7.559472 
1 1 1 15 12 7  f 156.292 1.5345 243.189  3.2424  154.234 1.7801 158.351 2.5000 -4.117050      3.068999 
1 1 1 15 12 9  o 283.689 2.2747 797.712  8.5954  277.230 2.5565 290.147 3.7631 -12.91708      4.549326 
1 1 1 15 12 11 o 434.727 2.9678 1894.50  17.777  437.538 3.6045 431.915 4.7158 5.622894       5.935591 
1 1 1 15 12 13 o 253.165 1.9525 640.456  6.7864  252.170 2.3548 254.160 3.1151 -1.989777      3.905026 
1 1 1 15 12 15 o 123.330 1.3794 151.189  2.3429  120.487 1.6958 126.173 2.1760 -5.686661      2.758774 
1 1 1 15 12 17 o 210.504 2.0594 438.885  5.5260  206.459 2.1030 214.549 3.5415 -8.090500      4.118814 
1 1 1 15 12 19 o 239.165 1.9891 571.649  6.5439  238.027 2.4142 240.303 3.1619 -2.276428      3.978227 
1 1 1 15 12 21 o 324.057 2.3558 1049.91  10.559  322.310 2.9121 325.805 3.7040 -3.494843      4.711672 
1 1 1 15 12 23 o 298.900 2.2665 894.380  9.2830  298.905 2.7129 298.894 3.6316 0.1022339E-01  4.533014 
1 1 1 15 12 25 o 46.915  2.4043 21.847   1.5733  44.746  3.1393 49.084  3.6424 -4.337429      4.808537 
1 1 1 15 12 27 o 91.633  2.0208 83.124   2.5618  87.333  2.5589 95.932  3.1282 -8.599045      4.041502 
1 1 1 15 12 29 o 68.705  2.5326 46.261   1.9627  66.727  2.1051 70.682  4.6070 -3.954987      5.065228 
1 1 1 15 12 31 o 169.948 1.9498 287.831  4.3702  167.896 2.1297 172.000 3.2668 -4.103790      3.899646 
1 1 1 15 12 33 o 72.702  1.7392 52.907   1.7855  75.638  2.4480 69.766  2.4711 5.872726       3.478378 
1 1 1 15 12 35 o 43.012  2.8349 18.644   1.7240  43.606  3.9535 42.418  4.0642 1.187572       5.669889 
1 1 1 15 12 37 o 25.496  4.5035 6.8958   1.7240  31.392  5.7021 19.601  6.9722 11.79056       9.007016 
1 1 1 15 12 39 o 18.847  4.8151 2.9324   1.7145  20.918  6.7305 16.776  6.8878 4.141865       9.630280 
1 1 1 15 12 41 o 33.820  4.4311 12.211   1.8973  34.594  4.4297 33.046  7.6756 1.547733       8.862118 
1 1 1 15 12 43 o 24.307  5.2081 6.5609   1.9050  22.007  6.8333 26.608  7.8614 -4.600714      10.41619 
1 1 1 15 12 45 o 16.292  5.0233 0.3024   2.1540  15.519  6.7714 17.065  7.4217 -1.545997      10.04659 
1 1 1 15 12 47 o 32.615  5.0377 12.193   2.1044  29.774  5.7820 35.456  8.2511 -5.681976      10.07533 
1 1 1 15 12 49 o 17.634  5.4904 1.9155   2.4628  16.273  6.8660 18.995  8.5696 -2.721788      10.98088 
1 1 1 15 13 0  o 210.293 2.5817 442.484  10.855  210.293 2.5817 ?       ?      0.000000       0.000000 
1 1 1 15 13 2  o 186.331 1.6126 347.419  4.2439  187.960 2.2081 184.703 2.3507 3.256882       3.225124 
1 1 1 15 13 4  o 265.977 2.0710 707.669  7.7892  265.652 2.9564 266.301 2.9012 -0.6495056     4.142093 
1 1 1 15 13 6  o 510.873 3.2989 2614.18  23.243  512.514 4.0240 509.233 5.2286 3.281189       6.597789 
1 1 1 15 13 8  o 362.878 2.5845 1317.34  12.832  362.706 3.0807 363.050 4.1506 -0.3446960     5.168944 
1 1 1 15 13 10 f 346.166 2.4937 1195.76  11.722  343.341 2.9197 348.991 4.0434 -5.649292      4.987322 
1 1 1 15 13 12 f 437.999 3.0222 1923.19  18.164  440.389 3.6247 435.608 4.8371 4.781006       6.044445 
1 1 1 15 13 14 o 161.661 1.8014 261.039  4.1062  164.462 2.6400 158.861 2.4518 5.601227       3.602886 
1 1 1 15 13 16 o 243.727 2.1756 591.081  7.0429  240.384 2.4171 247.070 3.6180 -6.686554      4.351163 
1 1 1 15 13 18 o 168.009 1.6370 282.181  3.8036  167.468 2.0207 168.550 2.5760 -1.081985      3.274006 
1 1 1 15 13 20 o 97.982  1.4784 96.229   2.0412  100.166 1.9761 95.797  2.1995 4.368835       2.956805 
1 1 1 15 13 22 o 117.698 1.4700 138.025  2.3658  116.106 1.7598 119.290 2.3551 -3.183456      2.939972 
1 1 1 15 13 24 o 86.819  2.0418 74.875   2.1283  85.819  1.8600 87.819  3.6354 -1.999817      4.083564 
1 1 1 15 13 26 o 126.720 1.4823 159.629  2.6033  123.131 1.8668 130.309 2.3030 -7.178520      2.964555 
1 1 1 15 13 28 o 163.672 1.7398 268.233  4.0135  163.662 2.3408 163.681 2.5746 -0.1858521E-01 3.479649 
1 1 1 15 13 30 f 46.835  2.4780 22.122   1.6226  48.547  3.1566 45.122  3.8206 3.424385       4.955920 
1 1 1 15 13 32 o 98.853  1.7454 97.627   2.3843  97.653  2.1577 100.052 2.7441 -2.398499      3.490847 
1 1 1 15 13 34 o 58.570  2.2768 34.382   1.8701  59.527  3.4324 57.613  2.9923 1.914696       4.553613 
1 1 1 15 13 36 o 46.559  2.8179 21.760   1.8429  50.716  3.9028 42.403  4.0657 8.312954       5.635767 
1 1 1 15 13 38 o 43.363  2.7806 19.133   1.6914  45.949  3.6129 40.777  4.2278 5.172832       5.561255 
1 1 1 15 13 40 o 61.264  2.7431 38.296   2.0684  61.863  2.5803 60.664  4.8416 1.199589       5.486295 
1 1 1 15 13 42 f 58.085  2.7375 34.173   2.1454  55.724  3.2083 60.446  4.4366 -4.721493      5.475080 
1 1 1 15 13 44 f 17.596  4.7907 2.1104   1.8147  20.410  6.9998 14.781  6.5427 5.628712       9.581497 
1 1 1 15 13 46 o 46.837  3.2717 23.404   2.1004  47.512  3.8973 46.162  5.2561 1.349895       6.543375 
1 1 1 15 13 48 o 32.142  4.8054 13.612   2.2303  42.168  4.6940 22.117  8.3865 20.05035       9.610761 
1 1 1 15 13 50 o 14.886  4.7108 0.6166   1.9454  13.944  6.0826 15.827  7.1950 -1.883191      9.421587 
1 1 1 15 14 1  f 87.556  1.3155 76.568   1.6226  88.686  1.9439 86.427  1.7731 2.259247       2.631072 
1 1 1 15 14 3  o 150.200 1.4436 225.709  3.0635  149.221 2.0967 151.178 1.9851 -1.956573      2.887295 
1 1 1 15 14 5  o 194.558 1.6846 378.379  4.6113  195.605 2.5135 193.511 2.2437 2.094391       3.369245 
1 1 1 15 14 7  f 194.482 1.8042 378.981  4.9383  197.554 2.3917 191.409 2.7020 6.144836       3.608485 
1 1 1 15 14 9  o 223.774 2.0487 500.678  6.3724  223.186 2.5748 224.363 3.1874 -1.177490      4.097405 
1 1 1 15 14 11 o 284.159 2.1704 807.751  8.4112  284.013 2.5629 284.304 3.5035 -0.2901001     4.340869 
1 1 1 15 14 13 o 194.296 1.7693 377.847  4.8392  195.138 2.3559 193.453 2.6405 1.684692       3.538672 
1 1 1 15 14 15 o 204.484 1.9431 417.133  5.2970  202.962 2.1707 206.006 3.2234 -3.043442      3.886178 
1 1 1 15 14 17 o 117.011 2.1274 136.066  3.3507  114.766 2.4480 119.257 3.4801 -4.491104      4.254843 
1 1 1 15 14 19 o 212.397 3.2479 458.043  7.2762  215.804 2.3670 208.990 6.0493 6.814148       6.495871 
1 1 1 15 14 21 o 271.959 2.2133 737.323  8.3841  266.440 2.8278 277.479 3.4056 -11.03909      4.426582 
1 1 1 15 14 23 o 325.384 2.4700 1060.91  11.086  325.952 3.0167 324.816 3.9118 1.135040       4.939919 
1 1 1 15 14 25 o 42.054  2.9033 17.651   1.7027  41.005  3.7371 43.103  4.4441 -2.097446      5.806508 
1 1 1 15 14 27 o 130.074 1.5633 169.127  2.8605  128.537 2.0863 131.611 2.3287 -3.074203      3.126606 
1 1 1 15 14 29 o 122.134 1.6358 149.819  2.7964  124.601 2.1010 119.666 2.5078 4.934525       3.271568 
1 1 1 15 14 31 o 121.236 1.6987 146.905  2.8768  119.601 2.1888 122.871 2.5983 -3.270287      3.397360 
1 1 1 15 14 33 o 95.561  1.7094 91.689   2.2827  96.383  2.1861 94.739  2.6285 1.644409       3.418764 
1 1 1 15 14 35 o 114.233 1.7880 131.052  2.8506  115.046 2.2755 113.420 2.7585 1.626144       3.575916 
1 1 1 15 14 37 o 113.565 1.8496 130.284  2.9024  116.072 2.2554 111.059 2.9321 5.013718       3.699197 
1 1 1 15 14 39 o 66.178  2.5939 44.440   2.4263  67.432  3.5982 64.924  3.7372 2.508553       5.187790 
1 1 1 15 14 41 o 16.825  4.9718 1.1040   1.9608  16.400  6.7566 17.250  7.2953 -0.8495464     9.943526 
1 1 1 15 14 43 o 53.170  2.6714 28.658   1.9500  49.638  3.3444 56.702  4.1665 -7.063606      5.342714 
1 1 1 15 14 45 o 16.005  4.9479 -1.4798  2.0188  10.010  4.8830 21.999  8.6071 -11.98941      9.895788 
1 1 1 15 14 47 o 18.740  5.3269 3.2203   2.1469  18.772  7.1342 18.708  7.9125 0.6432152E-01  10.65380 
1 1 1 15 14 49 o 17.992  4.9228 3.2667   1.9464  20.596  7.0004 15.389  6.9232 5.207346       9.845625 
1 1 1 15 15 0  o 7.3878  4.8794 -0.2554  1.7878  7.3878  4.8794 ?       ?      0.000000       0.000000 
1 1 1 15 15 2  o 112.994 1.3787 127.703  2.2024  112.938 1.9788 113.051 1.9203 -0.1136093     2.757358 
1 1 1 15 15 4  o 26.195  2.7582 6.8400   1.0176  27.900  3.8906 24.490  3.9109 3.410080       5.516490 
1 1 1 15 15 6  o 88.539  1.3868 78.493   1.7027  88.104  2.1742 88.973  1.7223 -0.8692932     2.773690 
1 1 1 15 15 8  o 291.701 2.1756 851.641  8.9700  288.558 3.1421 294.843 3.0101 -6.285461      4.351290 
1 1 1 15 15 10 o 280.792 2.1381 786.509  8.2536  277.734 2.5978 283.850 3.3967 -6.115845      4.276220 
1 1 1 15 15 12 o 247.108 2.5214 605.881  8.1842  242.328 2.7403 251.888 4.2332 -9.560272      5.042759 
1 1 1 15 15 14 o 151.753 2.6403 236.324  4.3022  156.355 1.9602 147.150 4.9032 9.205185       5.280525 
1 1 1 15 15 16 o 41.956  2.3675 17.623   1.4047  41.803  3.3603 42.108  3.3360 -0.3043747     4.735013 
1 1 1 15 15 18 o 217.805 1.8527 472.071  5.4774  214.182 2.1762 221.429 2.9989 -7.247604      3.705320 
1 1 1 15 15 20 o 168.543 1.8511 281.972  4.2281  164.532 2.1732 172.554 2.9973 -8.022171      3.702208 
1 1 1 15 15 22 o 127.861 1.6163 162.302  2.8263  124.530 1.9484 131.192 2.5795 -6.662086      3.232636 
1 1 1 15 15 24 o 149.493 1.6736 222.344  3.4177  146.549 2.0042 152.437 2.6807 -5.888245      3.347108 
1 1 1 15 15 26 o 67.828  2.1634 46.096   2.0746  68.014  3.0980 67.642  3.0206 0.3723221      4.326849 
1 1 1 15 15 28 o 179.614 1.8001 323.196  4.5544  180.266 2.4086 178.961 2.6759 1.305206       3.600207 
1 1 1 15 15 30 o 99.395  1.8961 99.025   2.6186  99.388  2.3770 99.401  2.9548 -0.1275635E-01 3.792240 
1 1 1 15 15 32 o 59.868  2.3380 35.991   1.9773  59.344  3.2278 60.393  3.3832 -1.048569      4.675993 
1 1 1 15 15 34 o 41.678  3.0794 17.719   1.7855  44.908  3.8389 38.448  4.8160 6.459610       6.158771 
1 1 1 15 15 36 o 40.175  3.4667 15.958   1.9052  44.168  5.3489 36.183  4.4116 7.984585       6.933474 
1 1 1 15 15 38 o 21.480  4.5852 4.7964   1.5733  18.827  7.0464 24.134  5.8689 -5.306219      9.170406 
1 1 1 15 15 40 o 16.890  4.6672 1.9057   1.6380  16.138  6.7770 17.642  6.4191 -1.504463      9.334455 
1 1 1 15 15 42 o 45.161  3.1326 21.408   1.9773  48.050  3.9865 42.273  4.8333 5.776192       6.265275 
1 1 1 15 15 44 o 14.385  4.7444 -2.9150  2.3429  13.831  6.3687 14.939  7.0340 -1.108408      9.488798 
1 1 1 15 15 46 o 16.253  4.9642 0.0719   2.2447  18.332  7.3442 14.174  6.6810 4.157899       9.928448 
1 1 1 15 15 48 f 19.898  5.5737 4.3897   2.4247  21.282  7.4808 18.514  8.2644 2.767797       11.14732 
1 1 1 15 16 1  f 313.384 2.3122 982.318  10.243  309.965 3.2341 316.803 3.3054 -6.837860      4.624361 
1 1 1 15 16 3  o 465.822 3.3917 2173.32  22.081  466.628 4.3513 465.015 5.2040 1.612244       6.783465 
1 1 1 15 16 5  o 252.670 2.3094 638.796  8.2050  252.591 3.0587 252.749 3.4610 -0.1571655     4.618832 
1 1 1 15 16 7  f 145.459 1.7099 211.689  3.5013  145.616 2.2801 145.303 2.5487 0.3132324      3.419768 
1 1 1 15 16 9  o 251.201 2.1148 630.622  7.4632  248.849 2.7968 253.553 3.1730 -4.704544      4.229602 
1 1 1 15 16 11 o 278.934 2.6459 779.907  9.9908  280.048 3.0552 277.819 4.3208 2.229492       5.291793 
1 1 1 15 16 13 o 195.669 1.9495 377.573  4.9603  189.730 2.0865 201.608 3.2937 -11.87794      3.899001 
1 1 1 15 16 15 o 92.468  1.5703 85.304   2.0113  91.369  1.9567 93.567  2.4567 -2.197937      3.140665 
1 1 1 15 16 17 o 223.165 1.9591 498.174  6.0172  222.788 2.3788 223.543 3.1134 -0.7550201     3.918101 
1 1 1 15 16 19 o 207.634 1.9314 431.523  5.6102  207.711 2.4899 207.557 2.9532 0.1540680      3.862826 
1 1 1 15 16 21 o 46.961  2.5198 22.122   1.6380  47.242  3.1086 46.679  3.9668 0.5624695      5.039696 
1 1 1 15 16 23 o 108.006 1.6991 116.083  2.5383  105.421 2.1199 110.592 2.6558 -5.171242      3.398112 
1 1 1 15 16 25 o 112.535 1.7094 126.897  2.7043  113.225 2.2557 111.846 2.5689 1.378380       3.418728 
1 1 1 15 16 27 f 28.837  4.3325 8.6349   1.7553  24.067  6.8398 33.607  5.3198 -9.539921      8.665032 
1 1 1 15 16 29 o 54.978  2.3773 29.937   1.8164  58.376  3.6095 51.580  3.0947 6.795341       4.754537 
1 1 1 15 16 31 o 32.794  4.3044 11.146   1.9469  35.687  5.5465 29.901  6.5840 5.786358       8.608830 
1 1 1 15 16 33 o 76.842  2.2333 59.312   2.4246  76.726  3.0791 76.957  3.2358 -0.2307739     4.466658 
1 1 1 15 16 35 f 64.397  2.2780 41.630   2.0629  62.501  3.0648 66.293  3.3710 -3.791794      4.555950 
1 1 1 15 16 37 o 66.795  2.6356 45.341   2.3188  66.140  4.4408 67.450  2.8399 -1.309898      5.271204 
1 1 1 15 16 39 o 63.283  2.6257 41.200   2.2543  60.863  4.3013 65.703  3.0126 -4.839619      5.251348 
1 1 1 15 16 41 o 37.967  5.1485 16.069   2.6072  38.116  8.4328 37.819  5.9091 0.2965736      10.29707 
1 1 1 15 16 43 o 44.410  3.5805 21.722   2.1156  49.664  3.8569 39.156  6.0335 10.50868       7.160972 
1 1 1 15 16 45 o 21.791  5.0200 5.6188   1.7878  23.041  7.0786 20.540  7.1202 2.500322       10.04009 
1 1 1 15 16 47 o 22.922  5.1623 6.6793   2.1469  27.637  6.7490 18.206  7.8133 9.431374       10.32457 
1 1 1 15 17 0  o 162.868 2.4318 265.490  7.9175  162.868 2.4318 ?       ?      0.000000       0.000000 
1 1 1 15 17 2  o 50.188  2.3402 25.512   1.5043  48.971  4.0419 51.404  2.3600 -2.433620      4.680476 
1 1 1 15 17 4  o 97.075  1.8936 93.900   2.5383  98.614  2.9784 95.536  2.3392 3.078331       3.787164 
1 1 1 15 17 6  f 371.115 2.9601 1375.29  15.299  376.000 4.5680 366.229 3.7659 9.771179       5.920179 
1 1 1 15 17 8  o 468.963 3.6800 2212.74  23.793  461.466 5.8528 476.459 4.4625 -14.99313      7.360005 
1 1 1 15 17 10 o 235.083 2.3490 551.341  7.7013  239.025 3.6062 231.142 3.0110 7.883377       4.697991 
1 1 1 15 17 12 o 319.829 2.8509 1027.14  12.586  316.554 4.5182 323.105 3.4780 -6.550903      5.701817 
1 1 1 15 17 14 o 239.673 2.4710 574.814  8.3332  240.854 3.6849 238.493 3.2930 2.361176       4.941905 
1 1 1 15 17 16 o 207.539 2.1880 431.392  6.4168  203.553 3.1682 211.524 3.0186 -7.970367      4.375970 
1 1 1 15 17 18 o 77.469  2.1283 60.115   2.2348  77.331  3.4678 77.607  2.4682 -0.2758636     4.256521 
1 1 1 15 17 20 o 166.097 1.8890 276.043  4.4355  163.678 2.6527 168.515 2.6902 -4.836456      3.778061 
1 1 1 15 17 22 o 42.656  2.8913 18.420   1.6192  41.731  4.8961 43.581  3.0767 -1.849659      5.782577 
1 1 1 15 17 24 o 182.328 2.1334 333.325  5.4793  181.033 3.1743 183.623 2.8514 -2.589783      4.266893 
1 1 1 15 17 26 o 47.113  3.6299 22.092   2.2986  48.413  5.9349 45.812  4.1812 2.600506       7.259892 
1 1 1 15 17 28 o 27.210  5.1965 7.8171   2.1691  22.362  8.4874 32.057  5.9984 -9.694151      10.39307 
1 1 1 15 17 30 o 74.273  2.8211 56.779   2.6338  71.026  4.9443 77.520  2.7181 -6.493324      5.642207 
1 1 1 15 17 32 o 85.696  2.3586 74.145   2.8381  82.105  3.5773 89.287  3.0750 -7.181931      4.717237 
1 1 1 15 17 34 o 92.904  1.8510 86.875   2.4246  95.012  2.4865 90.796  2.7426 4.215958       3.701953 
1 1 1 15 17 36 o 63.821  2.2839 41.391   2.0412  60.201  3.5001 67.442  2.9349 -7.240978      4.567748 
1 1 1 15 17 38 o 54.132  2.4622 29.765   1.8830  54.736  3.3829 53.529  3.5785 1.207535       4.924373 
1 1 1 15 17 40 o 16.582  4.8674 1.2987   1.8701  16.809  7.0917 16.355  6.6690 0.4541702      9.734838 
1 1 1 15 17 42 o 28.658  4.8406 9.2796   1.9865  21.866  7.1288 35.450  6.5503 -13.58414      9.681219 
1 1 1 15 17 44 o 17.588  4.9050 1.9352   1.9646  19.670  6.7361 15.506  7.1318 4.164644       9.810046 
1 1 1 15 17 46 o 19.875  5.3232 3.7971   2.3083  22.670  7.1018 17.080  7.9316 5.589117       10.64641 
1 1 1 15 17 48 f 23.405  4.9809 7.4686   2.0123  28.164  6.0678 18.645  7.9006 9.518595       9.961794 
1 1 1 15 18 1  o 167.589 1.7107 280.908  4.0522  168.826 2.4583 166.353 2.3797 2.472809       3.421466 
1 1 1 15 18 3  o 218.351 1.8719 477.146  5.7783  216.040 2.6895 220.661 2.6042 -4.621628      3.743722 
1 1 1 15 18 5  o 446.103 3.2734 1994.90  20.500  443.975 4.9472 448.231 4.2877 -4.256073      6.546752 
1 1 1 15 18 7  o 507.200 3.9035 2579.53  27.998  509.590 5.5006 504.810 5.5400 4.780609       7.806916 
1 1 1 15 18 9  o 281.914 2.3635 795.685  9.4092  282.184 3.2357 281.644 3.4459 0.5399780      4.726958 
1 1 1 15 18 11 o 31.606  3.6176 11.663   1.1919  25.743  6.8306 37.468  2.3858 -11.72572      7.235220 
1 1 1 15 18 13 o 89.385  1.6271 79.845   2.0113  89.807  2.5595 88.962  2.0096 0.8453903      3.254178 
1 1 1 15 18 15 o 246.052 2.1752 604.549  7.4283  243.371 2.7285 248.733 3.3885 -5.362183      4.350478 
1 1 1 15 18 17 o 138.585 1.6035 192.046  3.0961  138.087 2.0345 139.082 2.4791 -0.9946136     3.207027 
1 1 1 15 18 19 o 199.374 1.8766 398.055  5.2241  199.777 2.3971 198.971 2.8881 0.8061676      3.753298 
1 1 1 15 18 21 o 207.882 1.9185 432.616  5.5724  207.479 2.4620 208.284 2.9429 -0.8054047     3.836929 
1 1 1 15 18 23 o 139.615 1.6981 194.969  3.3445  137.954 2.3142 141.276 2.4858 -3.322128      3.396254 
1 1 1 15 18 25 o 52.363  2.6968 28.592   1.8181  47.821  4.6732 56.904  2.6930 -9.082806      5.393553 
1 1 1 15 18 27 o 72.247  2.0373 52.440   2.0707  73.494  2.6932 71.001  3.0576 2.493073       4.074602 
1 1 1 15 18 29 o 51.931  2.5149 26.610   1.8164  46.067  3.4651 57.795  3.6457 -11.72857      5.029765 
1 1 1 15 18 31 o 114.536 1.7935 131.484  2.9020  113.070 2.4847 116.003 2.5870 -2.932243      3.586933 
1 1 1 15 18 33 o 45.793  2.8597 21.458   1.8057  48.277  3.4387 43.309  4.5703 4.967701       5.719474 
1 1 1 15 18 35 o 14.044  4.2576 -0.9064  1.6276  11.604  5.4654 16.485  6.5298 -4.880823      8.515170 
1 1 1 15 18 37 o 68.272  2.2188 47.114   2.1271  68.911  3.3356 67.633  2.9266 1.278793       4.437511 
1 1 1 15 18 39 o 66.160  2.4571 44.809   2.2968  66.502  3.5525 65.818  3.3954 0.6839066      4.914153 
1 1 1 15 18 41 o 63.825  2.3709 41.787   2.1385  65.652  3.3067 61.999  3.3985 3.652267       4.741777 
1 1 1 15 18 43 o 22.013  5.6038 5.4642   2.1655  21.518  7.1288 22.508  8.6482 -0.9902420     11.20766 
1 1 1 15 18 45 o 29.241  5.2330 10.719   2.1634  27.637  7.2880 30.846  7.5115 -3.208361      10.46600 
1 1 1 15 18 47 o 11.694  3.9732 -3.6820  1.9134  11.823  5.6445 11.566  5.5933 0.2566385      7.946407 
1 1 1 15 19 0  o 212.807 3.0318 453.338  12.898  212.807 3.0318 ?       ?      0.000000       0.000000 
1 1 1 15 19 2  o 302.706 2.7082 917.691  11.582  302.052 3.9318 303.360 3.7255 -1.307648      5.416481 
1 1 1 15 19 4  o 240.659 2.2232 579.728  7.5661  238.962 3.1530 242.356 3.1351 -3.394058      4.446376 
1 1 1 15 19 6  o 312.670 2.4198 979.017  10.690  311.212 3.5084 314.128 3.3335 -2.915527      4.839509 
1 1 1 15 19 8  o 246.728 2.1137 609.191  7.3713  245.478 2.9392 247.979 3.0383 -2.500443      4.227319 
1 1 1 15 19 10 o 162.354 1.7322 264.111  3.9330  161.029 2.6567 163.680 2.2235 -2.650696      3.464377 
1 1 1 15 19 12 o 106.592 1.5778 114.054  2.3469  104.641 2.4407 108.544 2.0000 -3.902649      3.155527 
1 1 1 15 19 14 o 139.284 1.6923 193.602  3.2760  141.037 2.6258 137.530 2.1356 3.507050       3.384613 
1 1 1 15 19 16 o 54.281  2.2044 29.921   1.6503  50.746  3.5230 57.815  2.6506 -7.068516      4.408767 
1 1 1 15 19 18 o 270.930 2.2183 734.828  8.3724  270.232 2.8117 271.628 3.4320 -1.395233      4.436690 
1 1 1 15 19 20 o 106.956 1.7574 113.858  2.6033  104.318 2.2035 109.595 2.7382 -5.277779      3.514712 
1 1 1 15 19 22 o 101.486 1.8264 102.759  2.5930  99.361  2.3777 103.612 2.7731 -4.251091      3.652869 
1 1 1 15 19 24 o 26.725  4.2877 7.6621   1.5775  22.782  7.3772 30.668  4.3722 -7.885597      8.575450 
1 1 1 15 19 26 o 24.063  4.5412 5.8768   1.5554  27.821  6.7211 20.305  6.1088 7.516331       9.082465 
1 1 1 15 19 28 o 53.525  2.3685 28.840   1.7855  54.667  3.1535 52.383  3.5349 2.284382       4.737095 
1 1 1 15 19 30 o 20.840  4.9130 3.4479   1.9155  26.022  7.1460 15.658  6.7443 10.36406       9.826048 
1 1 1 15 19 32 o 17.075  4.7301 1.4488   1.7507  14.943  6.5345 19.206  6.8409 -4.262707      9.460298 
1 1 1 15 19 34 o 52.317  2.7292 27.810   2.0108  54.464  3.6343 50.170  4.0726 4.293327       5.458367 
1 1 1 15 19 36 o 60.387  2.4397 37.474   2.0253  56.977  3.9222 63.797  2.9024 -6.819939      4.879356 
1 1 1 15 19 38 o 30.603  4.9465 10.506   2.0897  27.026  7.0243 34.180  6.9665 -7.154461      9.893050 
1 1 1 15 19 40 o 26.347  4.9432 8.0170   1.8787  27.626  6.5604 25.068  7.3961 2.558424       9.886405 
1 1 1 15 19 42 o 45.720  3.5080 22.523   2.2329  51.145  4.4943 40.296  5.3875 10.84922       7.015950 
1 1 1 15 19 44 o 54.194  3.0492 31.613   2.2702  56.249  3.6325 52.139  4.8985 4.110073       6.098372 
1 1 1 15 19 46 o 17.216  4.9318 2.8429   1.9218  18.444  6.9162 15.988  7.0326 2.456858       9.863650 
1 1 1 15 20 1  o 57.808  2.2279 33.473   1.8192  58.582  3.0518 57.034  3.2466 1.548393       4.455776 
1 1 1 15 20 3  o 115.981 1.5766 134.564  2.5855  114.825 2.2243 117.136 2.2349 -2.310760      3.153110 
1 1 1 15 20 5  o 147.647 1.9570 218.124  4.0854  148.791 2.7893 146.502 2.7457 2.288422       3.914015 
1 1 1 15 20 7  o 131.300 1.6756 172.846  3.0806  129.592 2.5620 133.007 2.1602 -3.414795      3.351225 
1 1 1 15 20 9  o 64.592  2.0267 41.709   1.7520  64.779  3.3513 64.405  2.2802 0.3740616      4.053449 
1 1 1 15 20 11 o 145.635 1.6606 212.269  3.4085  145.411 2.4590 145.859 2.2326 -0.4475708     3.321272 
1 1 1 15 20 13 o 229.253 2.2974 526.825  7.2419  228.389 3.6623 230.118 2.7747 -1.728348      4.594744 
1 1 1 15 20 15 o 210.671 2.2084 443.846  6.2655  211.421 3.6241 209.921 2.5246 1.500076       4.416709 
1 1 1 15 20 17 f 49.471  3.0042 24.962   1.8973  47.821  5.2073 51.121  2.9976 -3.300636      6.008440 
1 1 1 15 20 19 o 117.760 1.6899 138.497  2.7862  116.011 2.2015 119.510 2.5645 -3.498451      3.379848 
1 1 1 15 20 21 o 106.210 1.7899 112.947  2.6680  106.190 2.3450 106.231 2.7047 -0.4071808E-01 3.579764 
1 1 1 15 20 23 o 218.098 2.0337 476.653  6.2254  217.956 2.6658 218.240 3.0720 -0.2835846     4.067412 
1 1 1 15 20 25 o 115.620 1.8355 133.942  2.9996  112.699 2.6062 118.541 2.5855 -5.841988      3.671069 
1 1 1 15 20 27 o 117.635 1.7488 138.736  2.8964  117.571 2.3352 117.699 2.6039 -0.1286545     3.497699 
1 1 1 15 20 29 f 83.148  2.0898 69.212   2.4479  80.789  2.8452 85.506  3.0616 -4.717781      4.179557 
1 1 1 15 20 31 o 28.385  4.7244 8.7075   1.8787  25.473  7.3581 31.297  5.9277 -5.823832      9.448750 
1 1 1 15 20 33 f 45.697  3.2205 21.291   2.0746  43.194  4.7303 48.199  4.3716 -5.004475      6.441004 
1 1 1 15 20 35 o 32.990  4.4002 11.674   1.9711  34.606  6.3237 31.375  6.1201 3.231306       8.800321 
1 1 1 15 20 37 o 15.914  4.7360 0.5813   1.8495  17.894  7.1325 13.933  6.2327 3.961355       9.472002 
1 1 1 15 20 39 o 30.935  3.9902 10.479   1.6866  36.289  4.9266 25.582  6.2782 10.70689       7.980421 
1 1 1 15 20 41 o 25.011  5.0371 7.4183   2.0587  19.868  7.9852 30.153  6.1423 -10.28420      10.07424 
1 1 1 15 20 43 o 14.574  4.6708 -0.8580  1.9933  12.414  5.7673 16.734  7.3488 -4.319676      9.341633 
1 1 1 15 20 45 o 18.101  5.4263 3.0393   2.2986  16.401  6.8903 19.802  8.3847 -3.401289      10.85261 
1 1 1 15 21 0  o 239.542 3.1465 574.399  15.069  239.542 3.1465 ?       ?      0.000000       0.000000 
1 1 1 15 21 2  o 90.640  1.9749 81.992   2.4894  91.829  3.0594 89.451  2.4983 2.378113       3.949858 
1 1 1 15 21 4  o 125.794 1.6911 158.154  2.9792  126.701 2.5701 124.887 2.1984 1.813927       3.382113 
1 1 1 15 21 6  o 134.178 1.8700 180.167  3.4375  134.210 2.9972 134.147 2.2371 0.6391907E-01  3.740034 
1 1 1 15 21 8  o 160.472 1.9694 256.632  4.3363  162.916 3.1354 158.029 2.3839 4.886948       3.938705 
1 1 1 15 21 10 o 281.505 2.5667 792.044  9.9751  283.958 4.0475 279.052 3.1576 4.905792       5.133456 
1 1 1 15 21 12 o 260.064 2.2069 675.724  8.0587  264.259 3.3102 255.870 2.9197 8.389084       4.413821 
1 1 1 15 21 14 f 182.018 1.8503 331.754  4.7464  181.710 2.7408 182.327 2.4864 -0.6167145     3.700580 
1 1 1 15 21 16 o 66.123  2.4408 44.558   2.0188  64.106  4.2829 68.141  2.3426 -4.035095      4.881673 
1 1 1 15 21 18 o 118.521 1.7536 140.399  2.8263  119.169 2.8397 117.873 2.0584 1.296326       3.507299 
1 1 1 15 21 20 o 136.887 1.7857 187.308  3.4184  135.529 2.3085 138.246 2.7250 -2.717575      3.571369 
1 1 1 15 21 22 f 152.232 1.7817 231.623  3.8044  149.885 2.3430 154.579 2.6849 -4.693497      3.563458 
1 1 1 15 21 24 o 93.958  2.0289 88.874   2.6756  91.159  3.0819 96.758  2.6396 -5.599152      4.057781 
1 1 1 15 21 26 o 93.246  1.9631 87.002   2.5666  91.528  2.5811 94.964  2.9584 -3.435966      3.926121 
1 1 1 15 21 28 o 88.837  1.8550 79.159   2.3301  89.480  2.6402 88.194  2.6063 1.286011       3.709950 
1 1 1 15 21 30 o 23.360  5.4337 5.3151   2.0761  20.046  7.2163 26.674  8.1255 -6.628063      10.86731 
1 1 1 15 21 32 o 109.198 1.9245 119.977  2.9605  108.710 2.5843 109.685 2.8524 -0.9744034     3.849028 
1 1 1 15 21 34 o 40.119  3.3328 16.469   1.8571  40.707  5.1762 39.530  4.1996 1.176502       6.665531 
1 1 1 15 21 36 o 45.699  3.3122 21.764   2.1347  45.576  4.4831 45.822  4.8771 -0.2453194     6.624500 
1 1 1 15 21 38 o 18.641  5.1441 2.9000   1.9773  17.748  7.2525 19.534  7.2971 -1.785517      10.28817 
1 1 1 15 21 40 o 16.540  4.9489 0.8959   2.0412  18.684  7.4695 14.396  6.4940 4.288096       9.897772 
1 1 1 15 21 42 o 15.901  4.8430 0.9578   1.9794  16.458  6.9636 15.344  6.7326 1.114214       9.686038 
1 1 1 15 21 44 o 19.393  4.8367 4.1581   1.8192  14.963  6.4812 23.824  7.1810 -8.860100      9.673306 
1 1 1 15 22 1  o 243.645 2.7056 594.767  9.3222  244.785 3.8083 242.505 3.8441 2.279968       5.411132 
1 1 1 15 22 3  o 275.243 2.5866 758.123  9.8211  274.191 3.1670 276.294 4.0904 -2.102448      5.173137 
1 1 1 15 22 5  o 256.061 2.4552 657.415  8.8637  259.255 3.3002 252.867 3.6361 6.388184       4.910452 
1 1 1 15 22 7  o 62.708  2.5199 39.372   2.2329  62.049  3.4987 63.366  3.6275 -1.317429      5.039813 
1 1 1 15 22 9  o 228.284 2.2361 521.671  7.2010  227.096 3.0365 229.472 3.2833 -2.375793      4.472240 
1 1 1 15 22 11 o 111.553 1.6926 124.787  2.6186  110.654 2.6543 112.452 2.1009 -1.798096      3.385130 
1 1 1 15 22 13 o 89.601  1.8096 80.358   2.2123  89.690  2.9188 89.512  2.1400 0.1784592      3.619226 
1 1 1 15 22 15 f 85.710  1.7660 73.186   2.1156  88.119  2.6810 83.301  2.2995 4.818245       3.532064 
1 1 1 15 22 17 o 106.098 1.6848 112.593  2.4099  106.347 2.7618 105.848 1.9303 0.4994812      3.369545 
1 1 1 15 22 19 o 56.062  2.6087 31.753   1.9256  55.114  4.4023 57.010  2.8000 -1.895424      5.217319 
1 1 1 15 22 21 o 193.536 1.8372 375.297  4.9779  193.323 2.3780 193.748 2.8012 -0.4254913     3.674463 
1 1 1 15 22 23 o 97.374  2.0212 95.243   2.7742  95.790  2.9995 98.959  2.7099 -3.168274      4.042405 
1 1 1 15 22 25 o 39.407  3.4099 15.772   1.8701  38.399  5.3210 40.415  4.2657 -2.016106      6.819773 
1 1 1 15 22 27 o 104.911 2.3719 110.635  3.1130  105.028 2.3102 104.794 4.1432 0.2336197      4.743729 
1 1 1 15 22 29 o 60.470  2.5020 36.911   2.1385  60.795  3.4658 60.145  3.6095 0.6502228      5.004020 
1 1 1 15 22 31 o 17.909  5.1637 1.1399   2.1240  16.785  7.4409 19.033  7.1617 -2.247931      10.32748 
1 1 1 15 22 33 o 17.384  4.5477 0.1893   1.8495  23.635  7.3405 11.134  5.3706 12.50111       9.095366 
1 1 1 15 22 35 o 52.920  3.0740 29.052   2.2986  51.653  4.4501 54.187  4.2420 -2.533745      6.148013 
1 1 1 15 22 37 o 57.194  2.7728 33.968   2.2348  54.403  4.1078 59.985  3.7255 -5.581902      5.545578 
1 1 1 15 22 39 o 39.835  3.9026 17.611   2.0746  46.192  4.5615 33.478  6.3336 12.71397       7.805264 
1 1 1 15 22 41 o 28.686  5.0330 9.9667   2.0253  31.488  7.2435 25.884  6.9896 5.603651       10.06591 
1 1 1 15 22 43 o 17.629  5.3397 2.3297   2.3193  15.551  6.8316 19.706  8.2085 -4.155710      10.67944 
1 1 1 15 23 0  o 218.964 2.9756 480.028  13.025  218.964 2.9756 ?       ?      0.000000       0.000000 
1 1 1 15 23 2  o 198.757 1.9198 395.485  5.3952  201.663 2.6913 195.850 2.7385 5.812057       3.839601 
1 1 1 15 23 4  o 199.505 1.9367 398.292  5.4441  200.437 2.8670 198.573 2.6045 1.864136       3.873400 
1 1 1 15 23 6  o 159.928 1.7793 256.020  4.0185  160.122 2.5920 159.733 2.4384 0.3884735      3.558628 
1 1 1 15 23 8  o 191.117 1.8192 365.735  4.9165  189.580 2.5934 192.653 2.5520 -3.073654      3.638425 
1 1 1 15 23 10 o 180.266 1.8040 325.389  4.5937  180.188 2.6222 180.343 2.4783 -0.1547394     3.608080 
1 1 1 15 23 12 o 96.323  1.7364 92.878   2.3556  96.549  2.5792 96.098  2.3255 0.4505920      3.472773 
1 1 1 15 23 14 o 96.847  1.7145 94.175   2.3091  95.484  2.6748 98.209  2.1455 -2.725189      3.428950 
1 1 1 15 23 16 f 104.074 1.7873 108.178  2.5789  105.253 2.7905 102.896 2.2339 2.357239       3.574569 
1 1 1 15 23 18 o 161.776 1.8127 263.293  4.0983  157.631 2.7949 165.921 2.3089 -8.289703      3.625313 
1 1 1 15 23 20 o 87.400  2.1402 75.949   2.5182  89.501  3.4957 85.299  2.4702 4.201431       4.280406 
1 1 1 15 23 22 o 70.848  2.3032 50.105   2.2543  69.178  2.8613 72.518  3.6100 -3.340187      4.606369 
1 1 1 15 23 24 o 30.764  4.2155 9.8786   1.7855  33.122  5.2049 28.406  6.6325 4.716059       8.430985 
1 1 1 15 23 26 o 85.374  2.2139 74.078   2.4720  87.628  2.3317 83.120  3.7641 4.508438       4.427740 
1 1 1 15 23 28 o 19.192  4.9528 2.2835   1.8398  24.585  7.8429 13.800  6.0506 10.78425       9.905650 
1 1 1 15 23 30 o 14.937  4.6856 -1.0504  1.9464  15.313  6.9042 14.561  6.3366 0.7511444      9.371252 
1 1 1 15 23 32 o 49.361  2.8369 24.638   1.9464  47.419  3.6356 51.302  4.3561 -3.882618      5.673885 
1 1 1 15 23 34 o 23.372  5.8359 5.7930   2.4379  22.052  8.5312 24.692  7.9655 -2.639856      11.67185 
1 1 1 15 23 36 o 20.223  5.3237 3.9316   2.0587  19.380  7.9086 21.066  7.1288 -1.685457      10.64736 
1 1 1 15 23 38 o 19.813  5.5924 3.1253   2.4196  22.679  8.4351 16.947  7.3449 5.731676       11.18476 
1 1 1 15 23 40 o 25.737  5.5418 8.2506   2.1654  28.230  8.2851 23.244  7.3623 4.986275       11.08358 
1 1 1 15 23 42 o 20.087  5.4006 4.6666   2.2329  17.280  7.4141 22.894  7.8547 -5.614307      10.80114 
1 1 1 15 24 1  o 15.037  4.5226 -0.0506  1.6914  15.665  6.4876 14.408  6.3028 1.257060       9.045140 
1 1 1 15 24 3  o 115.896 1.7728 134.477  2.9048  113.721 2.5266 118.070 2.4876 -4.349167      3.545681 
1 1 1 15 24 5  o 196.644 1.8848 387.405  5.2287  195.578 2.7750 197.709 2.5513 -2.131149      3.769592 
1 1 1 15 24 7  o 203.330 1.8984 413.932  5.4575  200.509 2.6749 206.151 2.6946 -5.641663      3.796863 
1 1 1 15 24 9  o 110.918 1.9011 123.404  2.9522  109.869 2.9058 111.967 2.4521 -2.098305      3.802145 
1 1 1 15 24 11 o 122.341 1.8353 149.267  3.1061  124.355 2.8753 120.328 2.2817 4.027313       3.670684 
1 1 1 15 24 13 o 109.709 1.8587 120.703  2.8605  108.650 2.8208 110.767 2.4210 -2.116852      3.717323 
1 1 1 15 24 15 o 110.214 1.8192 122.018  2.7731  108.918 2.8725 111.510 2.2331 -2.591995      3.638428 
1 1 1 15 24 17 o 175.307 1.9138 308.332  4.6939  174.381 2.9292 176.234 2.4637 -1.852905      3.827549 
1 1 1 15 24 19 o 162.114 1.9042 262.628  4.2658  164.261 2.9931 159.966 2.3550 4.295685       3.808482 
1 1 1 15 24 21 o 120.017 2.0030 144.957  3.3732  117.518 3.0426 122.515 2.6058 -4.996521      4.005970 
1 1 1 15 24 23 o 165.108 2.0390 273.625  4.7549  158.778 2.9356 171.437 2.8306 -12.65906      4.077963 
1 1 1 15 24 25 o 92.533  2.2207 86.148   2.9048  93.194  3.0831 91.871  3.1970 1.323120       4.441439 
1 1 1 15 24 27 o 75.979  2.0825 58.082   2.2275  76.203  3.1002 75.755  2.7814 0.4478531      4.165081 
1 1 1 15 24 29 o 124.037 1.8962 154.976  3.3092  124.166 2.5198 123.908 2.8342 0.2575912      3.792315 
1 1 1 15 24 31 o 46.187  3.1263 21.739   2.0253  47.945  4.6611 44.428  4.1677 3.516178       6.252699 
1 1 1 15 24 33 o 26.362  5.6580 7.9813   2.2915  28.066  8.1594 24.659  7.8405 3.407574       11.31594 
1 1 1 15 24 35 o 24.092  5.1426 6.6192   1.8623  24.243  7.9703 23.940  6.5009 0.3035507      10.28529 
1 1 1 15 24 37 o 43.624  3.5181 20.546   2.1347  46.685  4.3766 40.562  5.5094 6.122650       7.036232 
1 1 1 15 24 39 o 16.594  5.0025 1.0855   2.0993  14.252  6.4579 18.937  7.6417 -4.685872      10.00497 
1 1 1 15 24 41 o 19.231  5.2263 4.1213   2.0897  17.284  7.4148 21.179  7.3673 -3.895622      10.45259 
1 1 1 15 25 0  o 52.074  3.2132 27.456   3.3202  52.074  3.2132 ?       ?      0.000000       0.000000 
1 1 1 15 25 2  o 59.542  2.6538 35.541   2.2329  60.234  3.8162 58.850  3.6889 1.383739       5.307658 
1 1 1 15 25 4  o 102.237 1.7434 104.330  2.5120  105.695 2.5372 98.779  2.3917 6.915665       3.486774 
1 1 1 15 25 6  o 169.782 1.8485 288.692  4.4374  168.783 2.6481 170.780 2.5797 -1.996582      3.696951 
1 1 1 15 25 8  o 62.617  2.4434 38.440   2.0013  65.587  4.0888 59.646  2.6762 5.940948       4.886742 
1 1 1 15 25 10 o 67.120  2.0932 45.099   1.9608  67.440  3.2191 66.800  2.6764 0.6399689      4.186325 
1 1 1 15 25 12 o 75.685  1.9422 57.328   2.0629  76.306  2.9287 75.064  2.5518 1.242111       3.884470 
1 1 1 15 25 14 o 75.915  2.0364 57.792   2.1409  75.850  3.1988 75.981  2.5210 -0.1309509     4.072871 
1 1 1 15 25 16 o 25.004  4.8065 6.5894   1.8389  20.726  7.9276 29.281  5.4370 -8.555437      9.612910 
1 1 1 15 25 18 o 113.986 1.8234 130.836  2.8627  112.072 2.9056 115.899 2.2036 -3.827171      3.646724 
1 1 1 15 25 20 o 132.314 1.8814 174.602  3.4549  135.757 2.9160 128.872 2.3782 6.885361       3.762857 
1 1 1 15 25 22 o 118.162 1.9914 140.049  3.3006  118.695 3.0124 117.629 2.6055 1.066635       3.982896 
1 1 1 15 25 24 o 110.093 2.1385 122.210  3.3202  105.337 3.1520 114.849 2.8910 -9.511497      4.277001 
1 1 1 15 25 26 o 125.010 1.8791 156.986  3.3092  126.449 2.7772 123.570 2.5319 2.879196       3.758122 
1 1 1 15 25 28 o 63.858  2.5929 41.454   2.3196  62.895  3.9592 64.820  3.3491 -1.925331      5.185782 
1 1 1 15 25 30 o 108.882 1.8665 119.659  2.8719  108.963 2.5783 108.801 2.6995 0.1622620      3.732990 
1 1 1 15 25 32 o 26.219  5.0583 7.8484   1.9218  25.228  7.8103 27.209  6.4300 -1.981110      10.11662 
1 1 1 15 25 34 o 37.639  4.5685 15.923   2.1655  35.286  7.9688 39.992  4.4704 -4.706654      9.137064 
1 1 1 15 25 36 o 18.768  5.2729 3.0300   2.0897  18.792  7.6880 18.744  7.2188 0.4806137E-01  10.54590 
1 1 1 15 25 38 o 23.653  5.3376 6.7171   2.2275  18.753  7.7512 28.553  7.3402 -9.799232      10.67515 
1 1 1 15 25 40 o 20.092  5.1329 4.9998   1.8787  19.556  7.3924 20.628  7.1231 -1.071688      10.26577 
1 1 1 15 26 1  f 112.202 1.9518 126.111  3.0964  112.460 2.7253 111.944 2.7949 0.5160370      3.903610 
1 1 1 15 26 3  o 91.359  2.0510 83.613   2.6494  89.964  2.9099 92.755  2.8912 -2.791374      4.102021 
1 1 1 15 26 5  o 165.467 1.9381 274.365  4.5334  162.747 2.7855 168.188 2.6954 -5.440903      3.876152 
1 1 1 15 26 7  o 135.081 1.8236 182.908  3.4772  133.680 2.6748 136.482 2.4795 -2.801743      3.647241 
1 1 1 15 26 9  o 143.505 1.8877 206.335  3.8300  144.123 2.7025 142.887 2.6365 1.235947       3.775497 
1 1 1 15 26 11 o 80.937  1.9369 65.983   2.1987  77.851  2.9526 84.022  2.5077 -6.170853      3.873817 
1 1 1 15 26 13 o 55.533  2.6971 30.564   1.9332  57.068  4.5872 53.998  2.8379 3.070774       5.394126 
1 1 1 15 26 15 f 52.591  2.5311 27.666   1.8701  54.510  3.7483 50.671  3.4022 3.839066       5.062109 
1 1 1 15 26 17 o 150.459 1.8864 225.759  3.8985  153.630 2.9924 147.288 2.2976 6.342117       3.772712 
1 1 1 15 26 19 o 163.919 2.1446 270.933  4.8493  161.133 3.4078 166.705 2.6045 -5.572601      4.289148 
1 1 1 15 26 21 o 158.262 1.9575 250.805  4.3344  160.960 2.9751 155.563 2.5448 5.397217       3.915008 
1 1 1 15 26 23 o 40.031  4.0350 17.265   1.9921  36.237  7.1258 43.825  3.7880 -7.587955      8.070040 
1 1 1 15 26 25 o 26.144  5.8344 7.1330   2.4545  29.194  8.3342 23.094  8.1672 6.099422       11.66885 
1 1 1 15 26 27 f 35.905  4.1333 13.692   1.9865  34.318  6.7526 37.492  4.7685 -3.174812      8.266511 
1 1 1 15 26 29 o 46.955  3.5712 23.210   2.2348  44.833  5.9816 49.077  3.9030 -4.244392      7.142346 
1 1 1 15 26 31 f 30.541  4.8872 10.560   2.0707  33.957  6.6297 27.126  7.1824 6.830460       9.774431 
1 1 1 15 26 33 o 41.917  3.7310 18.869   2.0585  40.430  6.3172 43.405  3.9718 -2.975384      7.462047 
1 1 1 15 26 35 f 70.704  2.3302 51.136   2.2951  73.764  3.5490 67.643  3.0206 6.120987       4.660379 
1 1 1 15 26 37 o 20.179  5.6056 4.1937   2.3735  19.191  8.0585 21.167  7.7944 -1.976568      11.21127 
1 1 1 15 26 39 o 46.541  4.4254 25.811   2.9048  44.935  6.5364 48.147  5.9677 -3.212231      8.850840 
1 1 1 15 27 0  o 62.425  3.7094 39.460   4.5972  62.425  3.7094 ?       ?      0.000000       0.000000 
1 1 1 15 27 2  o 83.774  2.0521 70.404   2.4196  84.242  2.7286 83.305  3.0659 0.9372406      4.104217 
1 1 1 15 27 4  o 69.938  2.4495 49.148   2.3429  69.671  3.9408 70.204  2.9104 -0.5334549     4.898973 
1 1 1 15 27 6  o 143.620 1.9225 207.156  3.8907  140.629 2.8604 146.611 2.5695 -5.981033      3.845042 
1 1 1 15 27 8  o 270.396 2.2482 734.147  8.5783  268.628 3.3039 272.165 3.0498 -3.536987      4.496363 
1 1 1 15 27 10 o 265.093 2.4363 705.481  9.1145  267.066 3.5623 263.119 3.3245 3.946899       4.872641 
1 1 1 15 27 12 o 44.759  3.4880 20.705   2.1347  39.533  5.6529 49.985  4.0877 -10.45164      6.976021 
1 1 1 15 27 14 o 55.599  3.2650 31.338   2.4538  54.879  5.3520 56.318  3.7413 -1.439350      6.530046 
1 1 1 15 27 16 o 99.975  2.1377 100.259  2.9521  100.369 3.3716 99.581  2.6289 0.7880783      4.275403 
1 1 1 15 27 18 o 140.646 2.1124 198.781  4.0520  140.369 3.4116 140.922 2.4920 -0.5534058     4.224791 
1 1 1 15 27 20 o 91.921  2.0883 84.489   2.5844  93.412  3.4177 90.429  2.4007 2.982239       4.176584 
1 1 1 15 27 22 o 27.936  5.8244 7.9556   2.7595  21.542  8.7939 34.329  7.6395 -12.78621      11.64882 
1 1 1 15 27 24 o 63.394  2.7287 40.165   2.3188  65.817  4.4626 60.972  3.1416 4.844967       5.457499 
1 1 1 15 27 26 o 60.740  3.3247 38.020   2.8324  59.280  5.0623 62.200  4.3114 -2.919735      6.649478 
1 1 1 15 27 28 o 22.129  5.2373 5.2127   1.8841  22.663  8.0519 21.595  6.6997 1.067450       10.47466 
1 1 1 15 27 30 o 22.611  5.0941 5.7157   1.8318  22.167  7.6187 23.055  6.7643 -0.8874664     10.18828 
1 1 1 15 27 32 o 19.221  5.2414 3.3801   2.0253  18.788  7.6168 19.655  7.2023 -0.8667660     10.48278 
1 1 1 15 27 34 o 17.676  5.2638 1.8134   2.2056  19.193  7.9469 16.159  6.9047 3.034325       10.52750 
1 1 1 15 27 36 o 40.583  3.4617 17.899   1.9608  40.786  5.3228 40.380  4.4275 0.4057846      6.923479 
1 1 1 15 27 38 o 19.705  5.6285 4.2074   2.3188  23.366  8.9543 16.045  6.8222 7.320665       11.25707 
1 1 1 15 28 1  o 72.515  2.3623 52.851   2.3429  72.778  2.8074 72.251  3.8000 0.5272217      4.724614 
1 1 1 15 28 3  o 135.866 1.7621 185.082  3.3829  136.718 2.4285 135.014 2.5537 1.703888       3.524104 
1 1 1 15 28 5  o 50.503  3.0452 25.952   2.1156  48.380  4.8831 52.626  3.6398 -4.246109      6.090419 
1 1 1 15 28 7  o 22.712  5.6297 4.5689   2.2915  20.611  8.0856 24.814  7.8355 -4.203423      11.25933 
1 1 1 15 28 9  o 25.915  5.0509 6.6896   2.0629  32.739  7.0284 19.090  7.2558 13.64895       10.10174 
1 1 1 15 28 11 o 48.542  3.8454 25.139   2.4081  42.144  6.6663 54.939  3.8353 -12.79545      7.690786 
1 1 1 15 28 13 o 41.247  3.7484 17.365   2.0813  40.235  6.1891 42.260  4.2305 -2.024963      7.496799 
1 1 1 15 28 15 o 79.269  2.6473 63.120   2.9605  76.721  3.6619 81.817  3.8240 -5.095711      5.294562 
1 1 1 15 28 17 o 64.163  3.4845 43.017   2.5681  61.274  6.3565 67.052  2.8568 -5.777534      6.968925 
1 1 1 15 28 19 o 111.447 2.2626 125.180  3.2162  111.184 3.9051 111.710 2.2863 -0.5252838     4.525130 
1 1 1 15 28 21 o 55.980  2.9737 32.127   2.2348  54.409  4.9288 57.550  3.3284 -3.140858      5.947386 
1 1 1 15 28 23 o 34.698  4.8183 12.813   2.2348  34.796  7.8877 34.600  5.5361 0.1952057      9.636564 
1 1 1 15 28 25 o 15.977  5.0688 -2.0678  2.4312  15.407  7.2371 16.547  7.0989 -1.140106      10.13754 
1 1 1 15 28 27 o 43.166  3.9107 19.102   2.2714  47.079  6.2387 39.253  4.7172 7.825428       7.821351 
1 1 1 15 28 29 o 39.469  3.8137 16.491   2.0374  40.200  6.1944 38.738  4.4503 1.462006       7.627344 
1 1 1 15 28 31 f 29.731  4.4374 10.408   1.9155  38.590  4.9638 20.873  7.3569 17.71719       8.874884 
1 1 1 15 28 33 o 20.265  5.1045 4.5475   1.8398  19.785  7.6714 20.744  6.7361 -0.9587517     10.20910 
1 1 1 15 28 35 o 15.184  4.9024 -0.7557  2.2042  16.538  7.5888 13.830  6.2085 2.707763       9.804898 
1 1 1 15 28 37 o 48.995  3.6112 27.003   2.3650  49.115  5.9801 48.875  4.0499 0.2398643      7.222406 
1 1 1 15 29 0  o 110.647 3.0636 122.976  6.7681  110.647 3.0636 ?       ?      0.000000       0.000000 
1 1 1 15 29 2  o 62.067  2.9546 38.919   2.5855  64.285  3.9730 59.848  4.3742 4.436054       5.909141 
1 1 1 15 29 4  o 41.165  3.7914 17.162   2.1913  41.357  5.7124 40.972  4.9868 0.3847351      7.582850 
1 1 1 15 29 6  o 51.296  3.3133 25.295   2.2902  59.011  5.0855 43.582  4.2487 15.42841       6.626697 
1 1 1 15 29 8  o 64.713  2.9115 42.184   2.6186  64.807  4.5321 64.619  3.6560 0.1875534      5.822916 
1 1 1 15 29 10 o 37.362  4.5746 14.586   2.3196  35.207  7.3164 39.517  5.4936 -4.309967      9.149282 
1 1 1 15 29 12 o 74.341  2.6385 55.780   2.6051  73.892  4.4069 74.791  2.9027 -0.8987732     5.276975 
1 1 1 15 29 14 o 34.187  5.4312 12.340   2.5383  39.167  7.7752 29.206  7.5853 9.960894       10.86238 
1 1 1 15 29 16 f 23.863  5.6149 5.6717   2.1691  24.488  8.6037 23.239  7.2170 1.249189       11.22981 
1 1 1 15 29 18 o 68.677  3.2892 48.897   2.7347  66.336  5.8714 71.018  2.9669 -4.682251      6.578484 
1 1 1 15 29 20 o 71.004  2.5116 51.100   2.4312  70.773  4.0598 71.234  2.9579 -0.4611969     5.023112 
1 1 1 15 29 22 o 58.306  3.1970 34.886   2.4973  57.930  5.2905 58.681  3.5907 -0.7505569     6.393976 
1 1 1 15 29 24 o 54.656  3.1201 29.996   2.2407  57.936  5.1798 51.375  3.4799 6.560928       6.240191 
1 1 1 15 29 26 o 25.482  5.6580 6.8781   2.1213  30.719  8.9924 20.245  6.8695 10.47337       11.31607 
1 1 1 15 29 28 o 48.055  4.4692 25.373   2.2925  46.332  8.2929 49.778  3.3350 -3.446487      8.938326 
1 1 1 15 29 30 o 61.063  2.7168 38.625   2.2776  62.092  4.3190 60.035  3.2970 2.057327       5.433580 
1 1 1 15 29 32 o 37.839  4.5628 17.367   2.1469  31.079  8.1265 44.600  4.1517 -13.52153      9.125594 
1 1 1 15 29 34 o 29.321  4.7883 10.603   1.9469  28.810  6.9421 29.832  6.5968 -1.022394      9.576554 
1 1 1 15 29 36 o 31.663  5.6253 13.583   2.4312  32.929  8.9009 30.397  6.8810 2.532448       11.25052 
1 1 1 15 30 1  o 63.048  2.9388 39.983   2.6116  59.124  4.2118 66.973  4.0995 -7.849716      5.877515 
1 1 1 15 30 3  o 54.132  3.0927 29.212   2.3003  56.412  4.8670 51.852  3.8173 4.559536       6.185418 
1 1 1 15 30 5  o 23.986  6.0006 5.2645   2.5397  23.862  8.7676 24.109  8.1948 -0.2465591     12.00111 
1 1 1 15 30 7  o 154.050 2.2700 237.069  4.7971  157.521 3.6076 150.579 2.7562 6.942062       4.539969 
1 1 1 15 30 9  o 222.976 2.1399 500.304  6.7179  222.206 3.1896 223.747 2.8537 -1.540741      4.279828 
1 1 1 15 30 11 o 221.934 2.3697 496.411  7.3400  221.589 3.0256 222.279 3.6481 -0.6900635     4.739494 
1 1 1 15 30 13 o 142.047 2.1511 203.344  4.2008  141.467 3.4302 142.626 2.5965 -1.158371      4.302130 
1 1 1 15 30 15 o 123.469 2.0803 153.910  3.5734  122.189 3.2398 124.750 2.6103 -2.560097      4.160563 
1 1 1 15 30 17 o 58.608  3.3959 36.342   2.4294  54.800  6.0588 62.415  3.0690 -7.614635      6.791705 
1 1 1 15 30 19 o 65.962  2.8593 44.194   2.4121  66.175  4.9208 65.748  2.9134 0.4270325      5.718596 
1 1 1 15 30 21 o 34.668  4.8256 13.588   2.0358  30.987  8.7076 38.350  4.1624 -7.363363      9.651256 
1 1 1 15 30 23 f 36.962  5.1351 15.219   2.3609  36.162  9.0240 37.761  4.9036 -1.598980      10.27029 
1 1 1 15 30 25 o 40.151  5.0015 18.578   2.5633  36.463  8.6912 43.839  4.9520 -7.376381      10.00298 
1 1 1 15 30 27 o 17.940  5.6845 0.3523   2.3280  22.652  9.6827 13.227  5.9581 9.424874       11.36896 
1 1 1 15 30 29 o 31.515  5.6761 12.029   2.4247  31.893  9.2634 31.138  6.5622 0.7549438      11.35220 
1 1 1 15 30 31 o 24.868  6.1746 8.0181   2.6952  24.242  9.0399 25.493  8.4134 -1.251507      12.34926 
1 1 1 15 30 33 o 23.147  6.0939 7.3413   2.6728  22.563  9.1216 23.732  8.0833 -1.169296      12.18786 
1 1 1 15 30 35 o 13.011  4.3725 -2.5916  2.1033  13.885  6.6291 12.138  5.7036 1.747175       8.745096 
1 1 1 15 31 0  o 42.890  6.1498 19.283   5.1080  42.890  6.1498 ?       ?      0.000000       0.000000 
1 1 1 15 31 2  o 42.696  3.8634 18.627   2.3301  44.179  5.3475 41.213  5.5774 2.965733       7.726794 
1 1 1 15 31 4  o 63.974  2.8593 41.366   2.5824  61.108  4.0750 66.840  4.0122 -5.731689      5.718663 
1 1 1 15 31 6  o 134.721 1.9799 182.727  3.7661  132.196 2.8980 137.246 2.6983 -5.050293      3.959709 
1 1 1 15 31 8  o 103.362 2.0967 107.313  3.0529  101.274 2.8371 105.451 3.0880 -4.177200      4.193493 
1 1 1 15 31 10 o 90.574  2.2178 82.621   2.8381  92.664  3.1696 88.484  3.1029 4.179909       4.435613 
1 1 1 15 31 12 o 66.094  3.2275 44.244   2.9344  67.546  5.1046 64.642  3.9510 2.904190       6.455032 
1 1 1 15 31 14 o 58.989  3.7345 35.696   2.7714  58.922  6.5018 59.056  3.6760 -0.1335220     7.469081 
1 1 1 15 31 16 o 120.867 2.1148 147.488  3.5847  121.793 3.1980 119.941 2.7682 1.852051       4.229651 
1 1 1 15 31 18 o 111.733 2.2469 126.844  3.4549  110.515 3.5821 112.952 2.7134 -2.436829      4.493744 
1 1 1 15 31 20 o 71.231  3.2512 53.462   2.8568  68.844  5.7503 73.618  3.0356 -4.773926      6.502388 
1 1 1 15 31 22 o 37.372  5.4254 15.692   2.4946  36.938  9.5954 37.807  5.0665 -0.8695755     10.85088 
1 1 1 15 31 24 o 22.338  5.6376 5.3102   2.2117  22.308  8.6318 22.368  7.2542 -0.5967140E-01 11.27527 
1 1 1 15 31 26 f 23.434  5.8925 5.7217   2.1560  28.902  9.7149 17.965  6.6712 10.93720       11.78495 
1 1 1 15 31 28 o 16.361  5.0322 0.4058   2.1377  16.364  7.6047 16.358  6.5924 0.5535126E-02  10.06434 
1 1 1 15 31 30 o 26.385  5.9342 9.0684   2.5524  29.719  8.4229 23.051  8.3615 6.668596       11.86846 
1 1 1 15 31 32 o 30.561  6.0314 13.233   2.7322  28.390  9.1292 32.732  7.8848 -4.341644      12.06290 
1 1 1 15 32 1  o 48.436  4.0060 24.020   2.7322  50.056  5.8676 46.815  5.4556 3.241390       8.011992 
1 1 1 15 32 3  o 113.055 2.2614 129.108  3.6005  111.711 3.3722 114.399 3.0140 -2.687424      4.522820 
1 1 1 15 32 5  o 127.889 2.2244 165.053  4.0226  129.112 3.1156 126.666 3.1757 2.446404       4.448823 
1 1 1 15 32 7  o 57.336  3.7367 32.947   2.9116  61.481  5.9197 53.191  4.5615 8.289913       7.473337 
1 1 1 15 32 9  o 43.756  4.8473 20.055   2.6516  44.275  8.3807 43.237  4.8733 1.038502       9.694592 
1 1 1 15 32 11 o 20.659  6.0793 1.2331   2.8698  25.070  9.7495 16.249  7.2650 8.820620       12.15860 
1 1 1 15 32 13 o 30.267  5.7361 10.182   2.6163  35.910  7.6906 24.624  8.5127 11.28622       11.47218 
1 1 1 15 32 15 o 50.906  3.2426 25.040   2.1899  59.270  5.0632 42.543  4.0523 16.72692       6.485179 
1 1 1 15 32 17 o 24.998  5.7368 6.8765   2.3762  22.735  9.0964 27.262  6.9928 -4.526890      11.47366 
1 1 1 15 32 19 o 32.622  5.4660 12.573   2.4437  28.335  9.5263 36.910  5.3627 -8.574436      10.93202 
1 1 1 15 32 21 o 40.394  5.0524 18.242   2.6714  40.868  8.4124 39.920  5.5981 0.9476700      10.10483 
1 1 1 15 32 23 o 28.587  5.3325 9.1223   1.9988  32.908  8.6262 24.265  6.2715 8.643223       10.66500 
1 1 1 15 32 25 o 24.493  6.0905 7.0023   2.4248  25.745  9.8129 23.242  7.2168 2.502424       12.18090 
1 1 1 15 32 27 o 39.362  4.6204 17.994   2.1899  37.401  8.2455 41.324  4.1718 -3.922970      9.240820 
1 1 1 15 32 29 o 40.876  5.2205 20.265   2.7505  41.973  8.8007 39.779  5.6180 2.194462       10.44099 
1 1 1 15 32 31 o 29.153  5.9373 12.184   2.5855  27.876  8.4399 30.430  8.3529 -2.554018      11.87450 
1 1 1 15 33 0  o 41.075  11.508 21.326   8.1729  41.075  11.508 ?       ?      0.000000       0.000000 
1 1 1 15 33 2  o 51.643  4.3949 27.180   3.1331  56.884  6.6226 46.402  5.7793 10.48185       8.789726 
1 1 1 15 33 4  o 36.829  6.7980 14.243   3.1326  41.898  11.423 31.759  7.3731 10.13937       13.59594 
1 1 1 15 33 6  o 76.209  2.8749 59.268   3.0964  75.272  4.1565 77.147  3.9727 -1.874771      5.749701 
1 1 1 15 33 8  o 29.741  5.6978 9.8678   2.4379  30.124  8.5210 29.357  7.5666 0.7668686      11.39563 
1 1 1 15 33 10 o 41.581  4.7566 18.375   2.6832  34.877  7.2022 48.284  6.2152 -13.40685      9.513206 
1 1 1 15 33 12 o 39.012  5.7563 17.187   3.0016  37.846  9.5984 40.177  6.3569 -2.331581      11.51253 
1 1 1 15 33 14 o 47.504  4.0337 24.232   2.5182  45.736  6.8407 49.272  4.2764 -3.535576      8.067424 
1 1 1 15 33 16 o 49.541  4.3035 26.189   2.6859  49.468  7.4863 49.614  4.2469 -0.1458893     8.607075 
1 1 1 15 33 18 o 86.464  2.6110 75.745   3.0891  91.650  4.1104 81.279  3.2208 10.37029       5.221994 
1 1 1 15 33 20 o 49.333  4.4344 26.903   2.7372  47.570  7.7849 51.096  4.2487 -3.525856      8.868836 
1 1 1 15 33 22 o 14.899  4.9025 -2.3506  2.2545  16.031  7.6820 13.768  6.0930 2.262521       9.805002 
1 1 1 15 33 24 o 29.657  6.0567 11.169   2.5659  29.561  9.9000 29.752  6.9803 -0.1906815     12.11343 
1 1 1 15 33 26 o 41.586  4.3664 19.737   2.3188  40.845  7.4686 42.326  4.5256 -1.481041      8.732741 
1 1 1 15 33 28 o 30.541  6.4543 14.149   3.1452  26.174  10.716 34.907  7.1967 -8.733152      12.90852 
1 1 1 15 33 30 f 30.835  7.0877 14.867   3.1914  36.152  11.488 25.517  8.3048 10.63507       14.17545 
1 1 1 15 34 1  f 61.408  3.0590 38.787   2.6494  59.361  4.5176 63.456  4.1255 -4.094543      6.117916 
1 1 1 15 34 3  o 58.077  3.0815 34.769   2.5217  55.747  4.5814 60.406  4.1224 -4.659004      6.163070 
1 1 1 15 34 5  o 34.424  4.7629 13.089   2.2348  33.767  6.8569 35.080  6.6125 -1.313122      9.525880 
1 1 1 15 34 7  o 20.006  5.8138 2.5248   2.5633  20.956  8.8052 19.057  7.5940 1.899475       11.62752 
1 1 1 15 34 9  o 19.180  5.7078 1.5678   2.6402  20.971  8.5261 17.388  7.5910 3.582811       11.41564 
1 1 1 15 34 11 o 30.527  6.2715 10.965   2.7825  32.215  9.7073 28.839  7.9433 3.376665       12.54304 
1 1 1 15 34 13 f 20.335  5.7698 3.2256   2.4720  20.663  8.7493 20.007  7.5240 0.6553440      11.53954 
1 1 1 15 34 15 o 55.389  3.7338 32.917   2.4946  53.567  6.6750 57.211  3.3481 -3.644234      7.467669 
1 1 1 15 34 17 o 89.174  2.3851 81.123   2.8451  91.002  3.9292 87.346  2.7047 3.656677       4.770100 
1 1 1 15 34 19 o 59.277  3.5530 37.757   2.4689  57.663  6.4223 60.891  3.0409 -3.227943      7.105905 
1 1 1 15 34 21 o 45.809  5.0735 22.115   2.4882  50.176  9.2551 41.442  4.1599 8.734207       10.14702 
1 1 1 15 34 23 o 22.259  6.2422 5.5487   2.7785  24.919  9.7374 19.599  7.8128 5.320681       12.48431 
1 1 1 15 34 25 o 42.387  5.4723 22.496   2.5952  39.865  10.079 44.908  4.2654 -5.042641      10.94458 
1 1 1 15 34 27 o 28.341  6.5666 11.981   2.8200  29.832  10.646 26.849  7.6898 2.983728       13.13313 
1 1 1 15 35 0  o 26.014  10.857 10.344   5.6188  26.014  10.857 ?       ?      0.000000       0.000000 
1 1 1 15 35 2  o 26.126  5.9696 7.7914   2.4538  27.239  9.1373 25.013  7.6847 2.226030       11.93922 
1 1 1 15 35 4  o 30.360  5.9343 10.650   2.5848  34.161  8.8881 26.559  7.8655 7.602089       11.86860 
1 1 1 15 35 6  o 31.677  5.6240 12.071   2.8483  23.386  9.4691 39.969  6.0706 -16.58264      11.24795 
1 1 1 15 35 8  o 41.103  5.2300 19.334   2.7583  39.105  8.9984 43.101  5.3331 -3.996082      10.46005 
1 1 1 15 35 10 o 91.892  2.5885 87.169   3.3372  91.076  3.9260 92.709  3.3747 -1.632576      5.177082 
1 1 1 15 35 12 o 68.107  3.1468 48.267   3.0057  70.804  4.6893 65.409  4.1975 5.394478       6.293568 
1 1 1 15 35 14 o 22.749  5.6504 5.4624   2.4966  18.937  8.2558 26.561  7.7169 -7.623465      11.30080 
1 1 1 15 35 16 o 44.145  4.2767 21.258   2.5633  45.346  6.8996 42.944  5.0552 2.401352       8.553314 
1 1 1 15 35 18 o 49.873  4.2580 27.798   2.9275  49.004  6.7754 50.742  5.1592 -1.737808      8.516010 
1 1 1 15 35 20 o 26.236  6.1703 8.7711   2.5360  25.489  10.266 26.983  6.8481 -1.493992      12.34053 
1 1 1 15 35 22 o 17.540  5.3892 -0.9986  2.8656  15.367  7.5771 19.713  7.6656 -4.345330      10.77841 
1 1 1 15 35 24 o 23.701  6.4168 7.9541   2.9586  23.248  9.9680 24.154  8.0833 -0.9064980     12.83362 
1 1 1 15 35 26 o 24.031  6.5128 9.0459   2.9410  25.435  10.160 22.627  8.1505 2.808273       13.02552 
1 1 1 15 36 1  o 54.203  3.9015 31.567   2.9660  56.856  5.0535 51.550  5.9453 5.306446       7.802904 
1 1 1 15 36 3  o 41.550  5.3822 19.746   3.0169  40.967  8.6811 42.133  6.3649 -1.165745      10.76441 
1 1 1 15 36 5  o 19.516  5.5169 2.2004   2.4885  22.915  8.2594 16.118  7.3162 6.797684       11.03377 
1 1 1 15 36 7  o 21.879  6.2367 4.3899   2.8451  23.457  9.5912 20.302  7.9747 3.155060       12.47341 
1 1 1 15 36 9  o 18.260  5.7020 0.5108   2.8880  18.185  8.1860 18.335  7.9398 -0.1499977     11.40399 
1 1 1 15 36 11 o 41.654  5.4901 21.084   2.9573  36.382  9.5365 46.926  5.4426 -10.54364      10.98030 
1 1 1 15 36 13 o 36.096  5.4910 15.631   2.6505  34.703  9.2233 37.490  5.9610 -2.786407      10.98194 
1 1 1 15 36 15 o 20.589  6.2412 2.4365   2.9422  25.986  10.396 15.193  6.9081 10.79336       12.48233 
1 1 1 15 36 17 o 33.051  6.1272 14.572   2.9110  30.091  9.8079 36.011  7.3467 -5.919846      12.25434 
1 1 1 15 36 19 o 17.187  5.4208 0.8443   2.5480  18.222  8.3115 16.152  6.9614 2.070477       10.84165 
1 1 1 15 36 21 o 18.507  5.8982 1.7422   2.8733  22.264  9.6837 14.749  6.7365 7.514704       11.79636 
1 1 1 15 36 23 o 21.836  6.4867 6.4884   2.8410  25.245  10.684 18.427  7.3597 6.817429       12.97333 
1 1 1 15 37 0  o 20.059  10.325 6.8958   5.2357  20.059  10.325 ?       ?      0.000000       0.000000 
1 1 1 15 37 2  o 29.378  6.2212 10.764   2.9660  35.380  8.7094 23.375  8.8859 12.00540       12.44238 
1 1 1 15 37 4  o 33.621  6.1138 14.072   2.8483  33.885  9.6867 33.358  7.4619 0.5268288      12.22754 
1 1 1 15 37 6  o 36.358  5.3186 15.595   2.6952  42.234  6.9544 30.483  8.0491 11.75074       10.63728 
1 1 1 15 37 8  o 18.777  5.7673 1.6386   2.7606  19.907  8.7273 17.646  7.5419 2.261112       11.53458 
1 1 1 15 37 10 o 19.351  5.8674 1.3093   2.7785  24.548  9.6973 14.155  6.6081 10.39271       11.73476 
1 1 1 15 37 12 o 18.641  5.5184 0.4367   2.8451  15.456  7.4820 21.826  8.1137 -6.369888      11.03686 
1 1 1 15 37 14 o 30.126  6.4677 12.224   2.9344  32.971  9.7710 27.281  8.4767 5.689671       12.93546 
1 1 1 15 37 16 o 25.135  6.3638 8.8719   2.8568  24.039  9.9906 26.231  7.8854 -2.192585      12.72760 
1 1 1 15 37 18 o 20.218  6.0444 4.4860   2.8918  21.561  9.1598 18.875  7.8892 2.685757       12.08889 
1 1 1 15 37 20 o 33.748  5.6808 15.142   2.4628  35.254  9.5459 32.241  6.1615 3.013103       11.36169 
1 1 1 15 38 1  f 56.497  4.2337 35.882   3.3732  58.125  6.1516 54.869  5.8185 3.256424       8.467389 
1 1 1 15 38 3  o 82.630  3.2249 73.336   3.7628  82.923  4.6970 82.336  4.4203 0.5876617      6.449830 
1 1 1 15 38 5  o 58.457  3.6662 37.324   3.0164  62.076  5.2458 54.838  5.1232 7.238079       7.332476 
1 1 1 15 38 7  o 31.703  5.6820 12.926   2.5855  35.084  7.4989 28.322  8.5387 6.761496       11.36409 
1 1 1 15 38 9  o 45.169  5.0534 25.145   2.9605  36.827  8.6360 53.510  5.2503 -16.68240      10.10676 
1 1 1 15 38 11 o 39.371  5.5275 19.649   2.8918  41.288  8.6311 37.454  6.9079 3.833420       11.05506 
1 1 1 15 38 13 o 14.988  4.9804 -2.1709  2.6270  15.967  7.4952 14.008  6.5604 1.958809       9.960823 
1 1 1 15 38 15 o 19.195  5.8124 3.5988   2.7862  17.364  7.6330 21.026  8.7678 -3.662462      11.62482 
1 1 1 15 38 17 o 19.269  6.1146 3.5510   3.1211  21.207  9.6767 17.331  7.4777 3.876249       12.22922 
1 1 1 15 39 0  o 19.840  10.817 7.6621   6.0019  19.840  10.817 ?       ?      0.000000       0.000000 
1 1 1 15 39 2  o 17.976  5.7811 0.5196   3.2514  17.087  7.9927 18.866  8.3548 -1.778858      11.56221 
1 1 1 15 39 4  o 17.952  5.6809 1.4116   2.9687  17.564  7.9557 18.339  8.1116 -0.7746964     11.36184 
1 1 1 15 39 6  o 24.260  6.5915 7.9079   3.4014  29.652  10.170 18.869  8.3877 10.78237       13.18296 
1 1 1 15 39 8  o 32.778  6.7113 15.462   3.1434  38.239  10.409 27.318  8.4744 10.92159       13.42268 
1 1 1 15 39 10 o 45.606  5.0567 27.212   2.8627  36.512  8.9710 54.700  4.6691 -18.18772      10.11331 
1 1 1 15 39 12 o 30.534  6.2258 14.923   3.2106  23.864  10.090 37.203  7.2968 -13.33920      12.45158 
1 1 1 15 40 1  o 16.896  5.4342 0.8738   2.8238  17.458  7.9486 16.334  7.4124 1.124403       10.86849 
1 1 1 15 40 3  o 17.578  5.5985 1.6003   2.9140  17.601  8.1977 17.555  7.6270 0.4573822E-01  11.19704 
1 1 1 15 40 5  o 20.147  6.2149 4.8563   3.2643  21.025  9.3151 19.270  8.2297 1.755285       12.42981 
1 1 1 16 1  1  o 387.316 2.7226 1500.53  14.904  388.051 3.7680 386.581 3.9310 1.469971       5.445221 
1 1 1 16 1  3  o 948.283 5.7328 9000.45  76.871  946.468 8.1899 950.097 8.0242 -3.629395      11.46565 
1 1 1 16 1  5  o 837.897 4.9735 7025.54  58.933  835.761 7.0286 840.033 7.0385 -4.271179      9.946937 
1 1 1 16 1  7  o 416.692 2.8662 1736.58  16.881  417.938 4.1249 415.445 3.9806 2.493042       5.732385 
1 1 1 16 1  9  o 452.134 3.0376 2045.53  19.397  449.898 4.4280 454.369 4.1596 -4.470734      6.075262 
1 1 1 16 1  11 o 362.515 2.5914 1314.63  13.273  362.054 3.7564 362.975 3.5709 -0.9209900     5.182863 
1 1 1 16 1  13 o 201.228 1.7188 405.135  4.8743  200.513 2.5475 201.944 2.3081 -1.431061      3.437597 
1 1 1 16 1  15 o 452.579 2.9831 2048.73  18.978  453.923 4.4731 451.236 3.9479 2.687286       5.966110 
1 1 1 16 1  17 o 101.664 1.4266 103.320  2.0253  101.383 1.8264 101.945 2.1921 -0.5621109     2.853272 
1 1 1 16 1  19 o 164.506 1.5771 271.385  3.5991  166.412 1.9568 162.599 2.4739 3.812424       3.154269 
1 1 1 16 1  21 o 223.550 1.7568 499.753  5.4564  223.160 2.2031 223.940 2.7372 -0.7800598     3.513678 
1 1 1 16 1  23 o 296.611 2.2998 880.929  9.6410  301.090 3.1810 292.132 3.3222 8.958557       4.599535 
1 1 1 16 1  25 o 179.111 1.5949 320.897  3.9861  178.888 2.0345 179.334 2.4567 -0.4456482     3.189756 
1 1 1 16 1  27 o 96.261  1.4774 92.691   2.0108  95.598  2.0705 96.923  2.1081 -1.325127      2.954823 
1 1 1 16 1  29 o 170.322 1.7986 290.891  4.2813  172.134 2.2998 168.510 2.7660 3.623734       3.597230 
1 1 1 16 1  31 o 189.439 1.8806 360.310  4.9877  192.592 2.4202 186.286 2.8791 6.306519       3.761223 
1 1 1 16 1  33 o 151.863 1.8226 230.165  3.5413  150.926 1.8615 152.801 3.1340 -1.875214      3.645136 
1 1 1 16 1  35 o 39.317  3.3430 15.700   1.7744  40.335  3.7992 38.299  5.5016 2.035847       6.685977 
1 1 1 16 1  37 o 68.506  2.4881 47.202   2.1727  68.643  2.5115 68.369  4.2960 0.2745209      4.976269 
1 1 1 16 1  39 o 22.085  4.9195 4.9070   1.6861  21.630  6.3672 22.540  7.5010 -0.9099655     9.839005 
1 1 1 16 1  41 o 44.454  3.2006 20.549   1.9344  48.745  3.6677 40.163  5.2463 8.582329       6.401212 
1 1 1 16 1  43 o 41.327  3.1642 17.683   1.8147  44.235  3.8972 38.418  4.9859 5.816895       6.328340 
1 1 1 16 1  45 o 39.117  4.3004 16.703   2.1454  40.591  4.4044 37.643  7.3875 2.948925       8.600799 
1 1 1 16 1  47 o 25.873  4.9193 7.7595   1.8830  29.212  6.5075 22.533  7.3790 6.679510       9.838588 
1 1 1 16 1  49 o 16.539  4.8205 1.1128   1.9702  18.577  6.9261 14.500  6.7067 4.076928       9.641093 
1 1 1 16 1  51 f 26.327  5.0668 8.9244   1.9218  26.661  6.5130 25.993  7.7635 0.6675701      10.13365 
1 1 1 16 2  0  o 622.531 5.5293 3877.13  68.831  622.531 5.5293 ?       ?      0.000000       0.000000 
1 1 1 16 2  2  o 353.322 2.5747 1248.26  12.862  357.125 3.6652 349.519 3.6171 7.605988       5.149468 
1 1 1 16 2  4  o 389.722 2.6186 1518.96  14.423  390.687 3.7753 388.757 3.6298 1.929993       5.237152 
1 1 1 16 2  6  o 571.055 3.5979 3262.61  29.048  569.141 5.1606 572.969 5.0147 -3.828918      7.195782 
1 1 1 16 2  8  o 277.019 2.1191 767.610  8.3006  274.000 3.0294 280.039 2.9641 -6.038879      4.238283 
1 1 1 16 2  10 o 377.662 2.5898 1425.81  13.791  380.185 3.8124 375.139 3.5062 5.045227       5.179548 
1 1 1 16 2  12 o 680.300 4.1122 4632.77  39.552  676.338 5.9004 684.261 5.7294 -7.922668      8.224400 
1 1 1 16 2  14 f 334.816 2.3955 1122.91  11.250  337.866 3.1182 331.766 3.6374 6.100464       4.791034 
1 1 1 16 2  16 o 75.166  1.3871 56.524   1.4575  75.294  1.7808 75.038  2.1273 0.2566833      2.774280 
1 1 1 16 2  18 o 220.887 1.7402 489.731  5.3529  224.795 2.1871 216.979 2.7073 7.815765       3.480348 
1 1 1 16 2  20 o 77.171  1.4642 59.357   1.4855  76.555  1.5847 77.788  2.4625 -1.232834      2.928334 
1 1 1 16 2  22 o 209.039 1.7411 436.330  5.1065  206.328 2.2900 211.750 2.6234 -5.421494      3.482276 
1 1 1 16 2  24 o 252.719 2.0659 638.922  7.1591  252.357 2.4796 253.081 3.3050 -0.7232971     4.131763 
1 1 1 16 2  26 f 327.926 2.4300 1074.62  11.038  325.374 3.0221 330.477 3.8062 -5.103516      4.860018 
1 1 1 16 2  28 o 57.368  2.0656 32.348   1.5717  54.878  2.3270 59.858  3.4135 -4.979454      4.131176 
1 1 1 16 2  30 o 47.947  2.3542 22.953   1.5860  46.689  3.1454 49.204  3.5037 -2.515175      4.708442 
1 1 1 16 2  32 o 151.735 1.7011 229.912  3.5991  149.714 2.1751 153.756 2.6162 -4.042221      3.402272 
1 1 1 16 2  34 o 27.374  4.0432 7.9919   1.5218  31.882  4.4060 22.866  6.7807 9.015423       8.086465 
1 1 1 16 2  36 o 120.771 1.7673 145.565  2.8451  119.505 1.9769 122.036 2.9300 -2.531227      3.534505 
1 1 1 16 2  38 o 68.803  1.9272 47.395   1.7966  68.379  2.2410 69.228  3.1359 -0.8482742     3.854379 
1 1 1 16 2  40 o 24.845  4.6786 6.5778   1.6432  25.482  5.6613 24.208  7.4504 1.273899       9.357274 
1 1 1 16 2  42 o 64.695  2.3928 42.689   1.9832  65.993  2.4188 63.397  4.1293 2.596630       4.785620 
1 1 1 16 2  44 o 32.955  4.1531 11.883   1.7744  35.978  4.2593 29.933  7.1310 6.044863       8.306222 
1 1 1 16 2  46 o 17.712  4.7828 2.5221   1.6761  18.404  6.1737 17.019  7.3065 1.385210       9.565543 
1 1 1 16 2  48 o 40.230  3.6806 17.452   2.0511  40.797  4.5387 39.662  5.7955 1.134403       7.361218 
1 1 1 16 2  50 o 21.728  5.8872 5.4656   2.4519  20.876  7.5739 22.580  9.0152 -1.704506      11.77444 
1 1 1 16 2  52 o 18.683  5.3340 3.9952   2.1892  19.158  7.2634 18.207  7.8136 0.9514008      10.66809 
1 1 1 16 3  1  o 291.801 2.1352 851.340  8.8072  289.461 2.9779 294.142 3.0607 -4.681061      4.270359 
1 1 1 16 3  3  o 844.661 5.1441 7141.73  61.415  837.744 7.4235 851.578 7.1230 -13.83398      10.28816 
1 1 1 16 3  5  o 412.948 2.6733 1705.53  15.608  413.820 3.8265 412.076 3.7343 1.744629       5.346675 
1 1 1 16 3  7  o 220.425 1.9871 485.915  6.1928  224.350 2.7891 216.501 2.8312 7.849426       3.974290 
1 1 1 16 3  9  o 328.848 2.2655 1081.61  10.534  328.693 3.1664 329.002 3.2410 -0.3090820     4.531010 
1 1 1 16 3  11 o 351.496 2.5386 1234.40  12.179  350.150 3.0088 352.842 4.0897 -2.692322      5.077258 
1 1 1 16 3  13 o 201.841 1.6952 407.912  4.7951  203.268 2.1988 200.415 2.5806 2.852341       3.390328 
1 1 1 16 3  15 o 356.032 2.4764 1267.61  12.213  355.431 3.0719 356.633 3.8851 -1.201874      4.952823 
1 1 1 16 3  17 o 174.558 1.6665 303.798  4.0056  172.479 2.0361 176.637 2.6388 -4.158340      3.332977 
1 1 1 16 3  19 o 282.528 2.0356 798.132  7.9558  281.899 2.5142 283.157 3.2020 -1.258148      4.071112 
1 1 1 16 3  21 o 53.110  1.9485 29.049   1.3786  57.502  2.1098 48.718  3.2765 8.783249       3.897006 
1 1 1 16 3  23 o 89.790  1.6037 81.473   1.9052  92.002  1.7350 87.579  2.6975 4.423439       3.207342 
1 1 1 16 3  25 o 86.692  1.5989 75.425   1.9344  88.169  2.0277 85.215  2.4726 2.953415       3.197747 
1 1 1 16 3  27 o 66.536  1.5982 44.136   1.4835  67.779  2.4493 65.292  2.0536 2.486626       3.196315 
1 1 1 16 3  29 o 124.940 1.6994 155.719  2.9792  122.189 2.2470 127.691 2.5502 -5.501656      3.398896 
1 1 1 16 3  31 o 211.379 1.8900 447.582  5.5601  211.682 2.3829 211.076 2.9343 0.6063080      3.779962 
1 1 1 16 3  33 o 40.293  2.5229 16.252   1.4303  39.745  3.3736 40.840  3.7522 -1.094803      5.045855 
1 1 1 16 3  35 o 30.251  3.7085 9.0668   1.5116  24.931  5.2833 35.571  5.2056 -10.63984      7.416919 
1 1 1 16 3  37 f 52.678  2.7429 27.571   1.8973  51.186  2.9938 54.171  4.5969 -2.985107      5.485846 
1 1 1 16 3  39 o 80.829  2.0615 65.297   2.2566  79.707  2.4032 81.952  3.3502 -2.245018      4.123041 
1 1 1 16 3  41 o 60.779  2.3672 37.459   1.9865  62.100  2.8789 59.459  3.7585 2.640411       4.734400 
1 1 1 16 3  43 o 19.284  5.1097 2.9458   1.7618  15.693  6.1531 22.874  8.1593 -7.180568      10.21938 
1 1 1 16 3  45 o 12.366  4.0726 -2.3683  1.6253  11.596  5.2242 13.136  6.2491 -1.540306      8.145175 
1 1 1 16 3  47 o 33.656  4.9475 13.336   2.0523  37.115  4.3009 30.198  8.9115 6.917332       9.895058 
1 1 1 16 3  49 o 19.077  5.2904 3.5245   2.0354  17.595  6.9290 20.560  7.9963 -2.965567      10.58079 
1 1 1 16 3  51 f 39.911  5.1304 21.267   2.3609  47.964  3.8605 31.857  9.5069 16.10664       10.26086 
1 1 1 16 4  0  o 198.725 2.4106 395.107  9.5776  198.725 2.4106 ?       ?      0.000000       0.000000 
1 1 1 16 4  2  o 304.724 2.1411 928.729  9.2263  305.887 3.0058 303.561 3.0499 2.326141       4.282166 
1 1 1 16 4  4  o 402.856 2.6787 1622.99  15.254  400.829 3.7275 404.883 3.8479 -4.053711      5.357310 
1 1 1 16 4  6  o 191.256 1.5351 365.927  4.1503  194.544 2.1333 187.968 2.2080 6.576797       3.070220 
1 1 1 16 4  8  o 271.718 2.2070 737.442  8.3965  269.490 2.8669 273.946 3.3563 -4.455994      4.414035 
1 1 1 16 4  10 o 225.252 1.8969 508.368  5.8456  226.617 2.2540 223.886 3.0516 2.731384       3.793762 
1 1 1 16 4  12 f 734.323 4.6664 5391.43  47.085  730.595 5.6457 738.052 7.4314 -7.456848      9.332728 
1 1 1 16 4  14 o 413.116 2.7943 1706.91  15.992  412.484 3.4674 413.747 4.3828 -1.263000      5.588506 
1 1 1 16 4  16 o 170.577 1.5164 291.378  3.6115  171.740 1.9333 169.413 2.3367 2.326218       3.032802 
1 1 1 16 4  18 o 521.743 3.3755 2724.53  24.401  521.213 4.1896 522.274 5.2936 -1.061707      6.750959 
1 1 1 16 4  20 o 207.116 2.0179 428.075  5.4820  205.936 2.1703 208.296 3.4026 -2.359116      4.035825 
1 1 1 16 4  22 o 163.350 1.8139 268.713  4.0290  166.744 2.1061 159.957 2.9539 6.786575       3.627810 
1 1 1 16 4  24 o 67.496  1.5200 45.745   1.4189  68.540  1.8632 66.452  2.4021 2.088181       3.040007 
1 1 1 16 4  26 o 148.106 1.4850 219.472  3.0701  148.177 1.8960 148.035 2.2860 0.1418762      2.969947 
1 1 1 16 4  28 o 148.515 1.5999 220.441  3.3275  147.384 2.0795 149.645 2.4321 -2.261169      3.199876 
1 1 1 16 4  30 o 60.749  2.0503 37.022   1.7507  59.955  3.0884 61.542  2.6975 -1.587154      4.100595 
1 1 1 16 4  32 f 117.344 1.6191 137.947  2.6756  118.194 2.1609 116.495 2.4116 1.698860       3.238104 
1 1 1 16 4  34 o 54.779  1.9861 30.090   1.5218  54.964  2.5557 54.594  3.0408 0.3696136      3.972186 
1 1 1 16 4  36 o 72.683  2.0143 53.057   1.8973  72.911  2.1018 72.456  3.4368 0.4547806      4.028528 
1 1 1 16 4  38 o 62.514  2.6157 39.076   2.0523  61.904  2.5786 63.124  4.5518 -1.220318      5.231427 
1 1 1 16 4  40 o 14.854  4.5812 -0.2714  1.6761  13.142  5.6515 16.566  7.2117 -3.423064      9.162299 
1 1 1 16 4  42 o 29.681  4.3907 9.5274   1.7308  32.014  4.5872 27.347  7.4881 4.667173       8.781451 
1 1 1 16 4  44 o 25.746  5.1909 6.8320   1.9155  19.613  6.6000 31.880  8.0140 -12.26704      10.38189 
1 1 1 16 4  46 o 24.830  5.1224 7.1204   1.9052  26.283  6.1719 23.378  8.1771 2.905340       10.24486 
1 1 1 16 4  48 o 19.239  5.2148 3.4273   1.8784  16.126  6.3946 22.353  8.2393 -6.226789      10.42964 
1 1 1 16 4  50 o 15.144  4.6827 -0.4992  2.0587  16.892  6.8272 13.395  6.4110 3.496288       9.365477 
1 1 1 16 4  52 o 17.823  5.2635 2.8329   2.3188  19.099  7.2567 16.548  7.6261 2.550280       10.52698 
1 1 1 16 5  1  o 488.715 3.0717 2388.72  21.224  485.641 4.2993 491.790 4.3884 -6.148865      6.143411 
1 1 1 16 5  3  o 856.933 6.4015 7332.88  73.516  850.910 7.2411 862.957 10.558 -12.04645      12.80291 
1 1 1 16 5  5  o 407.950 2.8420 1664.48  15.951  407.762 3.4449 408.138 4.5212 -0.3760071     5.684085 
1 1 1 16 5  7  o 376.541 2.6376 1422.37  13.751  381.292 3.2487 371.791 4.1560 9.500854       5.275104 
1 1 1 16 5  9  o 623.360 4.0339 3890.63  34.554  624.634 4.8657 622.087 6.4355 2.546448       8.067857 
1 1 1 16 5  11 o 467.646 3.1760 2184.33  20.460  464.583 3.8757 470.710 5.0325 -6.126770      6.351943 
1 1 1 16 5  13 o 215.683 1.6792 465.439  4.9876  215.969 2.0400 215.396 2.6679 0.5729675      3.358435 
1 1 1 16 5  15 o 324.181 2.3197 1050.81  10.421  323.467 2.8820 324.894 3.6358 -1.426971      4.639431 
1 1 1 16 5  17 o 346.870 2.3872 1203.65  11.342  346.712 2.8545 347.027 3.8270 -0.3146057     4.774340 
1 1 1 16 5  19 o 302.508 2.1860 915.818  9.1708  302.822 2.7200 302.194 3.4229 0.6281128      4.372008 
1 1 1 16 5  21 o 141.995 1.5472 201.837  3.0806  142.651 2.0142 141.340 2.3491 1.311295       3.094393 
1 1 1 16 5  23 o 112.866 1.4737 127.176  2.2776  112.081 1.7660 113.651 2.3596 -1.570267      2.947303 
1 1 1 16 5  25 o 149.335 1.5180 222.414  3.1465  147.270 1.9077 151.401 2.3617 -4.130829      3.035919 
1 1 1 16 5  27 o 136.122 1.5683 185.014  2.9521  134.960 1.9397 137.284 2.4650 -2.323944      3.136698 
1 1 1 16 5  29 f 89.349  1.5618 79.124   1.8590  87.219  1.7570 91.478  2.5825 -4.258911      3.123528 
1 1 1 16 5  31 o 186.189 1.8108 347.321  4.7395  186.942 2.3909 185.436 2.7202 1.506104       3.621552 
1 1 1 16 5  33 o 77.172  1.6754 59.692   1.8057  77.595  2.1395 76.750  2.5790 0.8451691      3.350887 
1 1 1 16 5  35 o 77.492  2.0018 60.590   2.1540  79.818  2.4798 75.165  3.1430 4.652870       4.003531 
1 1 1 16 5  37 o 20.908  4.8754 4.2623   1.6770  21.460  6.5455 20.356  7.2273 1.104258       9.750830 
1 1 1 16 5  39 o 52.640  2.5939 28.278   1.8398  54.642  2.9213 50.638  4.2871 4.004135       5.187810 
1 1 1 16 5  41 o 55.699  3.0855 31.812   1.9857  56.673  2.5913 54.724  5.6005 1.948509       6.170907 
1 1 1 16 5  43 o 52.467  2.8896 27.216   1.9136  49.628  2.9592 55.307  4.9642 -5.679722      5.779271 
1 1 1 16 5  45 o 27.660  4.4694 8.6695   1.7145  30.466  5.4350 24.853  7.0967 5.613100       8.938821 
1 1 1 16 5  47 o 18.600  5.1725 2.8520   2.0123  19.258  6.8427 17.942  7.7586 1.316298       10.34498 
1 1 1 16 5  49 o 16.005  4.8738 0.9042   1.9052  13.334  5.9289 18.677  7.7372 -5.342842      9.747643 
1 1 1 16 5  51 f 22.662  5.7520 6.7083   2.1822  22.489  6.6441 22.836  9.3914 -0.3476334     11.50395 
1 1 1 16 6  0  o 321.543 2.9991 1034.25  19.283  321.543 2.9991 ?       ?      0.000000       0.000000 
1 1 1 16 6  2  o 399.159 3.1333 1593.87  17.686  398.022 4.4597 400.295 4.4024 -2.272461      6.266576 
1 1 1 16 6  4  o 508.509 3.6257 2584.72  25.864  505.432 4.7499 511.585 5.4791 -6.152496      7.251397 
1 1 1 16 6  6  o 291.612 2.1291 848.135  8.5377  288.641 2.5882 294.582 3.3813 -5.941010      4.258129 
1 1 1 16 6  8  o 532.584 3.5355 2837.46  26.033  532.188 4.3552 532.980 5.5707 -0.7918701     7.071045 
1 1 1 16 6  10 o 286.799 2.9133 814.225  10.892  280.341 3.1203 293.256 4.9207 -12.91507      5.826612 
1 1 1 16 6  12 f 93.277  3.4289 83.908   2.4716  90.470  1.6938 96.084  6.6453 -5.613426      6.857777 
1 1 1 16 6  14 o 279.514 2.0537 783.220  8.0315  283.243 2.6375 275.784 3.1487 7.459686       4.107404 
1 1 1 16 6  16 o 167.708 1.5361 281.630  3.5440  168.398 1.8579 167.018 2.4467 1.379913       3.072152 
1 1 1 16 6  18 o 106.924 1.8934 111.903  2.6832  101.440 2.1401 112.409 3.1241 -10.96828      3.786832 
1 1 1 16 6  20 o 64.737  1.7676 42.971   1.4366  67.702  1.6976 61.771  3.1010 5.930576       3.535241 
1 1 1 16 6  22 o 214.287 1.8473 461.040  5.5080  217.964 2.3142 210.611 2.8801 7.352951       3.694673 
1 1 1 16 6  24 f 168.648 1.6502 284.478  3.8101  168.454 1.9710 168.843 2.6472 -0.3892365     3.300345 
1 1 1 16 6  26 o 131.819 1.5936 174.038  2.7785  132.149 1.7394 131.489 2.6708 0.6604004      3.187256 
1 1 1 16 6  28 f 156.038 1.5442 243.198  3.3250  154.946 1.8956 157.129 2.4381 -2.182343      3.088324 
1 1 1 16 6  30 o 134.388 1.6257 181.585  3.0435  137.511 2.0430 131.264 2.5294 6.247513       3.251465 
1 1 1 16 6  32 o 62.802  2.1985 39.571   1.9427  63.570  2.9128 62.033  3.2937 1.537048       4.396928 
1 1 1 16 6  34 o 57.041  2.1012 32.631   1.6866  56.976  3.1378 57.106  2.7953 -0.1299553     4.202339 
1 1 1 16 6  36 o 130.248 1.6482 170.166  3.0326  132.751 2.2606 127.744 2.3992 5.006569       3.296422 
1 1 1 16 6  38 o 88.171  2.0344 79.790   2.3188  92.474  2.0714 83.869  3.5020 8.605270       4.068792 
1 1 1 16 6  40 o 45.994  2.7330 21.359   1.7089  45.867  3.2018 46.121  4.4302 -0.2533722     5.466040 
1 1 1 16 6  42 o 53.767  3.1824 29.660   2.0840  54.402  2.9342 53.133  5.6481 1.269127       6.364779 
1 1 1 16 6  44 o 27.666  5.1617 8.7794   2.1213  32.136  5.1660 23.197  8.9378 8.938427       10.32331 
1 1 1 16 6  46 o 26.314  5.2219 8.1032   2.0897  29.603  6.6358 23.026  8.0647 6.576321       10.44382 
1 1 1 16 6  48 o 41.776  4.0854 18.812   2.1899  40.540  4.2525 43.012  6.9771 -2.472076      8.170892 
1 1 1 16 6  50 f 16.515  5.0935 1.2159   2.0987  13.562  6.0920 19.468  8.1647 -5.906695      10.18700 
1 1 1 16 7  1  o 565.247 5.7909 3198.79  46.284  562.568 8.1265 567.927 8.2522 -5.359131      11.58179 
1 1 1 16 7  3  o 716.473 5.6372 5145.20  56.754  722.599 7.4136 710.348 8.4942 12.25104       11.27447 
1 1 1 16 7  5  o 227.074 1.8099 515.799  5.8097  228.663 2.5131 225.485 2.6052 3.178101       3.619745 
1 1 1 16 7  7  o 108.200 2.0046 116.231  2.2290  107.322 1.4279 109.077 3.7464 -1.755051      4.009236 
1 1 1 16 7  9  o 521.713 3.5312 2724.82  24.912  522.345 4.0705 521.082 5.7714 1.262451       7.062428 
1 1 1 16 7  11 o 225.050 2.2935 506.815  6.4657  225.199 2.2399 224.902 4.0030 0.2961884      4.587085 
1 1 1 16 7  13 o 178.926 1.6744 320.555  3.9843  179.414 1.8506 178.437 2.7911 0.9773560      3.348864 
1 1 1 16 7  15 o 144.544 1.5369 210.107  3.0411  147.286 1.8208 141.801 2.4766 5.485352       3.073835 
1 1 1 16 7  17 o 244.445 1.9197 597.463  6.3539  244.095 2.2234 244.795 3.1300 -0.6998749     3.839330 
1 1 1 16 7  19 f 184.619 1.5499 342.211  4.0064  189.136 1.9918 180.102 2.3753 9.034058       3.099889 
1 1 1 16 7  21 o 148.111 1.5437 219.464  3.1108  148.141 1.8102 148.080 2.5009 0.6118774E-01  3.087303 
1 1 1 16 7  23 o 107.512 1.7507 114.126  2.4621  104.411 1.8957 110.614 2.9439 -6.203568      3.501487 
1 1 1 16 7  25 o 83.443  1.4719 69.753   1.7027  83.944  1.8255 82.941  2.3095 1.003120       2.943849 
1 1 1 16 7  27 o 179.026 1.7370 319.906  4.2066  177.660 2.0126 180.392 2.8316 -2.731750      3.474012 
1 1 1 16 7  29 o 163.123 1.7751 265.403  3.9436  161.217 2.0991 165.029 2.8631 -3.811844      3.550134 
1 1 1 16 7  31 o 152.994 1.6005 233.344  3.3900  150.365 1.9958 155.623 2.5028 -5.257965      3.201089 
1 1 1 16 7  33 o 98.611  1.5580 97.404   2.1690  99.165  2.1248 98.057  2.2791 1.108353       3.115904 
1 1 1 16 7  35 o 19.769  4.5781 3.5080   1.5975  22.866  6.0489 16.672  6.8737 6.193352       9.156267 
1 1 1 16 7  37 o 45.893  2.6243 21.148   1.6625  45.514  3.2266 46.273  4.1396 -0.7584381     5.248574 
1 1 1 16 7  39 o 80.506  2.1826 65.148   2.2067  80.411  2.1439 80.601  3.8025 -0.1900177     4.365232 
1 1 1 16 7  41 o 50.174  2.8649 25.275   1.9256  48.745  3.2747 51.603  4.7019 -2.858513      5.729877 
1 1 1 16 7  43 o 23.890  4.8348 6.2184   1.7618  26.942  5.4043 20.837  8.0185 6.104788       9.669692 
1 1 1 16 7  45 o 26.073  5.1940 7.9117   2.0374  28.873  6.1533 23.273  8.3694 5.600115       10.38801 
1 1 1 16 7  47 o 19.018  5.3629 3.0949   1.9831  16.871  6.4671 21.165  8.5568 -4.294353      10.72577 
1 1 1 16 7  49 f 21.920  5.7134 5.5839   2.2321  19.497  7.1961 24.342  8.8763 -4.845093      11.42680 
1 1 1 16 7  51 o 16.958  5.2605 1.6361   2.1995  16.219  6.4063 17.697  8.3456 -1.477060      10.52092 
1 1 1 16 8  0  o 216.205 4.0787 468.024  17.623  216.205 4.0787 ?       ?      0.000000       0.000000 
1 1 1 16 8  2  o 248.257 2.6296 606.302  7.9596  241.720 2.4830 254.793 4.6360 -13.07349      5.259117 
1 1 1 16 8  4  o 631.075 5.0500 3970.15  41.549  625.474 5.3696 636.676 8.5545 -11.20227      10.10009 
1 1 1 16 8  6  o 325.990 2.5748 1062.82  10.624  325.890 2.5666 326.090 4.4644 -0.1999817     5.149601 
1 1 1 16 8  8  o 214.978 2.2730 458.887  5.4993  212.936 1.8591 217.019 4.1484 -4.082520      4.545980 
1 1 1 16 8  10 o 195.070 2.1484 376.993  5.1751  191.962 2.0622 198.179 3.7696 -6.217590      4.296804 
1 1 1 16 8  12 o 350.793 2.4678 1230.79  11.806  350.535 2.9144 351.052 3.9832 -0.5174255     4.935595 
1 1 1 16 8  14 o 392.758 2.7273 1542.57  14.504  392.044 3.1596 393.471 4.4463 -1.427704      5.454618 
1 1 1 16 8  16 o 168.213 1.4631 284.412  3.4184  172.183 1.8171 164.243 2.2937 7.940002       2.926186 
1 1 1 16 8  18 o 383.698 2.8147 1471.67  15.001  381.296 3.5333 386.101 4.3824 -4.805267      5.629348 
1 1 1 16 8  20 o 168.993 1.6649 282.530  3.7376  164.437 1.8638 173.549 2.7593 -9.111664      3.329826 
1 1 1 16 8  22 o 228.627 1.9287 521.200  6.0645  225.635 2.3487 231.619 3.0599 -5.983292      3.857436 
1 1 1 16 8  24 o 190.936 1.6959 364.877  4.4435  191.135 2.0378 190.736 2.7115 0.3987274      3.391891 
1 1 1 16 8  26 o 65.127  1.6656 42.383   1.5297  68.900  2.3168 61.354  2.3936 7.545162       3.331170 
1 1 1 16 8  28 o 42.512  2.7608 18.055   1.6503  41.319  3.7087 43.706  4.0906 -2.386425      5.521549 
1 1 1 16 8  30 o 213.538 2.0159 456.699  5.8281  213.481 2.3329 213.596 3.2882 -0.1152191     4.031757 
1 1 1 16 8  32 o 105.421 1.6517 111.378  2.4545  106.486 2.2186 104.356 2.4474 2.130501       3.303314 
1 1 1 16 8  34 o 106.921 1.6102 114.292  2.3994  105.807 2.0518 108.035 2.4823 -2.227592      3.220464 
1 1 1 16 8  36 o 23.386  4.5708 5.7315   1.6226  20.055  6.9880 26.718  5.8938 -6.662317      9.141642 
1 1 1 16 8  38 o 53.545  2.3366 28.672   1.7089  52.525  2.7959 54.564  3.7446 -2.039463      4.673245 
1 1 1 16 8  40 o 27.501  4.6639 8.1574   1.7724  30.232  4.8576 24.769  7.9631 5.463362       9.327717 
1 1 1 16 8  42 o 18.493  5.1691 2.3432   1.8284  16.684  6.2457 20.302  8.2384 -3.618046      10.33828 
1 1 1 16 8  44 o 28.169  6.0845 8.8193   2.3065  29.716  5.3521 26.622  10.929 3.094337       12.16899 
1 1 1 16 8  46 o 24.302  5.4867 6.7606   2.0188  23.579  6.5434 25.025  8.8091 -1.445967      10.97345 
1 1 1 16 8  48 o 20.684  5.4219 3.3573   2.2739  23.037  6.4171 18.331  8.7411 4.705591       10.84378 
1 1 1 16 8  50 f 16.476  5.2108 0.7326   2.2902  13.400  6.1250 19.552  8.4318 -6.151899      10.42170 
1 1 1 16 9  1  o 301.799 3.4477 910.568  14.702  296.262 4.8061 307.336 4.9446 -11.07477      6.895452 
1 1 1 16 9  3  o 636.238 5.0110 4042.47  43.486  630.967 5.9401 641.509 8.0720 -10.54218      10.02210 
1 1 1 16 9  5  o 383.681 3.0931 1490.68  15.276  393.162 3.1506 374.200 5.3237 18.96198       6.186131 
1 1 1 16 9  7  o 579.026 4.3331 3378.98  30.946  585.662 4.0883 572.391 7.6412 13.27148       8.666180 
1 1 1 16 9  9  o 480.745 3.6028 2324.64  21.899  485.265 3.5658 476.226 6.2613 9.038605       7.205500 
1 1 1 16 9  11 o 305.694 2.6983 941.253  10.025  309.008 2.4796 302.379 4.7933 6.628662       5.396693 
1 1 1 16 9  13 o 150.555 1.7922 226.518  3.0728  150.378 1.4861 150.732 3.2617 -0.3538361     3.584326 
1 1 1 16 9  15 o 168.499 1.5359 283.427  3.5846  167.102 1.9105 169.896 2.4053 -2.794189      3.071706 
1 1 1 16 9  17 o 96.540  1.6848 93.844   2.2303  98.826  2.0029 94.254  2.7097 4.571991       3.369567 
1 1 1 16 9  19 o 391.846 3.0083 1536.95  16.640  389.553 4.1141 394.139 4.3902 -4.585541      6.016590 
1 1 1 16 9  21 o 321.321 2.3753 1033.61  10.785  321.313 3.4378 321.330 3.2787 -0.1675415E-01 4.750598 
1 1 1 16 9  23 o 136.155 1.4100 185.211  2.7043  137.863 2.0841 134.447 1.8997 3.416946       2.819988 
1 1 1 16 9  25 o 153.116 1.5212 234.704  3.2806  152.320 2.2636 153.913 2.0328 -1.593170      3.042376 
1 1 1 16 9  27 o 218.967 1.8771 479.791  5.8076  211.872 2.6821 226.062 2.6267 -14.19070      3.754152 
1 1 1 16 9  29 o 31.599  3.0097 10.040   1.3378  31.088  4.5185 32.109  3.9771 -1.021513      6.019464 
1 1 1 16 9  31 o 105.708 1.6233 111.846  2.4246  106.067 2.3477 105.349 2.2425 0.7186966      3.246652 
1 1 1 16 9  33 o 140.440 1.7549 197.850  3.4772  142.630 2.3726 138.250 2.5864 4.380264       3.509781 
1 1 1 16 9  35 o 72.186  2.3140 52.323   2.3607  71.311  3.2234 73.062  3.3209 -1.750984      4.628038 
1 1 1 16 9  37 o 61.389  2.1533 38.002   1.8318  62.509  2.6558 60.270  3.3901 2.239002       4.306528 
1 1 1 16 9  39 o 48.138  3.8822 22.900   2.1337  46.268  3.3120 50.007  7.0225 -3.739635      7.764364 
1 1 1 16 9  41 o 20.197  4.9224 3.6709   1.7921  22.343  6.3010 18.051  7.5642 4.292217       9.844761 
1 1 1 16 9  43 o 17.940  5.2692 1.4216   2.0188  14.031  6.1013 21.850  8.5925 -7.819562      10.53837 
1 1 1 16 9  45 o 21.682  5.5335 4.6198   1.9437  17.725  6.4220 25.639  9.0131 -7.914204      11.06695 
1 1 1 16 9  47 o 20.432  5.8546 3.3916   2.2107  19.205  6.4610 21.660  9.7652 -2.454939      11.70917 
1 1 1 16 9  49 o 19.667  5.6199 3.9213   2.2407  17.137  6.8680 22.197  8.8973 -5.060097      11.23974 
1 1 1 16 9  51 f 15.129  5.0485 -1.1695  2.3524  13.683  6.0245 16.575  8.1028 -2.891844      10.09705 
1 1 1 16 10 0  o 213.617 4.0084 456.914  17.112  213.617 4.0084 ?       ?      0.000000       0.000000 
1 1 1 16 10 2  o 317.166 2.9323 1005.53  11.972  316.611 3.0250 317.721 5.0241 -1.109344      5.864501 
1 1 1 16 10 4  o 129.664 2.0298 163.367  3.1778  123.938 1.9062 135.390 3.5842 -11.45152      4.059554 
1 1 1 16 10 6  o 257.000 2.2869 661.729  7.1343  257.647 2.1065 256.354 4.0599 1.293182       4.573817 
1 1 1 16 10 8  o 256.351 2.3529 661.536  7.2492  258.857 2.1213 253.844 4.2006 5.012772       4.705856 
1 1 1 16 10 10 o 299.386 2.3078 901.526  9.4888  305.361 2.7601 293.410 3.6995 11.95172       4.615639 
1 1 1 16 10 12 o 264.301 2.0743 697.470  7.4492  262.759 2.4300 265.842 3.3625 -3.083160      4.148688 
1 1 1 16 10 14 o 211.025 1.7938 444.515  5.1696  209.568 2.1327 212.481 2.8848 -2.913284      3.587561 
1 1 1 16 10 16 o 233.821 2.5396 546.943  11.876  233.821 2.5396 ?       ?      ?              ?        
1 1 1 16 10 18 o 194.363 1.8184 376.841  4.8197  192.538 2.1556 196.187 2.9291 -3.648071      3.636780 
1 1 1 16 10 20 o 260.564 2.1505 678.003  7.5807  258.900 2.4909 262.228 3.5063 -3.327911      4.301000 
1 1 1 16 10 22 o 112.406 2.1815 126.132  3.3900  111.199 2.6988 113.613 3.4282 -2.414795      4.362997 
1 1 1 16 10 24 o 107.386 1.4763 115.328  2.2183  107.123 1.9074 107.649 2.2539 -0.5256577     2.952652 
1 1 1 16 10 26 o 358.649 2.7105 1283.86  13.296  354.020 3.2464 363.279 4.3413 -9.258728      5.420925 
1 1 1 16 10 28 f 109.984 1.7470 118.420  2.4978  104.881 1.8873 115.088 2.9404 -10.20708      3.493969 
1 1 1 16 10 30 f 67.803  2.2604 45.241   1.8153  66.059  2.0298 69.547  4.0396 -3.488312      4.520884 
1 1 1 16 10 32 o 135.196 1.6078 183.416  3.0595  137.802 2.1314 132.590 2.4078 5.211990       3.215653 
1 1 1 16 10 34 o 84.562  1.7982 71.861   2.1271  85.824  2.3063 83.300  2.7594 2.523582       3.596339 
1 1 1 16 10 36 o 63.420  2.1807 40.508   1.9427  64.893  2.8534 61.947  3.2983 2.946712       4.361302 
1 1 1 16 10 38 o 76.995  2.0138 59.580   2.1240  76.813  2.4106 77.178  3.2265 -0.3654556     4.027604 
1 1 1 16 10 40 o 21.824  5.1676 4.7812   1.8571  21.388  6.8620 22.259  7.7285 -0.8707294     10.33520 
1 1 1 16 10 42 o 53.047  2.7230 28.522   1.9256  52.303  3.0519 53.791  4.5106 -1.487808      5.446095 
1 1 1 16 10 44 o 27.854  5.0591 8.8499   1.9500  27.414  6.2002 28.294  7.9959 -0.8803692     10.11815 
1 1 1 16 10 46 o 15.902  4.9888 -0.8956  2.3225  16.782  7.0251 15.022  7.0853 1.759937       9.977639 
1 1 1 16 10 48 o 19.742  6.0544 2.6776   2.4469  14.782  6.3830 24.703  10.290 -9.920476      12.10879 
1 1 1 16 10 50 o 24.669  5.7762 8.3120   2.1693  24.458  6.4381 24.881  9.5922 -0.4224167     11.55247 
1 1 1 16 11 1  o 144.691 2.1386 205.150  3.4232  141.000 1.7208 148.382 3.9158 -7.381638      4.277252 
1 1 1 16 11 3  f 175.548 2.0934 311.737  4.6529  179.270 2.0658 171.826 3.6417 7.444199       4.186800 
1 1 1 16 11 5  o 196.217 1.6118 385.288  4.4686  198.756 2.2166 193.679 2.3407 5.077347       3.223689 
1 1 1 16 11 7  o 82.139  1.2745 67.887   1.4658  85.909  1.6351 78.368  1.9554 7.541122       2.548956 
1 1 1 16 11 9  o 227.250 2.0514 519.056  6.2207  230.045 2.2760 224.454 3.4136 5.591202       4.102794 
1 1 1 16 11 11 o 295.066 2.1770 871.816  8.9526  296.442 2.7570 293.691 3.3698 2.751404       4.353916 
1 1 1 16 11 13 o 158.144 1.5115 249.710  3.2837  157.140 1.8285 159.148 2.4072 -2.007965      3.022913 
1 1 1 16 11 15 o 484.650 3.6872 2360.50  24.614  490.773 4.4625 478.528 5.8710 12.24496       7.374423 
1 1 1 16 11 17 o 91.350  2.2238 83.255   2.6643  90.736  2.3926 91.964  3.7492 -1.227829      4.447570 
1 1 1 16 11 19 o 201.677 1.7574 407.441  4.9279  202.797 2.2039 200.557 2.7379 2.239929       3.514791 
1 1 1 16 11 21 o 130.875 2.2255 171.458  4.1181  133.069 3.1189 128.680 3.1756 4.388824       4.451089 
1 1 1 16 11 23 f 88.334  1.8034 78.343   2.0188  88.892  1.7957 87.775  3.1280 1.116653       3.606767 
1 1 1 16 11 25 o 242.216 2.3879 588.595  7.6089  243.230 2.5726 241.201 4.0237 2.028656       4.775839 
1 1 1 16 11 27 o 190.926 1.8723 363.490  4.8852  188.325 2.2377 193.527 3.0024 -5.202148      3.744529 
1 1 1 16 11 29 o 172.060 1.9307 297.415  4.4234  173.446 2.1352 170.675 3.2173 2.771057       3.861345 
1 1 1 16 11 31 o 59.885  2.1162 35.943   1.7787  59.842  2.7742 59.928  3.1964 -0.8625031E-01 4.232345 
1 1 1 16 11 33 o 110.125 1.7957 121.426  2.7331  109.637 2.2131 110.614 2.8285 -0.9774628     3.591345 
1 1 1 16 11 35 o 121.935 1.7041 149.123  2.9357  122.545 2.3447 121.326 2.4735 1.218826       3.408168 
1 1 1 16 11 37 o 54.586  2.3657 29.999   1.8057  54.503  3.0459 54.669  3.6206 -0.1658821     4.731448 
1 1 1 16 11 39 o 43.534  2.9568 19.712   1.7274  46.914  3.2664 40.153  4.9296 6.761597       5.913552 
1 1 1 16 11 41 o 50.540  2.9248 25.888   2.0157  49.395  3.4901 51.685  4.6945 -2.289265      5.849699 
1 1 1 16 11 43 o 53.032  2.9491 29.064   2.1802  52.738  3.7532 53.326  4.5499 -0.5880318     5.898165 
1 1 1 16 11 45 o 19.933  5.0165 4.1480   1.7673  17.854  6.6630 22.012  7.5010 -4.157167      10.03300 
1 1 1 16 11 47 o 27.400  5.0925 9.1336   1.8978  29.066  5.2443 25.735  8.7310 3.331377       10.18492 
1 1 1 16 11 49 f 19.817  5.4273 4.1899   2.2275  21.133  6.8695 18.501  8.4043 2.632084       10.85459 
1 1 1 16 12 0  o 440.170 3.9463 1938.50  34.735  440.170 3.9463 ?       ?      0.000000       0.000000 
1 1 1 16 12 2  o 205.787 1.7504 424.582  5.0663  210.242 2.3081 201.333 2.6323 8.908813       3.500880 
1 1 1 16 12 4  o 392.924 2.8324 1545.76  15.663  395.106 3.7654 390.742 4.2323 4.363495       5.664805 
1 1 1 16 12 6  o 207.138 2.2940 424.338  6.2382  201.871 2.4987 212.404 3.8478 -10.53322      4.587919 
1 1 1 16 12 8  o 328.497 2.3540 1078.66  10.673  327.361 2.8867 329.633 3.7191 -2.271912      4.707908 
1 1 1 16 12 10 o 140.174 1.4608 196.751  2.7377  140.590 1.6350 139.759 2.4214 0.8308105      2.921673 
1 1 1 16 12 12 o 193.835 1.6794 373.169  4.4258  189.646 1.9864 198.025 2.7085 -8.379028      3.358824 
1 1 1 16 12 14 o 127.587 1.6424 160.881  2.7196  124.396 1.7452 130.779 2.7829 -6.383598      3.284854 
1 1 1 16 12 16 o 182.015 1.8077 330.082  4.4474  179.856 2.0945 184.173 2.9468 -4.317017      3.615381 
1 1 1 16 12 18 o 237.108 2.4646 555.377  7.2978  231.692 2.4251 242.525 4.2914 -10.83334      4.929205 
1 1 1 16 12 20 o 221.180 2.2112 492.097  6.2433  223.339 2.2299 219.020 3.8190 4.318542       4.422384 
1 1 1 16 12 22 o 279.827 2.2044 783.851  8.5074  279.809 2.6927 279.845 3.4909 -0.3619385E-01 4.408725 
1 1 1 16 12 24 o 249.109 2.1612 619.136  7.4196  245.807 2.6495 252.410 3.4150 -6.602432      4.322304 
1 1 1 16 12 26 o 76.529  1.8686 59.142   1.9279  78.422  2.1169 74.636  3.0798 3.785759       3.737146 
1 1 1 16 12 28 o 38.726  2.6360 15.097   1.4359  40.377  3.4790 37.075  3.9611 3.302631       5.271929 
1 1 1 16 12 30 o 16.288  4.5492 1.3865   1.5637  17.635  6.6468 14.941  6.2131 2.694472       9.098475 
1 1 1 16 12 32 o 54.558  2.0337 29.627   1.5324  52.942  2.5327 56.173  3.1827 -3.230495      4.067426 
1 1 1 16 12 34 o 60.816  2.2671 37.176   1.9469  63.279  3.1280 58.354  3.2826 4.924892       4.534298 
1 1 1 16 12 36 o 97.113  1.7490 94.507   2.3735  96.485  2.2500 97.741  2.6784 -1.255394      3.498023 
1 1 1 16 12 38 o 30.530  4.3205 10.536   1.8057  38.701  4.2896 22.360  7.5010 16.34050       8.640953 
1 1 1 16 12 40 o 14.321  4.5632 -1.6057  1.9427  14.878  6.6590 13.764  6.2409 1.114418       9.126385 
1 1 1 16 12 42 o 57.310  2.6243 33.936   2.0993  59.686  3.3163 54.933  4.0681 4.752590       5.248568 
1 1 1 16 12 44 o 41.010  3.6449 18.279   1.9500  44.208  3.7552 37.811  6.2481 6.396671       7.289714 
1 1 1 16 12 46 o 29.690  4.9408 10.495   2.0352  30.569  6.4652 28.811  7.4731 1.757372       9.881603 
1 1 1 16 12 48 o 19.040  5.2012 3.3536   2.0157  14.331  6.2856 23.749  8.2887 -9.418230      10.40248 
1 1 1 16 12 50 o 17.236  5.2140 2.6945   2.1180  15.209  6.4695 19.264  8.1785 -4.055389      10.42796 
1 1 1 16 13 1  o 537.772 3.3624 2894.52  25.570  539.893 4.7779 535.651 4.7323 4.241882       6.724808 
1 1 1 16 13 3  o 343.171 2.7753 1176.48  13.442  335.256 3.8281 351.087 4.0192 -15.83105      5.550542 
1 1 1 16 13 5  o 162.606 1.5786 264.309  3.4616  162.338 1.8093 162.875 2.5873 -0.5371246     3.157176 
1 1 1 16 13 7  o 383.908 2.7438 1470.95  14.472  380.239 3.3249 387.577 4.3657 -7.337738      5.487602 
1 1 1 16 13 9  o 361.503 2.5800 1309.89  12.641  363.309 2.9877 359.696 4.2070 3.613281       5.159992 
1 1 1 16 13 11 o 329.662 2.3674 1084.02  10.708  326.014 2.8594 333.310 3.7738 -7.296143      4.734777 
1 1 1 16 13 13 o 186.436 3.1126 356.771  5.8987  191.645 2.1323 181.226 5.8486 10.41895       6.225159 
1 1 1 16 13 15 o 226.851 2.6739 514.758  7.4295  226.601 2.5078 227.102 4.7234 -0.5005341     5.347836 
1 1 1 16 13 17 o 125.642 1.8593 157.808  3.1550  125.300 2.1402 125.983 3.0409 -0.6824112     3.718567 
1 1 1 16 13 19 o 215.339 1.9422 462.604  5.7570  212.857 2.3698 217.822 3.0779 -4.965118      3.884467 
1 1 1 16 13 21 o 327.709 2.4787 1072.93  11.165  325.025 3.0056 330.392 3.9424 -5.366699      4.957492 
1 1 1 16 13 23 o 165.805 1.7264 274.046  3.9405  163.398 2.1101 168.212 2.7330 -4.814285      3.452820 
1 1 1 16 13 25 o 118.482 1.6334 140.076  2.6502  117.233 1.9607 119.731 2.6131 -2.497780      3.266899 
1 1 1 16 13 27 o 39.691  3.3593 15.844   1.8830  39.044  4.9060 40.338  4.5904 -1.293522      6.718677 
1 1 1 16 13 29 o 123.968 1.5730 153.493  2.7084  122.646 1.9783 125.291 2.4462 -2.644821      3.146024 
1 1 1 16 13 31 o 117.195 2.1304 137.374  3.1651  116.636 2.1350 117.754 3.6872 -1.117889      4.260725 
1 1 1 16 13 33 o 78.206  1.8280 61.582   2.0108  82.006  2.4137 74.405  2.7461 7.600319       3.656050 
1 1 1 16 13 35 o 59.230  2.1783 35.201   1.8057  58.823  2.8222 59.638  3.3190 -0.8148880     4.356677 
1 1 1 16 13 37 o 71.855  2.3040 52.032   2.3091  71.845  3.5549 71.864  2.9320 -0.1879883E-01 4.608023 
1 1 1 16 13 39 o 17.654  4.9094 1.8847   1.8429  18.996  6.9506 16.312  6.9353 2.684134       9.818847 
1 1 1 16 13 41 o 33.277  4.7584 11.724   2.0188  29.965  5.5352 36.590  7.7416 -6.624714      9.516872 
1 1 1 16 13 43 o 67.699  2.6090 47.077   2.3650  67.213  2.9449 68.185  4.3076 -0.9718018     5.218020 
1 1 1 16 13 45 o 25.089  5.2011 7.4787   1.9464  25.393  6.6936 24.786  7.9625 0.6076393      10.40223 
1 1 1 16 13 47 o 18.092  5.4298 1.9899   2.4053  18.307  7.2651 17.877  8.0715 0.4305630      10.85962 
1 1 1 16 13 49 o 16.121  5.1157 0.6319   2.4545  16.992  7.4061 15.249  7.0593 1.743208       10.23149 
1 1 1 16 14 0  f 204.235 2.2829 417.327  9.3222  204.235 2.2829 ?       ?      0.000000       0.000000 
1 1 1 16 14 2  o 54.072  1.2958 28.865   0.9639  56.610  2.0302 51.535  1.6107 5.074745       2.591545 
1 1 1 16 14 4  o 144.101 1.6097 207.803  3.2113  144.393 1.9899 143.809 2.5308 0.5847321      3.219397 
1 1 1 16 14 6  o 222.475 2.1501 503.533  6.3315  231.806 2.3138 213.143 3.6247 18.66295       4.300264 
1 1 1 16 14 8  o 133.671 1.8587 175.309  2.9937  129.723 1.7227 137.619 3.2941 -7.896103      3.717411 
1 1 1 16 14 10 o 82.239  1.9633 68.383   1.8869  83.494  1.6824 80.984  3.5479 2.509193       3.926615 
1 1 1 16 14 12 o 185.751 1.8584 343.733  4.4635  184.141 1.9418 187.362 3.1693 -3.220673      3.716873 
1 1 1 16 14 14 o 145.988 1.7091 212.252  3.3507  144.208 1.9482 147.767 2.8087 -3.559631      3.418180 
1 1 1 16 14 16 o 273.987 2.2694 747.880  8.4788  269.861 2.6973 278.112 3.6504 -8.250244      4.538821 
1 1 1 16 14 18 o 224.749 1.9440 502.461  5.9594  220.459 2.3170 229.039 3.1223 -8.580246      3.888077 
1 1 1 16 14 20 o 112.495 1.5526 125.913  2.4081  110.120 1.9134 114.870 2.4457 -4.750061      3.105282 
1 1 1 16 14 22 o 86.218  1.5748 73.871   1.8815  83.708  1.9832 88.728  2.4467 -5.020409      3.149521 
1 1 1 16 14 24 o 77.764  1.5096 60.476   1.6577  76.863  2.0768 78.664  2.1915 -1.801399      3.019243 
1 1 1 16 14 26 o 63.218  1.8215 39.955   1.6226  62.163  2.4651 64.273  2.6822 -2.110325      3.642980 
1 1 1 16 14 28 o 136.951 1.7792 186.767  3.4184  131.701 2.3756 142.201 2.6492 -10.50029      3.558320 
1 1 1 16 14 30 o 30.038  4.0378 9.4106   1.6503  27.840  6.5281 32.236  4.7537 -4.396601      8.075506 
1 1 1 16 14 32 o 54.792  2.1026 30.147   1.6276  54.322  3.0561 55.262  2.8885 -0.9404106     4.205148 
1 1 1 16 14 34 o 45.924  2.9534 21.241   1.9070  46.247  4.4180 45.602  3.9205 0.6458588      5.906709 
1 1 1 16 14 36 o 32.841  3.8592 11.302   1.7240  36.491  4.7243 29.190  6.1037 7.300617       7.718491 
1 1 1 16 14 38 o 18.005  5.2895 1.0508   2.2329  16.558  7.1565 19.452  7.7910 -2.893808      10.57899 
1 1 1 16 14 40 o 32.575  5.3313 12.177   2.4538  26.807  9.1373 38.343  5.4954 -11.53559      10.66253 
1 1 1 16 14 42 o 23.318  5.4461 5.9187   2.1987  19.902  7.8508 26.733  7.5502 -6.830620      10.89226 
1 1 1 16 14 44 o 24.705  5.6720 7.3437   2.2447  23.833  7.6093 25.577  8.4134 -1.743881      11.34403 
1 1 1 16 14 46 o 23.821  5.3611 6.9155   2.0629  20.510  7.3440 27.131  7.8123 -6.621857      10.72225 
1 1 1 16 14 48 o 18.489  5.3815 3.4749   2.2447  17.135  7.1530 19.843  8.0421 -2.707949      10.76291 
1 1 1 16 15 1  o 430.958 3.5148 1857.23  21.370  423.794 4.8062 438.123 5.1299 -14.32892      7.029617 
1 1 1 16 15 3  o 522.342 3.6976 2730.20  27.022  524.961 5.6436 519.722 4.7791 5.238403       7.395229 
1 1 1 16 15 5  f 175.467 1.7514 307.123  4.1169  176.765 2.8897 174.169 1.9796 2.596024       3.502798 
1 1 1 16 15 7  o 118.661 1.6171 140.844  2.7133  119.038 2.3065 118.285 2.2672 0.7523727      3.234169 
1 1 1 16 15 9  o 243.292 2.4447 593.826  8.2149  240.919 3.8694 245.665 2.9890 -4.746277      4.889407 
1 1 1 16 15 11 o 361.380 2.5913 1313.80  13.015  370.169 3.2256 352.592 4.0564 17.57739       5.182527 
1 1 1 16 15 13 o 80.711  1.5671 65.032   1.7787  79.330  2.0927 82.093  2.3333 -2.763763      3.134289 
1 1 1 16 15 15 o 150.331 1.5540 226.627  3.2731  152.629 2.0080 148.032 2.3723 4.597275       3.108052 
1 1 1 16 15 17 o 136.763 1.5632 187.465  2.9670  137.867 1.9451 135.659 2.4475 2.208450       3.126300 
1 1 1 16 15 19 o 115.459 1.5342 133.482  2.4640  115.880 1.9285 115.037 2.3867 0.8426361      3.068452 
1 1 1 16 15 21 o 171.774 1.8356 293.961  4.3547  168.655 2.2715 174.893 2.8841 -6.238876      3.671257 
1 1 1 16 15 23 o 95.632  1.7006 91.462   2.2915  94.703  2.2923 96.561  2.5127 -1.858109      3.401267 
1 1 1 16 15 25 o 20.663  5.1544 3.6395   1.9155  22.801  7.3766 18.526  7.2013 4.275248       10.30884 
1 1 1 16 15 27 o 72.712  2.1239 53.187   2.1709  68.102  3.1878 77.322  2.8076 -9.220367      4.247893 
1 1 1 16 15 29 o 83.058  2.2555 69.683   2.5930  80.533  3.5678 85.583  2.7605 -5.050041      4.511051 
1 1 1 16 15 31 o 56.927  3.8824 34.062   2.4966  53.750  7.1274 60.104  3.0808 -6.353657      7.764749 
1 1 1 16 15 33 o 61.778  2.6504 37.693   2.1851  64.637  4.3465 58.920  3.0343 5.716740       5.300835 
1 1 1 16 15 35 o 15.518  4.6016 0.5301   1.6432  17.431  7.1331 13.606  5.8153 3.824913       9.203228 
1 1 1 16 15 37 o 61.194  2.2196 37.816   1.9070  60.947  3.3524 61.441  2.9098 -0.4936218     4.439110 
1 1 1 16 15 39 o 28.560  4.6716 8.8950   1.8429  29.531  6.8328 27.588  6.3726 1.943279       9.343279 
1 1 1 16 15 41 o 38.709  3.7433 15.787   2.0352  42.200  5.1444 35.218  5.4391 6.982147       7.486533 
1 1 1 16 15 43 o 44.935  3.5636 21.004   2.1655  41.545  4.3033 48.325  5.6815 -6.779373      7.127237 
1 1 1 16 15 45 o 18.470  5.4258 1.5699   2.2714  13.173  6.0646 23.766  8.9988 -10.59325      10.85162 
1 1 1 16 15 47 o 19.897  5.1968 4.3966   1.9702  15.542  6.5336 24.251  8.0833 -8.708924      10.39363 
1 1 1 16 16 0  f 80.603  2.2218 65.127   3.5756  80.603  2.2218 ?       ?      0.000000       0.000000 
1 1 1 16 16 2  o 149.536 1.6523 224.126  3.4655  147.483 2.5110 151.589 2.1482 -4.106018      3.304521 
1 1 1 16 16 4  o 29.857  2.9262 9.2087   1.0926  28.570  5.1003 31.144  2.8702 -2.573997      5.852464 
1 1 1 16 16 6  o 260.663 2.2914 680.502  8.4046  258.864 3.4285 262.462 3.0409 -3.597565      4.582799 
1 1 1 16 16 8  o 254.293 2.1573 647.111  7.7566  254.082 3.0156 254.504 3.0858 -0.4222717     4.314644 
1 1 1 16 16 10 o 361.812 3.1259 1308.63  14.778  360.348 3.3312 363.276 5.2905 -2.927795      6.251871 
1 1 1 16 16 12 o 125.775 1.7018 158.375  2.9521  126.063 2.0766 125.487 2.6968 0.5765533      3.403658 
1 1 1 16 16 14 o 150.931 1.6501 229.038  3.4304  153.796 1.9928 148.066 2.6305 5.730713       3.300111 
1 1 1 16 16 16 o 335.945 2.6123 1125.95  11.962  332.020 3.0962 339.870 4.2082 -7.849609      5.224513 
1 1 1 16 16 18 o 215.686 1.9253 466.579  5.7094  217.326 2.3210 214.047 3.0725 3.278290       3.850639 
1 1 1 16 16 20 o 142.506 1.5690 203.046  3.1525  141.189 2.1255 143.822 2.3086 -2.633652      3.138024 
1 1 1 16 16 22 o 123.521 1.5717 152.668  2.7441  122.438 2.1903 124.604 2.2547 -2.165657      3.143373 
1 1 1 16 16 24 o 146.247 1.8417 213.835  3.7666  144.848 2.3804 147.647 2.8110 -2.798279      3.683427 
1 1 1 16 16 26 o 150.803 2.1257 228.188  4.4505  149.819 3.3242 151.788 2.6501 -1.969025      4.251331 
1 1 1 16 16 28 o 46.051  2.9002 21.352   1.8787  46.618  3.8350 45.483  4.3518 1.134781       5.800495 
1 1 1 16 16 30 o 16.218  4.7245 0.7848   1.7507  14.855  6.3347 17.581  7.0110 -2.725422      9.448962 
1 1 1 16 16 32 o 64.283  2.1404 41.289   1.9344  61.673  2.8989 66.893  3.1499 -5.219856      4.280810 
1 1 1 16 16 34 o 37.654  3.3545 14.339   1.7787  36.001  4.6113 39.308  4.8731 -3.306679      6.709075 
1 1 1 16 16 36 o 111.721 1.7178 125.476  2.7133  113.771 2.4132 109.670 2.4453 4.100769       3.435553 
1 1 1 16 16 38 o 28.732  4.5856 9.0040   1.8192  28.600  6.6031 28.865  6.3648 -0.2650661     9.171276 
1 1 1 16 16 40 o 21.139  5.3547 4.5088   2.0511  20.156  7.8776 22.123  7.2550 -1.966801      10.70940 
1 1 1 16 16 42 o 21.436  5.4901 4.5972   2.2329  24.198  7.8554 18.674  7.6719 5.524271       10.98018 
1 1 1 16 16 44 o 16.388  4.5619 2.1505   1.5733  17.092  6.2722 15.683  6.6260 1.409249       9.123810 
1 1 1 16 16 46 o 15.714  4.8478 0.9040   1.9500  13.476  6.0176 17.952  7.6022 -4.476043      9.695562 
1 1 1 16 16 48 o 20.518  5.8802 5.5322   2.4248  18.687  7.1247 22.349  9.3566 -3.661282      11.76041 
1 1 1 16 17 1  o 55.171  1.7189 30.423   1.3378  55.807  2.5171 54.536  2.3416 1.270641       3.437859 
1 1 1 16 17 3  o 225.960 2.0780 510.912  6.6398  226.411 2.9611 225.510 2.9163 0.9012909      4.156099 
1 1 1 16 17 5  o 415.321 3.1941 1727.82  18.700  415.212 4.7210 415.430 4.3035 -0.2173462     6.388114 
1 1 1 16 17 7  o 263.281 2.0838 692.712  7.7356  267.357 3.0569 259.206 2.8328 8.151581       4.167671 
1 1 1 16 17 9  o 231.632 2.1507 537.562  6.9951  229.868 3.2499 233.395 2.8178 -3.527206      4.301376 
1 1 1 16 17 11 o 92.966  1.5630 85.889   1.9933  90.810  1.8984 95.122  2.4836 -4.312386      3.126085 
1 1 1 16 17 13 o 59.813  1.8483 35.673   1.5585  56.934  2.5794 62.693  2.6480 -5.759430      3.696672 
1 1 1 16 17 15 o 271.217 2.2954 735.607  8.5190  270.228 2.7409 272.207 3.6827 -1.979370      4.590712 
1 1 1 16 17 17 o 116.026 1.5217 133.912  2.4492  113.091 1.9196 118.961 2.3616 -5.870483      3.043395 
1 1 1 16 17 19 o 175.961 1.8123 308.672  4.4505  172.278 2.3349 179.645 2.7723 -7.366867      3.624596 
1 1 1 16 17 21 o 152.876 1.7291 232.614  3.6891  148.218 2.2401 157.534 2.6345 -9.315918      3.458151 
1 1 1 16 17 23 o 72.991  2.1895 53.842   2.2329  68.001  3.3803 77.982  2.7839 -9.980797      4.379064 
1 1 1 16 17 25 o 128.639 1.6322 165.612  2.9660  127.677 2.2504 129.602 2.3648 -1.925652      3.264454 
1 1 1 16 17 27 o 65.505  2.2156 43.193   2.0412  63.208  3.3336 67.802  2.9193 -4.594364      4.431141 
1 1 1 16 17 29 o 32.683  4.0261 10.814   1.7744  34.572  6.3304 30.794  4.9763 3.778580       8.052210 
1 1 1 16 17 31 o 40.272  3.2486 16.308   1.8429  38.476  4.4806 42.068  4.7051 -3.592419      6.497260 
1 1 1 16 17 33 o 23.417  4.9247 5.5225   1.8057  19.017  6.8341 27.816  7.0927 -8.799362      9.849459 
1 1 1 16 17 35 o 56.632  2.1513 32.207   1.7145  54.693  2.9186 58.570  3.1614 -3.877655      4.302658 
1 1 1 16 17 37 o 97.644  1.9935 96.096   2.7218  96.686  2.5755 98.602  3.0435 -1.916161      3.987014 
1 1 1 16 17 39 o 48.027  3.1923 23.841   2.1540  45.473  4.3528 50.581  4.6706 -5.107967      6.384510 
1 1 1 16 17 41 o 52.589  2.6347 28.599   1.9344  51.785  4.0688 53.393  3.3484 -1.607563      5.269466 
1 1 1 16 17 43 o 49.953  2.5516 26.076   1.7855  52.515  3.2828 47.392  3.9071 5.123245       5.103190 
1 1 1 16 17 45 o 26.665  5.0435 8.8218   1.9344  27.194  6.6259 26.135  7.6055 1.059084       10.08693 
1 1 1 16 17 47 o 19.558  5.5534 4.6943   2.3225  19.529  7.3894 19.586  8.2921 -0.5720139E-01 11.10684 
1 1 1 16 18 0  f 196.635 2.4362 386.934  9.5776  196.635 2.4362 ?       ?      0.000000       0.000000 
1 1 1 16 18 2  o 223.369 1.9301 499.012  6.0935  226.467 2.7630 220.271 2.6958 6.194992       3.860276 
1 1 1 16 18 4  o 114.070 1.4644 130.110  2.3607  112.756 2.0386 115.384 2.1028 -2.628281      2.928754 
1 1 1 16 18 6  o 248.962 2.3239 620.505  8.1549  248.923 3.4372 249.000 3.1284 -0.7684326E-01 4.647716 
1 1 1 16 18 8  o 205.573 1.9468 422.052  5.6102  208.308 2.9426 202.837 2.5498 5.470291       3.893605 
1 1 1 16 18 10 o 251.223 2.0952 631.131  7.4154  253.371 3.0996 249.075 2.8199 4.295853       4.190395 
1 1 1 16 18 12 o 275.192 2.1429 758.000  8.3177  275.320 3.1540 275.064 2.9016 0.2562561      4.285701 
1 1 1 16 18 14 o 67.234  2.0819 45.151   1.9711  68.606  3.0713 65.861  2.8115 2.744957       4.163770 
1 1 1 16 18 16 o 98.184  1.5667 96.281   2.1540  97.052  2.0395 99.316  2.3787 -2.264664      3.133351 
1 1 1 16 18 18 o 193.378 2.0332 373.530  5.5190  190.129 2.6866 196.626 3.0525 -6.496979      4.066379 
1 1 1 16 18 20 o 102.245 1.6193 104.657  2.3091  102.287 2.0600 102.204 2.4989 0.8288574E-01  3.238543 
1 1 1 16 18 22 o 80.426  1.8702 64.309   2.0374  78.740  2.1894 82.112  3.0327 -3.371513      3.740408 
1 1 1 16 18 24 o 66.011  2.0892 43.580   1.9344  65.152  2.7441 66.871  3.1510 -1.718559      4.178321 
1 1 1 16 18 26 o 69.247  1.9695 48.162   1.8964  68.629  3.0702 69.864  2.4676 -1.234352      3.938941 
1 1 1 16 18 28 o 82.341  1.9187 67.784   2.2275  78.013  2.7009 86.670  2.7258 -8.656647      3.837334 
1 1 1 16 18 30 o 49.154  2.3894 24.145   1.6503  53.226  3.3589 45.082  3.3992 8.143845       4.778783 
1 1 1 16 18 32 o 16.983  4.7040 1.6994   1.6503  14.982  6.2205 18.984  7.0580 -4.002267      9.408010 
1 1 1 16 18 34 o 28.415  4.4290 8.5358   1.8147  35.292  5.4276 21.537  7.0004 13.75455       8.857990 
1 1 1 16 18 36 o 24.337  4.7531 6.4405   1.6914  25.139  6.7244 23.536  6.7193 1.603252       9.506170 
1 1 1 16 18 38 o 26.639  4.5970 8.0672   1.8164  21.489  7.7016 31.789  5.0214 -10.30034      9.194000 
1 1 1 16 18 40 o 20.650  5.1909 4.3317   1.9500  19.235  7.8191 22.065  6.8297 -2.829662      10.38188 
1 1 1 16 18 42 o 38.591  4.1801 16.744   2.1634  34.968  6.8167 42.215  4.8400 -7.247112      8.360231 
1 1 1 16 18 44 o 29.856  5.8666 11.403   2.4720  29.077  7.0825 30.635  9.3545 -1.557766      11.73320 
1 1 1 16 18 46 o 23.259  6.0469 7.7555   2.5930  21.470  8.0873 25.049  8.9920 -3.579756      12.09380 
1 1 1 16 19 1  o 108.058 1.7614 116.974  2.6680  108.890 2.2869 107.226 2.6797 1.664345       3.522827 
1 1 1 16 19 3  o 110.879 1.6492 122.993  2.5855  112.577 2.3254 109.181 2.3392 3.396011       3.298416 
1 1 1 16 19 5  o 267.935 2.4436 718.755  9.2566  267.809 3.4094 268.062 3.5014 -0.2531738     4.887122 
1 1 1 16 19 7  o 296.034 2.3730 877.099  9.9114  297.109 3.4815 294.959 3.2254 2.150330       4.745960 
1 1 1 16 19 9  o 292.504 2.6188 856.979  10.615  292.205 4.1080 292.802 3.2492 -0.5977173     5.237675 
1 1 1 16 19 11 f 254.410 2.5070 647.444  8.7566  255.412 3.9998 253.409 3.0236 2.003143       5.014070 
1 1 1 16 19 13 o 69.342  1.8563 48.566   1.6578  68.039  3.1907 70.645  1.8980 -2.605827      3.712531 
1 1 1 16 19 15 o 42.819  2.6487 18.435   1.5937  41.474  4.0028 44.164  3.4698 -2.690842      5.297345 
1 1 1 16 19 17 o 112.466 1.6755 126.595  2.6186  112.393 2.1020 112.539 2.6099 -0.1458130     3.351064 
1 1 1 16 19 19 o 185.047 1.7495 341.335  4.5008  181.279 2.2190 188.815 2.7053 -7.535538      3.498953 
1 1 1 16 19 21 o 167.533 1.6954 281.318  3.9475  168.448 2.1227 166.617 2.6442 1.831284       3.390806 
1 1 1 16 19 23 o 95.511  1.7257 91.294   2.3266  94.547  2.3636 96.474  2.5150 -1.926880      3.451379 
1 1 1 16 19 25 o 83.047  2.0176 68.713   2.3193  80.849  2.5272 85.245  3.1459 -4.396103      4.035276 
1 1 1 16 19 27 o 34.576  3.0715 12.047   1.4998  35.955  4.2620 33.196  4.4239 2.758469       6.142919 
1 1 1 16 19 29 o 73.857  2.8664 54.537   2.6859  72.921  2.8895 74.793  4.9514 -1.872215      5.732883 
1 1 1 16 19 31 o 26.551  4.7530 7.5344   1.7855  26.560  6.5284 26.542  6.9098 0.1762390E-01  9.506028 
1 1 1 16 19 33 o 20.925  4.9003 4.0613   1.7855  16.953  6.7636 24.898  7.0927 -7.944622      9.800632 
1 1 1 16 19 35 o 32.242  4.2354 11.273   1.8495  27.512  6.9549 36.972  4.8356 -9.459589      8.470819 
1 1 1 16 19 37 o 17.709  4.9579 1.5689   1.9986  15.021  6.7872 20.397  7.2288 -5.375623      9.915723 
1 1 1 16 19 39 o 49.968  3.1631 26.128   2.2329  48.247  4.4996 51.690  4.4469 -3.442974      6.326268 
1 1 1 16 19 41 o 26.007  5.5949 8.2160   2.2626  24.411  8.1948 27.603  7.6195 -3.191813      11.18983 
1 1 1 16 19 43 f 16.064  4.9298 0.3355   2.1347  13.617  6.3078 18.510  7.5779 -4.892995      9.859613 
1 1 1 16 19 45 o 22.903  5.4696 6.9655   2.0761  20.913  7.2465 24.893  8.1948 -3.980297      10.93924 
1 1 1 16 20 0  o 324.323 4.6483 1053.66  30.137  324.323 4.6483 ?       ?      0.000000       0.000000 
1 1 1 16 20 2  o 180.133 2.4075 324.765  6.1190  180.833 3.5309 179.433 3.2738 1.399994       4.815071 
1 1 1 16 20 4  o 163.010 1.9215 265.589  4.3465  163.916 2.9994 162.104 2.4027 1.812012       3.843090 
1 1 1 16 20 6  o 169.012 1.7766 285.797  4.2439  169.822 2.5567 168.203 2.4674 1.619156       3.553148 
1 1 1 16 20 8  o 161.926 1.7312 262.619  3.9546  160.069 2.5529 163.783 2.3391 -3.714142      3.462466 
1 1 1 16 20 10 o 259.527 2.2643 674.284  8.2765  260.111 3.3630 258.943 3.0329 1.168060       4.528625 
1 1 1 16 20 12 o 187.371 1.7285 351.472  4.5383  187.001 2.6291 187.740 2.2447 -0.7393036     3.456989 
1 1 1 16 20 14 o 177.150 1.7722 313.609  4.4190  179.752 2.6286 174.549 2.3777 5.203110       3.544434 
1 1 1 16 20 16 o 241.901 2.1111 585.232  6.9865  240.631 2.5208 243.171 3.3872 -2.539047      4.222271 
1 1 1 16 20 18 o 150.811 1.7290 227.271  3.6245  149.415 2.1794 152.207 2.6848 -2.792908      3.458021 
1 1 1 16 20 20 o 199.908 1.8229 399.465  5.0953  197.921 2.3550 201.895 2.7830 -3.974335      3.645748 
1 1 1 16 20 22 o 146.292 1.7151 213.072  3.4951  142.041 2.2026 150.542 2.6297 -8.500168      3.430270 
1 1 1 16 20 24 o 95.363  1.7049 90.540   2.2702  92.071  2.2192 98.656  2.5888 -6.584290      3.409797 
1 1 1 16 20 26 o 110.323 1.8703 122.019  2.8768  110.066 2.3784 110.579 2.8871 -0.5130692     3.740623 
1 1 1 16 20 28 o 49.410  3.0284 24.697   2.1051  47.718  4.5495 51.103  3.9983 -3.384846      6.056725 
1 1 1 16 20 30 o 68.538  2.1082 47.211   2.0412  66.175  2.9911 70.900  2.9719 -4.725403      4.216485 
1 1 1 16 20 32 o 77.849  2.1793 61.164   2.3906  78.817  2.9164 76.880  3.2390 1.936844       4.358510 
1 1 1 16 20 34 o 52.680  2.8998 27.422   2.0789  57.917  4.5200 47.443  3.6338 10.47417       5.799582 
1 1 1 16 20 36 o 19.801  5.1763 3.1666   2.0412  23.585  7.7392 16.016  6.8762 7.568550       10.35264 
1 1 1 16 20 38 o 16.956  4.9236 1.5516   1.9134  15.258  6.6023 18.653  7.3060 -3.394948      9.847249 
1 1 1 16 20 40 o 16.255  4.9199 0.9121   1.9986  17.307  7.3062 15.204  6.5909 2.102512       9.839703 
1 1 1 16 20 42 o 16.874  4.8683 1.7124   1.9427  19.174  7.1722 14.575  6.5850 4.599520       9.736611 
1 1 1 16 20 44 o 13.243  4.4329 -2.7743  2.1469  12.722  5.9360 13.765  6.5854 -1.042469      8.865828 
1 1 1 16 21 1  f 174.121 1.7762 303.413  4.3735  174.303 2.5276 173.938 2.4962 0.3647308      3.552422 
1 1 1 16 21 3  o 275.733 2.2934 761.554  8.9386  279.221 3.1786 272.245 3.3069 6.975403       4.586822 
1 1 1 16 21 5  o 153.096 1.6880 234.945  3.6216  151.420 2.5722 154.773 2.1865 -3.352264      3.375953 
1 1 1 16 21 7  o 101.479 1.6462 103.055  2.3625  101.227 2.3338 101.730 2.3223 -0.5033722     3.292383 
1 1 1 16 21 9  o 176.313 1.9604 310.578  4.8593  173.592 2.6115 179.033 2.9245 -5.441132      3.920768 
1 1 1 16 21 11 o 140.143 1.7728 196.565  3.5071  139.852 2.4198 140.434 2.5916 -0.5821991     3.545645 
1 1 1 16 21 13 o 150.362 1.8941 226.612  4.0216  153.189 2.5842 147.535 2.7698 5.654343       3.788139 
1 1 1 16 21 15 o 63.565  2.2458 40.932   1.9464  61.188  3.6523 65.942  2.6143 -4.754192      4.491537 
1 1 1 16 21 17 o 87.514  2.2186 76.748   2.7456  86.784  3.1637 88.243  3.1114 -1.459206      4.437279 
1 1 1 16 21 19 o 202.617 1.9052 411.087  5.4575  199.283 2.6914 205.952 2.6972 -6.669037      3.810319 
1 1 1 16 21 21 o 133.439 1.6244 177.999  3.0529  131.060 2.1923 135.819 2.3976 -4.758759      3.248809 
1 1 1 16 21 23 o 82.774  2.1923 68.887   2.5397  83.760  2.8205 81.787  3.3570 1.972183       4.384580 
1 1 1 16 21 25 o 120.719 1.8717 146.289  3.1912  122.207 2.5601 119.230 2.7312 2.977356       3.743470 
1 1 1 16 21 27 o 105.773 1.8578 112.279  2.7771  104.562 2.6869 106.984 2.5663 -2.422356      3.715549 
1 1 1 16 21 29 o 42.240  3.3838 18.105   1.9865  42.467  5.2623 42.014  4.2553 0.4537086      6.767548 
1 1 1 16 21 31 o 116.027 1.9154 135.386  3.0961  115.662 2.4290 116.392 2.9623 -0.7295609     3.830860 
1 1 1 16 21 33 o 94.044  1.8977 89.197   2.5185  94.047  2.7836 94.040  2.5801 0.6851196E-02  3.795406 
1 1 1 16 21 35 o 24.492  5.2203 6.6610   1.9711  21.802  7.2550 27.183  7.5079 -5.381672      10.44051 
1 1 1 16 21 37 o 45.875  3.5425 22.412   2.2662  41.041  5.4452 50.710  4.5329 -9.669327      7.085006 
1 1 1 16 21 39 o 27.730  5.3594 9.3333   2.1987  24.931  8.0821 30.529  7.0406 -5.598816      10.71874 
1 1 1 16 21 41 o 25.045  5.5758 7.8897   2.1987  24.171  7.7283 25.920  8.0392 -1.749491      11.15153 
1 1 1 16 21 43 o 28.201  5.6941 10.843   2.3735  27.807  8.5703 28.594  7.4994 -0.7873650     11.38817 
1 1 1 16 22 0  o 166.840 2.4122 278.643  8.0452  166.840 2.4122 ?       ?      0.000000       0.000000 
1 1 1 16 22 2  o 151.436 1.7739 229.513  3.7988  152.594 2.5106 150.277 2.5068 2.316757       3.547849 
1 1 1 16 22 4  o 130.303 1.5077 169.933  2.7771  131.210 2.0925 129.395 2.1712 1.815002       3.015398 
1 1 1 16 22 6  o 193.149 1.8700 373.461  5.1080  193.562 2.6390 192.736 2.6503 0.8264313      3.740065 
1 1 1 16 22 8  o 134.975 1.6558 182.340  3.1603  135.589 2.3546 134.361 2.3286 1.227402       3.311515 
1 1 1 16 22 10 o 235.829 2.0584 556.856  6.8566  237.374 2.9858 234.285 2.8343 3.088318       4.116826 
1 1 1 16 22 12 o 114.965 1.5354 132.229  2.4754  115.345 2.3250 114.584 2.0060 0.7604675      3.070777 
1 1 1 16 22 14 o 46.772  2.7416 22.220   1.6857  45.378  4.6433 48.165  2.9164 -2.787014      5.483241 
1 1 1 16 22 16 o 168.994 1.7801 285.527  4.2170  170.620 2.6944 167.368 2.3271 3.251099       3.560269 
1 1 1 16 22 18 o 120.507 1.7184 145.123  2.8459  121.435 2.7342 119.579 2.0824 1.855652       3.436884 
1 1 1 16 22 20 o 185.216 1.8212 344.147  4.7395  186.637 2.3948 183.795 2.7445 2.842041       3.642390 
1 1 1 16 22 22 o 216.818 2.1243 471.791  6.5127  214.624 3.0345 219.012 2.9737 -4.387878      4.248639 
1 1 1 16 22 24 o 60.855  2.1194 37.221   1.8192  57.712  3.0978 63.998  2.8933 -6.286304      4.238815 
1 1 1 16 22 26 o 112.882 1.8235 127.885  2.8964  113.354 2.4221 112.409 2.7265 0.9442444      3.646972 
1 1 1 16 22 28 o 28.035  4.1784 8.7029   1.6866  19.884  7.0975 36.185  4.4114 -16.30016      8.356709 
1 1 1 16 22 30 o 29.673  4.0958 9.3836   1.6380  27.491  6.7712 31.856  4.6100 -4.365164      8.191550 
1 1 1 16 22 32 o 16.399  4.9784 0.0097   2.0993  17.082  7.0797 15.717  7.0012 1.364376       9.956818 
1 1 1 16 22 34 o 22.015  5.3660 5.0036   2.0897  19.940  7.8555 24.090  7.3123 -4.150133      10.73209 
1 1 1 16 22 36 o 25.597  5.4986 7.6354   2.2543  22.552  8.5084 28.643  6.9675 -6.090828      10.99721 
1 1 1 16 22 38 o 23.035  5.5641 6.1698   2.2183  21.429  8.1598 24.641  7.5668 -3.212252      11.12827 
1 1 1 16 22 40 o 24.084  5.2204 6.9312   2.0707  19.039  7.3369 29.129  7.4283 -10.09048      10.44072 
1 1 1 16 22 42 o 15.447  4.5520 0.5108   1.8701  12.377  5.9139 18.517  6.9216 -6.140349      9.104037 
1 1 1 16 23 1  o 129.644 1.5846 168.139  2.9020  130.896 2.2926 128.392 2.1882 2.503952       3.169259 
1 1 1 16 23 3  o 65.689  2.2323 43.045   2.0629  68.110  3.2811 63.269  3.0276 4.841110       4.464538 
1 1 1 16 23 5  o 136.065 1.6119 185.514  3.0938  134.207 2.3788 137.923 2.1758 -3.715714      3.223818 
1 1 1 16 23 7  o 74.331  2.1781 55.250   2.2123  74.782  3.5007 73.880  2.5927 0.9018250      4.356275 
1 1 1 16 23 9  o 53.693  2.5183 29.228   1.7724  52.297  4.2732 55.088  2.6658 -2.790882      5.036536 
1 1 1 16 23 11 o 70.380  2.1893 49.263   2.1240  72.355  3.4416 68.405  2.7069 3.949585       4.378582 
1 1 1 16 23 13 o 51.948  2.4526 27.182   1.7787  50.464  3.7958 53.432  3.1070 -2.967560      4.905224 
1 1 1 16 23 15 o 69.702  2.3107 48.548   2.2303  70.641  3.6155 68.762  2.8786 1.878593       4.621468 
1 1 1 16 23 17 o 75.514  1.9805 56.688   2.0587  77.770  3.1198 73.258  2.4404 4.512848       3.960958 
1 1 1 16 23 19 o 166.842 1.9290 278.435  4.4758  168.706 2.9899 164.979 2.4382 3.726273       3.858066 
1 1 1 16 23 21 o 88.125  1.8973 77.849   2.3556  87.632  2.5502 88.618  2.8100 -0.9856415     3.794660 
1 1 1 16 23 23 o 80.792  2.1393 65.201   2.3658  82.200  3.4178 79.383  2.5739 2.816689       4.278557 
1 1 1 16 23 25 f 19.699  4.9647 3.2609   1.7855  22.320  7.2550 17.078  6.7792 5.242376       9.929376 
1 1 1 16 23 27 o 22.870  5.3888 4.9304   2.1654  25.848  7.1662 19.891  8.0501 5.956474       10.77770 
1 1 1 16 23 29 o 98.257  1.8614 97.191   2.5855  97.794  2.6769 98.720  2.5871 -0.9256821     3.722783 
1 1 1 16 23 31 o 37.638  3.7161 14.595   1.9711  39.421  5.3450 35.855  5.1643 3.565708       7.432294 
1 1 1 16 23 33 o 72.608  2.4573 53.966   2.5217  73.289  3.3977 71.927  3.5508 1.361923       4.914564 
1 1 1 16 23 35 o 100.938 1.9014 103.251  2.6952  98.423  2.5301 103.454 2.8391 -5.030838      3.802836 
1 1 1 16 23 37 o 66.281  2.4877 45.416   2.3196  65.240  3.3276 67.323  3.6989 -2.082756      4.975384 
1 1 1 16 23 39 o 19.872  5.2022 4.0963   2.0354  17.829  7.5784 21.916  7.1288 -4.087240      10.40441 
1 1 1 16 23 41 o 12.128  4.1505 -4.7024  2.1240  12.712  6.1790 11.544  5.5430 1.168912       8.300903 
1 1 1 16 24 0  o 151.051 2.3261 228.457  7.0236  151.051 2.3261 ?       ?      0.000000       0.000000 
1 1 1 16 24 2  o 88.334  1.7651 78.190   2.2024  89.781  2.4180 86.887  2.5720 2.894714       3.530181 
1 1 1 16 24 4  o 105.152 1.6746 110.632  2.4885  102.393 2.3696 107.912 2.3668 -5.519157      3.349122 
1 1 1 16 24 6  o 146.632 1.7432 215.029  3.5847  147.792 2.6354 145.471 2.2824 2.320969       3.486336 
1 1 1 16 24 8  o 191.091 1.9662 365.745  5.2719  191.036 2.9747 191.146 2.5721 -0.1102295     3.932476 
1 1 1 16 24 10 o 102.735 1.6898 106.301  2.3994  100.113 2.6787 105.358 2.0605 -5.245399      3.379522 
1 1 1 16 24 12 o 88.936  1.9249 79.267   2.3429  88.806  3.0917 89.067  2.2940 -0.2610550     3.849788 
1 1 1 16 24 14 o 88.207  1.8273 77.759   2.2303  89.091  2.8668 87.323  2.2667 1.767563       3.654626 
1 1 1 16 24 16 o 117.443 1.7845 138.311  2.8872  117.165 2.8338 117.721 2.1695 -0.5562897     3.568947 
1 1 1 16 24 18 o 46.914  2.8766 22.572   1.8164  44.153  4.7722 49.675  3.2134 -5.521904      5.753287 
1 1 1 16 24 20 o 62.983  2.5382 40.004   2.0987  62.551  4.2873 63.416  2.7185 -0.8648682     5.076491 
1 1 1 16 24 22 o 41.670  3.9250 17.679   2.2915  40.412  6.0040 42.928  5.0571 -2.516327      7.850009 
1 1 1 16 24 24 o 49.368  3.0238 24.646   2.0993  49.402  4.0067 49.335  4.5298 0.6703186E-01  6.047518 
1 1 1 16 24 26 o 87.963  2.5545 77.684   2.9984  86.827  2.8680 89.099  4.2281 -2.272102      5.109015 
1 1 1 16 24 28 o 85.101  2.0435 72.896   2.4479  83.797  2.7431 86.406  3.0297 -2.609024      4.087027 
1 1 1 16 24 30 o 110.274 1.9048 122.716  2.9660  110.248 2.6062 110.299 2.7787 -0.5046082E-01 3.809604 
1 1 1 16 24 32 o 36.622  4.5297 15.283   2.1240  31.617  7.8921 41.627  4.4482 -10.00946      9.059395 
1 1 1 16 24 34 o 39.712  3.8190 16.874   2.1347  39.108  5.7144 40.316  5.0680 -1.208294      7.637948 
1 1 1 16 24 36 o 31.167  4.9555 11.089   2.5397  43.916  6.2519 18.419  7.6903 25.49697       9.910969 
1 1 1 16 24 38 o 34.575  5.0700 14.370   2.3994  32.712  8.2051 36.437  5.9579 -3.725864      10.14004 
1 1 1 16 24 40 o 22.401  5.2905 5.9946   2.2329  28.454  7.8343 16.347  7.1122 12.10640       10.58109 
1 1 1 16 25 1  o 84.003  1.9936 70.748   2.3556  84.732  2.6374 83.274  2.9903 1.458595       3.987266 
1 1 1 16 25 3  o 75.739  2.0873 57.465   2.2329  75.743  2.8662 75.735  3.0351 0.7621765E-02  4.174506 
1 1 1 16 25 5  o 150.566 1.7393 226.663  3.6934  153.058 2.5447 148.073 2.3716 4.984131       3.478544 
1 1 1 16 25 7  o 176.271 1.8450 311.232  4.5937  176.010 2.6845 176.533 2.5318 -0.5225830     3.690070 
1 1 1 16 25 9  o 56.888  2.8173 32.618   2.1892  56.126  4.5505 57.650  3.3227 -1.524120      5.634506 
1 1 1 16 25 11 o 43.645  2.9861 19.032   1.7520  44.333  4.8968 42.957  3.4187 1.376450       5.972110 
1 1 1 16 25 13 o 89.857  1.8973 80.625   2.3429  91.104  3.0137 88.611  2.3058 2.492996       3.794616 
1 1 1 16 25 15 o 39.226  4.2367 15.718   2.1180  39.450  7.2291 39.003  4.4201 0.4472237      8.473335 
1 1 1 16 25 17 o 40.720  3.2664 16.504   1.8571  44.987  4.6837 36.453  4.5541 8.534039       6.532703 
1 1 1 16 25 19 o 43.959  3.9657 18.687   2.2389  47.979  6.6540 39.939  4.3165 8.040295       7.931399 
1 1 1 16 25 21 o 119.344 2.2237 142.596  3.6739  121.089 3.4802 117.598 2.7691 3.491547       4.447410 
1 1 1 16 25 23 o 20.783  4.7933 2.9413   1.9427  13.790  6.2474 27.776  7.2712 -13.98596      9.586501 
1 1 1 16 25 25 o 61.983  3.1270 37.891   2.5150  58.334  3.3932 65.632  5.2534 -7.298435      6.253951 
1 1 1 16 25 27 o 61.759  2.4136 38.630   2.1071  60.673  3.4728 62.844  3.3528 -2.171127      4.827215 
1 1 1 16 25 29 o 96.765  1.7990 94.364   2.4479  97.272  2.6913 96.257  2.3880 1.015053       3.597992 
1 1 1 16 25 31 o 43.970  3.2950 20.129   2.0253  44.373  5.0363 43.567  4.2501 0.8061066      6.589965 
1 1 1 16 25 33 o 47.973  2.9629 23.767   1.9865  50.018  4.4679 45.928  3.8926 4.089706       5.925803 
1 1 1 16 25 35 o 65.880  2.7798 45.359   2.5855  64.294  4.0717 67.467  3.7856 -3.172867      5.559656 
1 1 1 16 25 37 o 15.719  4.8952 0.3483   2.0897  16.615  7.2730 14.822  6.5541 1.793227       9.790432 
1 1 1 16 25 39 o 27.007  5.8664 10.065   2.4379  28.928  8.6263 25.085  7.9528 3.842827       11.73289 
1 1 1 16 26 0  o 120.365 2.5488 145.196  6.1296  120.365 2.5488 ?       ?      0.000000       0.000000 
1 1 1 16 26 2  o 137.889 1.7536 190.228  3.4014  139.194 2.6147 136.585 2.3374 2.609756       3.507127 
1 1 1 16 26 4  o 96.127  1.7853 92.462   2.4196  97.314  2.6245 94.941  2.4211 2.373299       3.570685 
1 1 1 16 26 6  o 57.686  2.6189 34.108   2.0511  53.455  4.3001 61.916  2.9906 -8.460258      5.237780 
1 1 1 16 26 8  o 60.078  2.5147 35.964   2.1156  62.974  3.7515 57.182  3.3499 5.792576       5.029440 
1 1 1 16 26 10 o 76.394  2.0834 58.359   2.1892  77.238  3.3067 75.550  2.5354 1.688042       4.166835 
1 1 1 16 26 12 o 40.474  3.5194 16.200   1.9702  46.651  4.9272 34.297  5.0265 12.35395       7.038741 
1 1 1 16 26 14 o 54.108  2.7171 29.216   2.0354  55.949  4.2226 52.267  3.4205 3.681515       5.434172 
1 1 1 16 26 16 o 79.204  2.4372 63.060   2.5844  79.203  4.0308 79.205  2.7409 -0.1930237E-02 4.874411 
1 1 1 16 26 18 o 238.618 2.1907 572.079  7.3436  238.001 3.2998 239.235 2.8825 -1.233643      4.381483 
1 1 1 16 26 20 o 104.012 2.2606 108.336  2.9940  104.802 3.8992 103.222 2.2887 1.580078       4.521261 
1 1 1 16 26 22 o 80.561  2.1261 64.541   2.3843  85.364  3.2163 75.758  2.7813 9.606339       4.252106 
1 1 1 16 26 24 o 99.101  2.2378 98.422   2.9779  97.375  2.5573 100.826 3.6730 -3.451019      4.475543 
1 1 1 16 26 26 o 41.982  3.2828 18.060   1.9427  41.806  4.4292 42.158  4.8466 -0.3523636     6.565591 
1 1 1 16 26 28 o 29.665  4.8802 9.7418   2.0067  28.825  6.7559 30.505  7.0444 -1.679342      9.760437 
1 1 1 16 26 30 o 33.755  4.8491 12.807   2.2183  33.907  7.3621 33.603  6.3129 0.3044968      9.698134 
1 1 1 16 26 32 o 22.602  5.6825 5.4202   2.2702  25.240  8.5206 19.964  7.5208 5.275803       11.36501 
1 1 1 16 26 34 o 42.590  4.0321 19.787   2.4196  45.378  5.6283 39.801  5.7752 5.576618       8.064182 
1 1 1 16 26 36 o 55.846  3.2045 33.471   2.5023  55.993  4.9034 55.699  4.1269 0.2942543      6.408938 
1 1 1 16 26 38 o 37.619  4.4163 17.676   2.1385  26.976  7.6783 48.262  4.3659 -21.28655      8.832686 
1 1 1 16 27 1  o 115.744 1.8538 133.974  3.0164  117.875 2.7626 113.614 2.4728 4.261246       3.707621 
1 1 1 16 27 3  o 129.421 1.8872 167.969  3.4373  129.106 2.8190 129.735 2.5100 -0.6287689     3.774500 
1 1 1 16 27 5  o 136.231 1.7077 185.857  3.2806  137.271 2.5118 135.190 2.3143 2.080872       3.415379 
1 1 1 16 27 7  o 97.179  1.8884 94.934   2.5824  94.673  2.8326 99.685  2.4980 -5.012802      3.776756 
1 1 1 16 27 9  o 73.441  2.1320 53.945   2.1654  74.450  3.3448 72.433  2.6445 2.017029       4.263935 
1 1 1 16 27 11 f 28.114  5.3539 8.4247   2.2447  24.363  8.4072 31.865  6.6314 -7.502340      10.70778 
1 1 1 16 27 13 o 44.940  3.7976 20.134   2.1899  46.274  6.4853 43.606  3.9535 2.667427       7.595290 
1 1 1 16 27 15 o 59.640  2.6945 36.030   2.1892  58.354  4.3768 60.926  3.1440 -2.572277      5.388945 
1 1 1 16 27 17 f 110.068 2.1885 121.171  3.3070  111.954 3.4790 108.182 2.6560 3.772713       4.376928 
1 1 1 16 27 19 o 140.978 1.9317 199.509  3.7789  141.930 3.0141 140.026 2.4168 1.904572       3.863387 
1 1 1 16 27 21 o 63.212  2.9221 41.302   2.4538  59.744  4.9162 66.680  3.1600 -6.935741      5.844137 
1 1 1 16 27 23 o 78.903  2.2192 63.061   2.4379  77.658  3.4532 80.147  2.7883 -2.488716      4.438428 
1 1 1 16 27 25 o 84.572  2.1354 72.343   2.5540  84.384  3.0267 84.761  3.0132 -0.3774872     4.270843 
1 1 1 16 27 27 o 53.215  2.7140 28.976   2.0352  56.185  3.8639 50.246  3.8123 5.938427       5.427983 
1 1 1 16 27 29 o 14.611  4.6548 -1.4047  2.0432  15.525  6.8259 13.697  6.3306 1.827788       9.309698 
1 1 1 16 27 31 o 24.967  5.2480 7.2414   2.1409  20.662  8.0897 29.272  6.6874 -8.610359      10.49599 
1 1 1 16 27 33 o 36.380  4.3870 14.837   2.1802  37.072  6.7985 35.687  5.5464 1.384693       8.773989 
1 1 1 16 27 35 o 25.965  5.4334 8.3105   2.4545  19.078  7.9827 32.852  7.3730 -13.77450      10.86672 
1 1 1 16 27 37 o 36.899  3.9642 15.428   2.0354  40.099  5.8916 33.698  5.3054 6.400715       7.928303 
1 1 1 16 28 0  o 131.557 2.6718 173.546  7.0236  131.557 2.6718 ?       ?      0.000000       0.000000 
1 1 1 16 28 2  o 97.963  1.9644 94.957   2.6291  102.307 3.1205 93.620  2.3871 8.686798       3.928844 
1 1 1 16 28 4  o 97.662  1.9721 95.516   2.6832  98.575  3.0444 96.749  2.5079 1.826157       3.944301 
1 1 1 16 28 6  o 64.893  2.7153 42.043   2.4492  67.346  4.1716 62.440  3.4768 4.905560       5.430528 
1 1 1 16 28 8  o 91.594  2.1541 83.960   2.7331  92.938  3.3664 90.250  2.6884 2.687897       4.308180 
1 1 1 16 28 10 o 46.710  3.4643 21.550   2.2348  51.338  5.2236 42.081  4.5520 9.257336       6.928680 
1 1 1 16 28 12 o 40.847  4.4615 17.581   2.3843  37.871  7.5169 43.823  4.8081 -5.951378      8.923083 
1 1 1 16 28 14 o 24.075  5.2908 5.4821   2.2303  19.199  8.0048 28.952  6.9206 -9.752796      10.58166 
1 1 1 16 28 16 o 59.355  3.1955 35.756   2.6817  58.602  4.5761 60.108  4.4615 -1.506031      6.391086 
1 1 1 16 28 18 o 45.480  3.3718 20.645   1.9136  46.799  5.8667 44.161  3.3255 2.638180       6.743696 
1 1 1 16 28 20 o 42.458  4.6132 18.719   2.4294  43.046  8.0122 41.870  4.5749 1.175777       9.226329 
1 1 1 16 28 22 o 34.771  5.2025 12.909   2.3264  34.914  8.9259 34.628  5.3473 0.2859726      10.40505 
1 1 1 16 28 24 o 15.485  4.9180 -1.0438  2.0358  17.455  7.8104 13.515  5.9786 3.940069       9.836012 
1 1 1 16 28 26 o 14.205  4.5846 -1.9332  2.0157  14.518  6.7821 13.892  6.1706 0.6263123      9.169117 
1 1 1 16 28 28 o 25.466  5.5143 7.5843   2.1987  27.226  7.5028 23.706  8.0833 3.520531       11.02867 
1 1 1 16 28 30 o 57.412  2.7938 34.449   2.2662  59.266  3.8784 55.558  4.0224 3.708519       5.587675 
1 1 1 16 28 32 o 47.796  3.5354 24.986   2.3091  44.442  5.7469 51.150  4.1194 -6.708427      7.070747 
1 1 1 16 28 34 o 32.246  4.9047 12.627   2.1634  30.631  7.5440 33.861  6.2699 -3.229851      9.809371 
1 1 1 16 28 36 o 14.904  4.8333 -1.4100  2.3091  17.749  7.7180 12.060  5.8204 5.689647       9.666690 
1 1 1 16 29 1  o 65.096  2.6355 42.629   2.4246  65.771  3.7861 64.420  3.6673 1.351143       5.271011 
1 1 1 16 29 3  o 67.703  2.5005 46.029   2.3906  70.187  3.5479 65.220  3.5244 4.967148       5.000921 
1 1 1 16 29 5  o 53.124  3.2320 28.479   2.4246  55.334  4.5002 50.914  4.6401 4.420280       6.463926 
1 1 1 16 29 7  o 155.295 2.0220 242.730  4.3603  153.304 3.1654 157.287 2.5169 -3.983200      4.044044 
1 1 1 16 29 9  o 183.326 1.9352 337.524  5.0072  182.119 2.8398 184.532 2.6297 -2.413116      3.870401 
1 1 1 16 29 11 o 88.137  2.1920 78.498   2.7043  85.390  3.3649 90.884  2.8102 -5.494514      4.384016 
1 1 1 16 29 13 o 59.449  2.9425 36.364   2.2227  57.402  5.1168 61.497  2.9071 -4.095760      5.884981 
1 1 1 16 29 15 o 65.713  2.7626 42.148   2.2695  69.609  4.7698 61.816  2.7889 7.793324       5.525290 
1 1 1 16 29 17 o 22.558  5.8768 4.4291   2.4732  21.973  8.7427 23.143  7.8556 -1.169182      11.75351 
1 1 1 16 29 19 o 29.390  5.7065 9.5046   2.4081  29.420  8.8407 29.360  7.2178 0.5986023E-01  11.41293 
1 1 1 16 29 21 o 26.410  5.8016 6.3601   2.4621  35.339  9.1462 17.482  7.1400 17.85742       11.60318 
1 1 1 16 29 23 o 66.950  2.8116 46.813   2.3439  64.496  4.9499 69.404  2.6679 -4.907822      5.623146 
1 1 1 16 29 25 o 44.640  4.0381 19.695   2.0710  48.613  7.2240 40.668  3.6111 7.944771       8.076249 
1 1 1 16 29 27 o 57.819  2.8144 34.671   2.2986  59.420  3.8684 56.217  4.0888 3.202541       5.628779 
1 1 1 16 29 29 o 55.392  2.8133 31.903   2.1802  57.039  4.2538 53.745  3.6829 3.293846       5.626563 
1 1 1 16 29 31 o 21.920  5.2610 5.3958   2.1271  18.000  7.5544 25.841  7.3241 -7.841396      10.52199 
1 1 1 16 29 33 o 16.239  5.1747 -0.1035  2.5120  16.365  7.4467 16.112  7.1872 0.2527466      10.34937 
1 1 1 16 29 35 o 14.560  4.7264 -1.8389  2.3599  13.015  6.3454 16.104  7.0066 -3.089431      9.452870 
1 1 1 16 30 0  o 38.080  5.5783 15.196   4.0864  38.080  5.5783 ?       ?      0.000000       0.000000 
1 1 1 16 30 2  o 128.690 1.8803 166.486  3.4133  130.863 2.5372 126.517 2.7757 4.345840       3.760582 
1 1 1 16 30 4  o 76.171  2.5224 58.340   2.6952  75.046  3.3182 77.296  3.7998 -2.249603      5.044705 
1 1 1 16 30 6  o 67.583  2.8070 46.124   2.6756  67.003  3.8118 68.163  4.1216 -1.159828      5.614077 
1 1 1 16 30 8  o 114.646 2.0281 132.224  3.2880  115.113 2.8843 114.180 2.8520 0.9333420      4.056232 
1 1 1 16 30 10 o 124.231 2.0216 155.440  3.5365  122.809 3.0155 125.652 2.6932 -2.842842      4.043105 
1 1 1 16 30 12 o 102.021 2.3548 104.738  3.3407  103.202 3.6503 100.841 2.9759 2.360794       4.709667 
1 1 1 16 30 14 o 22.454  5.5084 4.5098   2.2776  19.586  8.1866 25.323  7.3722 -5.736696      11.01681 
1 1 1 16 30 16 o 66.643  3.1000 45.493   2.8037  65.669  5.0560 67.617  3.5883 -1.948257      6.199919 
1 1 1 16 30 18 o 41.400  4.6870 18.540   2.5193  39.119  7.9479 43.680  4.9700 -4.560780      9.373906 
1 1 1 16 30 20 o 56.123  3.5134 33.831   2.4121  51.956  6.2676 60.289  3.1772 -8.333508      7.026872 
1 1 1 16 30 22 o 41.104  4.7513 18.350   2.1218  40.484  8.7643 41.725  3.6727 -1.240906      9.502701 
1 1 1 16 30 24 o 19.648  5.8236 2.1603   2.4978  23.342  9.4100 15.953  6.8635 7.388660       11.64716 
1 1 1 16 30 26 o 20.489  5.5950 3.5774   2.0840  25.404  9.1827 15.574  6.3949 9.830349       11.18998 
1 1 1 16 30 28 o 20.907  5.4002 4.5334   2.1690  23.604  7.7392 18.211  7.5335 5.393063       10.80041 
1 1 1 16 30 30 o 22.023  5.8032 5.7465   2.4196  21.955  8.0266 22.091  8.3835 -0.1357708     11.60646 
1 1 1 16 30 32 o 46.418  4.3261 25.085   2.6714  46.004  7.2173 46.833  4.7718 -0.8292694     8.652138 
1 1 1 16 30 34 o 32.014  5.7034 14.839   2.6832  26.530  9.2221 37.498  6.7134 -10.96751      11.40689 
1 1 1 16 31 1  o 53.460  3.0827 28.957   2.3266  54.146  4.4811 52.774  4.2346 1.371265       6.165370 
1 1 1 16 31 3  o 34.782  5.0123 12.918   2.4246  40.802  6.1030 28.762  7.9526 12.04050       10.02454 
1 1 1 16 31 5  o 52.945  3.1574 28.384   2.3469  53.965  4.7328 51.926  4.1808 2.038445       6.314898 
1 1 1 16 31 7  o 63.162  2.9631 40.017   2.6033  66.577  4.5075 59.747  3.8472 6.829861       5.926104 
1 1 1 16 31 9  o 100.371 2.3599 101.969  3.2760  99.428  3.7246 101.314 2.8990 -1.886520      4.719870 
1 1 1 16 31 11 o 77.831  2.6271 61.237   2.8222  78.592  4.1434 77.071  3.2310 1.521645       5.254247 
1 1 1 16 31 13 f 46.418  4.3145 23.445   2.4973  42.036  7.5667 50.799  4.1478 -8.762844      8.629015 
1 1 1 16 31 15 o 36.255  6.1637 14.637   2.8656  34.629  10.914 37.882  5.7308 -3.252537      12.32740 
1 1 1 16 31 17 o 26.779  6.0253 7.9205   2.6033  24.993  9.1680 28.565  7.8208 -3.572308      12.05062 
1 1 1 16 31 19 o 49.807  3.7698 26.837   2.4312  46.186  6.4976 53.427  3.8243 -7.241642      7.539504 
1 1 1 16 31 21 o 20.137  5.9108 2.6261   2.3978  23.770  9.6907 16.503  6.7706 7.267420       11.82163 
1 1 1 16 31 23 o 37.324  6.3104 16.492   3.0210  36.412  11.097 38.236  6.0116 -1.824482      12.62076 
1 1 1 16 31 25 o 55.870  3.4926 34.289   2.3609  52.026  6.2591 59.714  3.1009 -7.687878      6.985152 
1 1 1 16 31 27 o 43.118  5.0255 22.047   2.5834  39.731  9.0399 46.506  4.3934 -6.775665      10.05094 
1 1 1 16 31 29 o 27.445  5.8160 9.7987   2.6163  22.213  8.5442 32.677  7.8932 -10.46316      11.63208 
1 1 1 16 31 31 o 16.545  5.1281 -0.7662  2.5540  12.567  6.1392 20.523  8.2157 -7.956728      10.25613 
1 1 1 16 31 33 o 15.959  5.0670 0.6267   2.4246  17.273  7.4656 14.646  6.8530 2.627170       10.13400 
1 1 1 16 32 0  o 62.221  4.2475 39.587   5.2357  62.221  4.2475 ?       ?      0.000000       0.000000 
1 1 1 16 32 2  o 39.378  4.6638 16.276   2.4732  40.041  7.4540 38.715  5.6074 1.325554       9.327626 
1 1 1 16 32 4  o 35.912  4.8088 13.664   2.3837  40.087  6.3711 31.737  7.2046 8.350704       9.617588 
1 1 1 16 32 6  o 37.617  4.8612 15.260   2.4902  37.359  6.9254 37.874  6.8239 -0.5149956     9.722482 
1 1 1 16 32 8  o 104.711 2.4509 111.423  3.5847  106.379 3.1211 103.044 3.7798 3.335312       4.901897 
1 1 1 16 32 10 o 80.828  2.7947 67.003   3.0453  79.045  4.6043 82.611  3.1689 -3.565956      5.589435 
1 1 1 16 32 12 o 34.813  5.7352 13.340   2.6714  36.557  9.1057 33.068  6.9754 3.488800       11.47043 
1 1 1 16 32 14 o 63.089  3.8563 42.409   2.9586  60.351  6.8768 65.827  3.4919 -5.475117      7.712626 
1 1 1 16 32 16 o 30.641  5.3837 10.645   2.2321  31.610  8.6426 29.672  6.4219 1.938208       10.76734 
1 1 1 16 32 18 o 42.321  4.2164 18.774   2.3264  44.164  7.0842 40.478  4.5745 3.686245       8.432825 
1 1 1 16 32 20 o 37.817  5.6649 16.680   2.7692  36.179  9.8125 39.456  5.6640 -3.276516      11.32984 
1 1 1 16 32 22 o 27.120  6.2620 8.7321   2.6157  31.713  9.8481 22.526  7.7374 9.186386       12.52402 
1 1 1 16 32 24 o 38.403  5.1696 16.473   2.3837  40.101  9.1199 36.705  4.8708 3.396465       10.33914 
1 1 1 16 32 26 o 23.097  6.2244 6.2148   2.6392  23.733  9.9350 22.460  7.5010 1.272770       12.44870 
1 1 1 16 32 28 o 19.615  5.7692 3.0401   2.7875  18.096  8.4245 21.134  7.8844 -3.037668      11.53845 
1 1 1 16 32 30 o 41.437  4.0161 19.895   2.2776  41.646  6.4393 41.228  4.8011 0.4183083      8.032154 
1 1 1 16 33 1  f 121.340 2.2891 149.170  3.9265  118.906 3.2756 123.773 3.1984 -4.867966      4.578114 
1 1 1 16 33 3  o 104.054 2.7296 109.028  3.8555  100.666 3.2348 107.442 4.3976 -6.776756      5.459256 
1 1 1 16 33 5  o 63.042  3.6869 41.038   3.2806  65.315  5.2789 60.769  5.1485 4.546875       7.373850 
1 1 1 16 33 7  o 26.895  6.8380 6.9032   3.0439  32.303  11.027 21.487  8.0886 10.81631       13.67590 
1 1 1 16 33 9  o 45.815  5.3510 22.940   3.2643  46.400  8.7150 45.229  6.2115 1.170921       10.70208 
1 1 1 16 33 11 o 58.914  3.1122 36.059   2.5824  57.749  4.6437 60.079  4.1448 -2.329464      6.224448 
1 1 1 16 33 13 o 49.443  4.5187 26.434   3.0016  48.761  7.4640 50.125  5.0953 -1.364311      9.037310 
1 1 1 16 33 15 o 49.356  3.7458 25.143   2.4121  51.885  6.2761 46.826  4.0907 5.058704       7.491579 
1 1 1 16 33 17 o 52.616  4.0802 29.701   2.8451  52.367  6.8280 52.865  4.4689 -0.4978104     8.160387 
1 1 1 16 33 19 o 36.630  5.8899 16.371   2.9116  34.076  10.021 39.184  6.1921 -5.107983      11.77988 
1 1 1 16 33 21 o 22.018  5.8294 5.0655   2.2986  22.436  9.3241 21.600  6.9990 0.8355942      11.65871 
1 1 1 16 33 23 o 24.457  6.0758 7.2865   2.4789  24.668  9.7123 24.246  7.3028 0.4216843      12.15155 
1 1 1 16 33 25 o 24.371  6.2596 7.4586   2.6102  24.999  10.039 23.743  7.4794 1.255608       12.51922 
1 1 1 16 33 27 o 42.058  5.4208 22.596   2.8847  39.749  9.4438 44.367  5.3248 -4.617764      10.84157 
1 1 1 16 33 29 o 17.184  5.5172 1.4953   2.5952  18.679  8.7283 15.689  6.7509 2.989512       11.03441 
1 1 1 16 34 0  o 33.474  9.4801 14.302   5.4911  33.474  9.4801 ?       ?      0.000000       0.000000 
1 1 1 16 34 2  o 35.702  6.1298 15.163   3.0380  31.823  10.522 39.581  6.2913 -7.758358      12.25952 
1 1 1 16 34 4  o 26.045  5.8111 7.7367   2.4545  28.701  7.9589 23.388  8.4696 5.313698       11.62227 
1 1 1 16 34 6  o 43.099  3.8550 19.751   2.2348  42.099  6.3700 44.098  4.3438 -1.998772      7.710085 
1 1 1 16 34 8  o 35.002  5.8245 14.330   2.8324  37.203  8.2823 32.801  8.1915 4.401424       11.64895 
1 1 1 16 34 10 o 34.282  5.4674 13.150   2.5182  39.957  8.1126 28.608  7.3318 11.34866       10.93477 
1 1 1 16 34 12 o 71.142  3.1640 52.879   3.0231  70.996  5.2163 71.289  3.5826 -0.2930069     6.328084 
1 1 1 16 34 14 o 58.401  3.3931 36.098   2.7683  55.984  5.2463 60.817  4.3045 -4.832405      6.786220 
1 1 1 16 34 16 o 34.560  5.2520 14.902   2.2921  28.721  9.5263 40.400  4.4253 -11.67850      10.50397 
1 1 1 16 34 18 o 37.809  5.8604 17.303   2.8733  36.131  10.173 39.488  5.8211 -3.357349      11.72081 
1 1 1 16 34 20 o 18.185  5.5462 1.7349   2.3936  19.671  8.7031 16.699  6.8774 2.971798       11.09243 
1 1 1 16 34 22 o 17.549  5.4814 0.9624   2.4917  20.235  8.7112 14.863  6.6555 5.371508       10.96272 
1 1 1 16 34 24 o 35.565  5.4314 16.300   2.5848  35.066  8.7571 36.065  6.4274 -0.9989777     10.86275 
1 1 1 16 34 26 o 26.769  5.9410 10.557   2.9359  21.120  9.5360 32.419  7.0885 -11.29875      11.88202 
1 1 1 16 35 1  o 22.027  5.9357 4.7092   2.5855  23.532  8.5696 20.521  8.2154 3.011223       11.87138 
1 1 1 16 35 3  o 22.776  6.3527 4.8862   2.9573  23.661  9.5664 21.891  8.3614 1.769894       12.70542 
1 1 1 16 35 5  o 18.993  5.7655 1.3636   2.7595  19.970  8.5165 18.015  7.7740 1.954853       11.53108 
1 1 1 16 35 7  o 21.932  5.8348 4.6376   2.5185  24.729  8.6117 19.135  7.8752 5.593199       11.66966 
1 1 1 16 35 9  o 42.776  5.1293 20.488   2.6859  42.232  9.0321 43.320  4.8640 -1.087818      10.25854 
1 1 1 16 35 11 o 52.865  3.6344 29.920   2.7043  53.066  5.4146 52.664  4.8497 0.4021797      7.268900 
1 1 1 16 35 13 o 49.250  4.3212 27.030   2.9522  46.850  6.8143 51.650  5.3158 -4.799538      8.642486 
1 1 1 16 35 15 o 20.435  5.4085 4.0549   2.0992  19.556  8.4785 21.314  6.7172 -1.758009      10.81692 
1 1 1 16 35 17 o 45.332  5.4031 25.758   2.9039  38.092  9.8275 52.572  4.4937 -14.48007      10.80614 
1 1 1 16 35 19 o 41.959  5.1027 20.181   2.3779  42.172  9.3324 41.745  4.1297 0.4270058      10.20531 
1 1 1 16 35 21 o 26.044  6.7275 9.5700   3.0269  29.032  10.618 23.055  8.2644 5.976355       13.45504 
1 1 1 16 35 23 o 30.432  6.1924 13.682   2.9140  26.522  9.8858 34.341  7.4601 -7.819647      12.38471 
1 1 1 16 35 25 o 22.898  6.1527 7.7521   2.7879  21.648  9.4717 24.148  7.8556 -2.499847      12.30543 
1 1 1 16 36 0  o 19.452  10.813 6.5127   6.1296  19.452  10.813 ?       ?      0.000000       0.000000 
1 1 1 16 36 2  o 22.634  6.3391 5.1295   3.0299  21.205  8.6853 24.062  9.2358 -2.857294      12.67810 
1 1 1 16 36 4  o 35.523  5.9203 15.643   2.9371  32.861  8.7713 38.184  7.9540 -5.323051      11.84062 
1 1 1 16 36 6  o 73.927  3.1918 58.034   3.3092  72.251  4.8605 75.604  4.1383 -3.352951      6.383570 
1 1 1 16 36 8  o 39.407  4.9569 17.946   2.6033  37.727  8.1843 41.087  5.5945 -3.359718      9.913709 
1 1 1 16 36 10 o 20.174  5.7558 3.0785   2.6680  17.806  7.9349 22.543  8.3401 -4.736898      11.51169 
1 1 1 16 36 12 o 31.129  6.2332 12.665   2.8551  28.491  10.289 33.768  7.0384 -5.277056      12.46632 
1 1 1 16 36 14 o 21.067  6.0871 4.3901   2.8037  22.114  9.1675 20.021  8.0106 2.092548       12.17426 
1 1 1 16 36 16 o 19.870  5.8652 3.3472   2.5952  20.630  9.1479 19.110  7.3429 1.519890       11.73037 
1 1 1 16 36 18 o 21.050  5.9743 5.0776   2.4978  24.143  9.5251 17.956  7.2141 6.186424       11.94865 
1 1 1 16 36 20 o 45.347  5.1091 25.166   3.1764  49.252  7.9080 41.441  6.4711 7.810917       10.21827 
1 1 1 16 36 22 o 31.695  6.0256 13.730   2.5100  34.945  9.9401 28.444  6.8138 6.501684       12.05126 
1 1 1 16 37 1  o 30.094  6.0829 11.578   2.8410  25.016  8.9003 35.173  8.2941 -10.15734      12.16582 
1 1 1 16 37 3  o 21.929  5.9373 5.0670   2.6680  19.874  8.3985 23.984  8.3946 -4.109739      11.87450 
1 1 1 16 37 5  o 37.778  5.9924 18.307   3.1108  32.870  10.206 42.685  6.2825 -9.815067      11.98474 
1 1 1 16 37 7  o 16.490  5.3522 -1.8017  2.8483  16.356  7.7721 16.625  7.3605 -0.2681522     10.70430 
1 1 1 16 37 9  o 29.240  6.3650 11.582   3.0086  25.689  10.249 32.791  7.5505 -7.102514      12.73003 
1 1 1 16 37 11 o 44.818  4.3049 22.503   2.5586  45.404  7.1719 44.231  4.7637 1.172886       8.609870 
1 1 1 16 37 13 o 39.600  5.9544 19.671   3.1049  44.943  9.1261 34.256  7.6508 10.68676       11.90881 
1 1 1 16 37 15 o 23.867  6.4099 8.0297   3.0184  22.818  9.6727 24.916  8.4134 -2.098591      12.81978 
1 1 1 16 37 17 o 44.012  5.7069 25.991   3.0761  38.685  10.237 49.339  5.0471 -10.65346      11.41375 
1 1 1 16 37 19 o 60.182  3.4722 40.786   2.8038  60.198  5.7277 60.167  3.9265 0.3088379E-01  6.944325 
1 1 1 16 38 0  o 15.961  9.9861 3.5756   6.3850  15.961  9.9861 ?       ?      0.000000       0.000000 
1 1 1 16 38 2  o 31.797  6.2303 13.524   2.9048  33.285  8.7199 30.309  8.9011 2.976488       12.46056 
1 1 1 16 38 4  o 45.204  5.1244 24.593   3.1912  48.315  6.7399 42.093  7.7210 6.222431       10.24887 
1 1 1 16 38 6  f 61.744  4.0897 42.500   3.5198  68.737  5.8522 54.751  5.7144 13.98544       8.179343 
1 1 1 16 38 8  o 59.971  3.6548 40.154   3.0169  59.165  5.8277 60.778  4.4123 -1.613312      7.309619 
1 1 1 16 38 10 o 47.891  5.1667 28.838   3.2760  44.747  8.5824 51.035  5.7551 -6.288227      10.33335 
1 1 1 16 38 12 o 29.139  6.1927 12.555   2.8847  25.285  9.9679 32.993  7.3511 -7.707447      12.38537 
1 1 1 16 38 14 o 25.348  6.3974 9.9508   2.9048  24.342  8.9667 26.355  9.1271 -2.013165      12.79479 
1 1 1 16 38 16 o 15.870  5.2604 -0.3967  2.6084  17.399  8.3255 14.340  6.4321 3.059050       10.52077 
1 1 1 16 39 1  o 16.746  5.3227 0.5585   2.6494  15.730  7.2287 17.763  7.8148 -2.032864      10.64543 
1 1 1 16 39 3  o 21.621  5.9501 6.1374   2.5930  22.291  8.7824 20.952  8.0303 1.339285       11.90022 
1 1 1 16 39 5  o 30.404  6.1671 13.127   2.7979  35.251  9.0192 25.556  8.4134 9.695307       12.33412 
1 1 1 16 39 7  o 27.743  6.3050 11.732   2.8872  25.202  9.5603 30.284  8.2228 -5.081993      12.61008 
1 1 1 16 39 9  o 20.501  5.8910 3.1925   3.2837  15.589  7.5977 25.412  9.0049 -9.822311      11.78191 
1 1 1 16 39 11 o 20.366  6.1883 5.3053   3.1988  20.453  8.9709 20.279  8.5265 0.1738319      12.37658 
1 1 1 17 1  0  o 638.021 5.8355 4072.89  74.450  638.021 5.8355 ?       ?      0.000000       0.000000 
1 1 1 17 1  2  o 706.083 4.4000 4988.17  43.902  708.133 6.3568 704.033 6.0855 4.100342       8.800095 
1 1 1 17 1  4  o 563.896 3.5151 3181.29  28.029  563.040 5.0124 564.753 4.9294 -1.713135      7.030157 
1 1 1 17 1  6  o 319.477 2.3742 1020.79  10.725  317.929 3.3338 321.025 3.3812 -3.096130      4.748368 
1 1 1 17 1  8  o 339.693 2.4323 1154.18  11.684  338.500 3.4330 340.886 3.4465 -2.386230      4.864532 
1 1 1 17 1  10 o 490.750 3.1600 2408.57  21.919  484.713 4.4129 496.787 4.5241 -12.07373      6.319937 
1 1 1 17 1  12 o 518.640 3.3300 2691.52  24.413  520.338 4.7857 516.943 4.6318 3.395325       6.660071 
1 1 1 17 1  14 o 61.087  1.7920 36.491   1.4366  64.114  2.9877 58.059  1.9796 6.055485       3.583954 
1 1 1 17 1  16 o 259.167 1.9177 671.938  7.0143  258.955 2.8109 259.380 2.6094 -0.4249878     3.835346 
1 1 1 17 1  18 o 224.135 1.8019 503.878  5.6569  228.057 2.3238 220.213 2.7545 7.844513       3.603797 
1 1 1 17 1  20 o 69.731  1.5237 48.689   1.4998  70.922  2.0707 68.540  2.2358 2.381691       3.047360 
1 1 1 17 1  22 o 206.639 1.7630 427.219  5.1160  206.631 2.3176 206.647 2.6573 -0.1591492E-01 3.525918 
1 1 1 17 1  24 o 123.635 1.4486 152.973  2.5023  123.872 1.8556 123.398 2.2250 0.4741745      2.897229 
1 1 1 17 1  26 f 80.086  1.4409 64.204   1.6226  80.447  1.9049 79.725  2.1624 0.7219696      2.881732 
1 1 1 17 1  28 o 212.884 1.9081 453.760  5.5614  213.080 2.2774 212.688 3.0621 0.3919678      3.816151 
1 1 1 17 1  30 o 175.386 1.8038 307.803  4.4549  174.343 2.4171 176.429 2.6781 -2.085449      3.607606 
1 1 1 17 1  32 o 74.394  1.8432 55.337   1.8623  74.068  2.1551 74.721  2.9908 -0.6535416     3.686401 
1 1 1 17 1  34 o 25.455  4.8653 6.6449   1.6315  25.747  4.8886 25.163  8.4134 0.5842800      9.730556 
1 1 1 17 1  36 o 46.329  3.2482 22.256   1.8973  48.897  3.1340 43.761  5.6904 5.136242       6.496353 
1 1 1 17 1  38 o 65.625  2.2652 42.959   1.9921  64.422  2.5769 66.828  3.7262 -2.406754      4.530490 
1 1 1 17 1  40 o 44.328  2.9537 20.078   1.7923  45.836  3.4826 42.819  4.7717 3.016937       5.907427 
1 1 1 17 1  42 o 63.218  2.4297 40.207   2.1409  61.043  3.1380 65.393  3.7104 -4.349445      4.859403 
1 1 1 17 1  44 o 47.888  2.9429 23.631   1.9464  47.622  3.6201 48.155  4.6408 -0.5331497     5.885766 
1 1 1 17 1  46 o 13.110  4.2041 -1.4409  1.6866  12.161  5.6110 14.059  6.2623 -1.898080      8.408256 
1 1 1 17 1  48 o 32.069  4.4807 11.625   1.9279  31.817  5.2177 32.321  7.2858 -0.5046921     8.961488 
1 1 1 17 1  50 o 24.179  5.2402 7.5591   2.1156  28.300  6.8356 20.059  7.9443 8.240738       10.48036 
1 1 1 17 2  1  o 793.593 4.7333 6301.38  53.104  787.872 6.6130 799.314 6.7740 -11.44141      9.466692 
1 1 1 17 2  3  o 537.845 3.5005 2894.04  26.625  539.708 4.9452 535.982 4.9557 3.726501       7.000991 
1 1 1 17 2  5  o 329.193 2.4346 1083.94  11.333  328.882 3.4752 329.504 3.4105 -0.6219482     4.869115 
1 1 1 17 2  7  o 196.370 1.6705 385.744  4.6113  196.011 2.5083 196.729 2.2070 -0.7181549     3.341009 
1 1 1 17 2  9  o 273.456 2.0640 747.976  7.9808  272.732 2.9498 274.180 2.8877 -1.448608      4.127991 
1 1 1 17 2  11 o 125.176 1.4439 155.999  2.5285  128.439 2.1874 121.913 1.8855 6.525810       2.887823 
1 1 1 17 2  13 o 322.993 2.2658 1043.89  10.337  321.379 3.2980 324.607 3.1079 -3.227875      4.531656 
1 1 1 17 2  15 o 230.978 1.8555 533.380  5.9729  230.376 2.3558 231.580 2.8675 -1.203476      3.711097 
1 1 1 17 2  17 o 323.267 2.3660 1044.90  10.629  322.280 2.9718 324.255 3.6823 -1.975281      4.731915 
1 1 1 17 2  19 o 71.110  1.8187 50.780   1.8192  74.433  2.4019 67.787  2.7316 6.645538       3.637404 
1 1 1 17 2  21 o 215.947 1.8948 466.886  5.7698  217.548 2.5535 214.346 2.8001 3.202667       3.789564 
1 1 1 17 2  23 o 72.727  1.5526 52.932   1.5963  71.542  2.2312 73.912  2.1597 -2.370461      3.105247 
1 1 1 17 2  25 o 172.503 1.6311 297.877  3.9217  172.937 2.0676 172.068 2.5233 0.8692627      3.262220 
1 1 1 17 2  27 o 115.637 1.4485 133.347  2.3349  113.711 1.8530 117.563 2.2268 -3.851425      2.896922 
1 1 1 17 2  29 o 131.561 1.7511 173.017  3.2514  137.913 2.4538 125.209 2.4988 12.70452       3.502112 
1 1 1 17 2  31 o 129.173 1.5670 167.001  2.7979  129.090 1.9290 129.255 2.4699 -0.1642761     3.133965 
1 1 1 17 2  33 o 85.134  1.7516 72.517   2.0993  84.355  2.3465 85.914  2.6012 -1.558937      3.503140 
1 1 1 17 2  35 o 73.174  1.9659 53.762   1.9702  73.509  2.3452 72.840  3.1557 0.6691208      3.931761 
1 1 1 17 2  37 o 50.437  2.5956 25.903   1.8057  53.123  3.1251 47.752  4.1451 5.371071       5.191154 
1 1 1 17 2  39 o 71.589  2.1522 52.133   2.0123  73.459  2.2599 69.718  3.6634 3.741676       4.304350 
1 1 1 17 2  41 o 43.310  3.0980 19.131   1.7724  43.684  3.3618 42.937  5.2048 0.7465210      6.196066 
1 1 1 17 2  43 o 15.378  4.2877 0.8001   1.5116  17.422  6.0197 13.334  6.1074 4.088176       8.575377 
1 1 1 17 2  45 o 24.115  5.1646 6.4595   1.8623  21.707  6.6927 26.524  7.8677 -4.816473      10.32918 
1 1 1 17 2  47 o 30.462  5.0428 10.674   2.0013  29.226  5.6639 31.698  8.3451 -2.472008      10.08562 
1 1 1 17 2  49 o 16.413  5.0174 1.0291   2.1033  16.100  6.7040 16.727  7.4668 -0.6267185     10.03476 
1 1 1 17 2  51 o 18.516  5.1389 3.5872   2.0897  20.794  7.3541 16.238  7.1799 4.556047       10.27781 
1 1 1 17 3  0  o 395.214 3.7166 1562.55  29.371  395.214 3.7166 ?       ?      0.000000       0.000000 
1 1 1 17 3  2  o 586.056 3.9944 3441.60  33.036  570.646 5.8743 601.466 5.4141 -30.82068      7.988712 
1 1 1 17 3  4  o 412.359 2.7648 1700.71  16.117  413.727 3.9663 410.991 3.8529 2.736450       5.529552 
1 1 1 17 3  6  f 167.485 1.5767 279.923  3.7219  171.296 2.3110 163.674 2.1456 7.622574       3.153485 
1 1 1 17 3  8  o 298.526 2.2177 892.002  9.3531  293.124 3.2238 303.927 3.0462 -10.80264      4.435392 
1 1 1 17 3  10 o 327.683 2.2874 1074.16  10.599  325.198 3.2593 330.167 3.2102 -4.968811      4.574790 
1 1 1 17 3  12 o 416.783 2.9176 1733.68  16.665  413.194 3.5078 420.371 4.6630 -7.176270      5.835128 
1 1 1 17 3  14 o 165.919 1.5524 274.881  3.6216  163.746 2.0667 168.091 2.3171 -4.344360      3.104859 
1 1 1 17 3  16 o 159.734 1.4368 254.758  3.1710  158.638 1.7710 160.829 2.2629 -2.190674      2.873537 
1 1 1 17 3  18 o 125.571 1.6344 156.925  2.8880  131.619 2.3771 119.523 2.2437 12.09607       3.268730 
1 1 1 17 3  20 o 124.434 1.4717 155.010  2.5824  125.616 1.9824 123.253 2.1758 2.363258       2.943440 
1 1 1 17 3  22 o 394.565 3.2092 1541.82  16.566  384.822 3.4678 404.307 5.4011 -19.48419      6.418480 
1 1 1 17 3  24 o 89.595  1.4653 80.086   1.8318  88.316  1.8797 90.874  2.2484 -2.557518      2.930664 
1 1 1 17 3  26 o 128.760 1.5735 164.904  2.7606  126.368 1.8695 131.152 2.5316 -4.785004      3.147058 
1 1 1 17 3  28 o 164.350 2.0002 268.658  4.2420  162.220 2.0861 166.480 3.4134 -4.259857      4.000417 
1 1 1 17 3  30 o 41.900  3.0302 17.595   1.7673  41.612  3.8361 42.188  4.6918 -0.5762596     6.060373 
1 1 1 17 3  32 o 64.516  1.7621 41.832   1.5860  65.859  2.2299 63.174  2.7289 2.685196       3.524111 
1 1 1 17 3  34 o 63.037  1.9379 39.885   1.7216  63.954  2.5958 62.119  2.8780 1.834732       3.875714 
1 1 1 17 3  36 f 53.350  2.8673 30.071   1.9256  58.624  2.7229 48.075  5.0469 10.54906       5.734586 
1 1 1 17 3  38 o 52.547  2.5711 27.254   1.7618  50.443  2.7848 54.651  4.3228 -4.208202      5.142159 
1 1 1 17 3  40 o 37.309  3.4726 14.208   1.8057  37.881  4.3824 36.737  5.3879 1.144260       6.945127 
1 1 1 17 3  42 o 30.310  4.3983 10.328   1.6761  34.346  3.9040 26.274  7.8828 8.072409       8.796558 
1 1 1 17 3  44 o 31.563  3.9882 10.448   1.7089  27.105  5.6080 36.021  5.6723 -8.916162      7.976479 
1 1 1 17 3  46 o 17.448  4.8229 2.4689   1.7027  16.692  6.4508 18.205  7.1714 -1.513931      9.645792 
1 1 1 17 3  48 o 41.371  3.6465 18.149   1.9832  39.733  4.0175 43.009  6.0868 -3.276382      7.293059 
1 1 1 17 3  50 o 14.996  4.6412 -0.7053  2.0707  17.882  7.2018 12.109  5.8563 5.773517       9.282331 
1 1 1 17 4  1  o 736.620 4.5383 5428.08  47.258  726.986 6.3588 746.255 6.4770 -19.26953      9.076667 
1 1 1 17 4  3  o 660.596 4.1320 4367.03  38.594  658.673 5.9132 662.519 5.7729 -3.845276      8.263915 
1 1 1 17 4  5  o 545.520 3.4020 2977.58  26.242  541.680 4.8564 549.359 4.7653 -7.679443      6.803914 
1 1 1 17 4  7  o 320.565 2.2888 1027.88  10.375  320.385 3.2684 320.745 3.2050 -0.3599548     4.577623 
1 1 1 17 4  9  o 395.448 2.7207 1563.31  14.656  394.554 3.2042 396.342 4.3980 -1.788544      5.441465 
1 1 1 17 4  11 f 122.028 1.3037 147.692  2.1691  118.839 1.5581 125.217 2.0907 -6.378952      2.607419 
1 1 1 17 4  13 o 218.832 1.7950 479.915  5.3842  220.327 2.1445 217.337 2.8791 2.989975       3.590008 
1 1 1 17 4  15 o 246.902 2.0277 610.492  6.9255  248.037 2.4970 245.766 3.1956 2.270538       4.055445 
1 1 1 17 4  17 o 238.119 1.9223 566.590  6.3857  236.734 2.4544 239.504 2.9592 -2.770508      3.844594 
1 1 1 17 4  19 f 128.758 1.6065 167.001  2.7119  130.800 1.7085 126.716 2.7210 4.084114       3.212926 
1 1 1 17 4  21 o 281.636 2.4542 789.225  9.2609  277.269 2.7864 286.003 4.0408 -8.734070      4.908423 
1 1 1 17 4  23 o 189.317 1.7770 359.889  4.6939  192.953 2.2502 185.682 2.7510 7.271088       3.554042 
1 1 1 17 4  25 f 194.498 1.7332 377.412  4.7086  191.392 2.2352 197.604 2.6496 -6.212616      3.466483 
1 1 1 17 4  27 o 100.047 1.6250 100.181  2.2986  98.738  2.3280 101.355 2.2679 -2.616646      3.250058 
1 1 1 17 4  29 f 121.132 1.6282 146.298  2.7331  119.118 2.0369 123.146 2.5406 -4.028191      3.256325 
1 1 1 17 4  31 o 97.549  1.6200 95.265   2.2348  97.025  2.3033 98.072  2.2787 -1.047279      3.239995 
1 1 1 17 4  33 o 59.634  1.8175 35.602   1.5297  59.103  2.4847 60.165  2.6531 -1.061844      3.634985 
1 1 1 17 4  35 o 87.005  1.6190 75.978   1.9608  87.755  2.0373 86.254  2.5169 1.500893       3.238077 
1 1 1 17 4  37 o 104.487 1.9206 110.280  2.5971  106.031 1.9872 102.943 3.2873 3.088631       3.841299 
1 1 1 17 4  39 f 118.560 1.8672 142.923  2.9116  121.956 1.9895 115.163 3.1603 6.792778       3.734363 
1 1 1 17 4  41 o 20.757  5.0657 4.1380   1.7520  20.004  6.4576 21.509  7.8067 -1.505692      10.13138 
1 1 1 17 4  43 o 45.459  3.5791 21.420   2.2123  45.910  4.1723 45.007  5.8165 0.9026375      7.158247 
1 1 1 17 4  45 o 43.686  3.6040 20.289   2.1033  44.839  3.9872 42.532  6.0049 2.306995       7.208072 
1 1 1 17 4  47 f 16.270  4.8646 1.1702   1.9050  16.010  6.5390 16.531  7.2041 -0.5203648     9.729186 
1 1 1 17 4  49 o 16.321  4.8987 1.4493   1.8648  15.537  6.2257 17.105  7.5652 -1.567510      9.797491 
1 1 1 17 4  51 o 19.224  5.4631 4.3814   2.2447  18.065  7.2997 20.383  8.1299 -2.318428      10.92613 
1 1 1 17 5  0  o 265.782 2.8355 706.697  15.069  265.782 2.8355 ?       ?      0.000000       0.000000 
1 1 1 17 5  2  o 211.529 1.6794 445.837  4.9535  215.496 2.5778 207.563 2.1533 7.933548       3.358832 
1 1 1 17 5  4  o 118.110 1.3395 139.451  2.2275  118.569 1.9925 117.651 1.7909 0.9180069      2.679072 
1 1 1 17 5  6  o 56.725  1.3722 32.136   1.0517  56.501  1.5821 56.949  2.2424 -0.4485283     2.744316 
1 1 1 17 5  8  o 416.861 2.8298 1738.84  16.252  417.176 3.4437 416.545 4.4913 0.6309509      5.659565 
1 1 1 17 5  10 o 676.434 4.2420 4562.06  39.000  667.996 4.9895 684.872 6.8617 -16.87567      8.484023 
1 1 1 17 5  12 o 479.361 3.1757 2295.61  20.848  476.647 3.8044 482.075 5.0860 -5.428101      6.351481 
1 1 1 17 5  14 o 171.978 1.4933 295.871  3.5598  172.111 1.8549 171.844 2.3408 0.2671356      2.986668 
1 1 1 17 5  16 o 223.493 1.8640 501.143  5.7793  226.487 2.3117 220.500 2.9247 5.987000       3.727964 
1 1 1 17 5  18 o 228.934 1.9693 522.283  5.9700  226.795 2.1678 231.073 3.2882 -4.277924      3.938513 
1 1 1 17 5  20 o 353.723 2.8506 1250.76  13.672  352.091 3.3186 355.355 4.6358 -3.263794      5.701197 
1 1 1 17 5  22 o 164.997 1.6506 272.488  3.7927  165.315 2.0857 164.678 2.5590 0.6367188      3.301294 
1 1 1 17 5  24 f 64.830  1.6951 42.461   1.5218  67.788  2.0722 61.873  2.6831 5.915409       3.390146 
1 1 1 17 5  26 o 145.687 1.4669 212.138  2.9521  145.083 1.8044 146.290 2.3133 -1.207001      2.933770 
1 1 1 17 5  28 o 221.312 1.8462 487.806  5.6266  217.134 2.2643 225.490 2.9166 -8.355865      3.692341 
1 1 1 17 5  30 o 198.209 1.9137 393.266  5.3566  199.921 2.7786 196.496 2.6321 3.424759       3.827306 
1 1 1 17 5  32 o 141.036 1.7631 198.935  3.4932  139.693 2.3311 142.380 2.6459 -2.687256      3.526279 
1 1 1 17 5  34 o 81.655  1.9218 66.776   2.1654  81.331  2.3552 81.980  3.0375 -0.6489182     3.843655 
1 1 1 17 5  36 o 77.316  2.0214 59.401   2.1469  74.596  2.4822 80.036  3.1911 -5.440079      4.042838 
1 1 1 17 5  38 o 47.470  3.1296 23.522   1.8784  50.664  3.0246 44.276  5.4800 6.388474       6.259284 
1 1 1 17 5  40 o 15.872  4.6236 0.0851   1.6081  10.815  5.0008 20.929  7.7783 -10.11401      9.247158 
1 1 1 17 5  42 o 21.597  5.2724 4.4676   1.8978  22.052  6.3275 21.141  8.4353 0.9112930      10.54479 
1 1 1 17 5  44 o 50.552  3.2654 27.328   2.1892  54.812  3.4947 46.292  5.5172 8.520260       6.530837 
1 1 1 17 5  46 o 17.920  5.0123 2.0352   2.0113  20.008  7.1019 15.831  7.0749 4.177005       10.02451 
1 1 1 17 5  48 o 29.658  4.5720 10.769   1.8623  35.617  4.4818 23.698  7.9703 11.91868       9.143918 
1 1 1 17 5  50 o 19.125  5.2265 4.0273   2.0585  20.265  6.9950 17.985  7.7676 2.280058       10.45300 
1 1 1 17 6  1  o 524.595 4.5982 2752.07  32.754  523.272 5.3689 525.918 7.4666 -2.645935      9.196481 
1 1 1 17 6  3  o 365.709 3.2157 1342.23  15.485  368.388 3.4665 363.030 5.4172 5.358368       6.431347 
1 1 1 17 6  5  o 71.807  2.4560 52.237   1.9510  72.970  1.9250 70.644  4.5192 2.326042       4.912093 
1 1 1 17 6  7  o 467.503 3.2225 2191.01  20.679  470.682 3.8662 464.324 5.1567 6.357941       6.445089 
1 1 1 17 6  9  o 188.610 1.5899 356.552  4.1793  190.695 2.0090 186.525 2.4647 4.169571       3.179724 
1 1 1 17 6  11 o 376.225 2.7037 1414.37  14.005  374.469 3.2908 377.981 4.2907 -3.512634      5.407370 
1 1 1 17 6  13 o 258.890 1.9740 672.890  7.1512  264.913 2.5308 252.867 3.0301 12.04637       3.947918 
1 1 1 17 6  15 o 171.183 1.6447 294.126  3.9423  175.084 2.1152 167.282 2.5192 7.801422       3.289409 
1 1 1 17 6  17 o 269.025 1.9714 719.831  7.2302  264.060 2.3455 273.989 3.1693 -9.928284      3.942850 
1 1 1 17 6  19 o 55.272  1.7219 30.356   1.3135  53.832  2.1350 56.713  2.7021 -2.881149      3.443746 
1 1 1 17 6  21 o 172.968 1.6303 300.488  3.9330  176.666 2.0601 169.270 2.5273 7.396179       3.260566 
1 1 1 17 6  23 o 48.180  1.7625 23.397   1.1597  49.376  2.0690 46.983  2.8539 2.393429       3.525018 
1 1 1 17 6  25 o 55.545  1.8737 30.670   1.4436  53.941  2.3674 57.148  2.9049 -3.206829      3.747422 
1 1 1 17 6  27 o 209.909 1.8762 440.156  5.4077  208.417 2.2671 211.400 2.9902 -2.982391      3.752412 
1 1 1 17 6  29 o 126.781 1.6098 159.620  2.8037  123.226 1.9690 130.337 2.5474 -7.110832      3.219678 
1 1 1 17 6  31 o 189.738 1.9196 358.675  5.0684  185.127 2.4488 194.349 2.9568 -9.221970      3.839188 
1 1 1 17 6  33 o 12.518  4.0832 -2.6552  1.6770  12.482  5.6663 12.553  5.8807 -0.7127857E-01 8.166386 
1 1 1 17 6  35 o 70.668  1.8854 50.076   1.8830  68.729  2.6941 72.607  2.6382 -3.878197      3.770732 
1 1 1 17 6  37 o 44.095  2.9311 19.532   1.7923  43.486  3.6708 44.704  4.5705 -1.218288      5.862111 
1 1 1 17 6  39 o 51.775  2.7652 26.858   1.9500  50.335  3.2981 53.216  4.4394 -2.880901      5.530468 
1 1 1 17 6  41 o 29.922  4.9147 9.6813   2.0113  28.975  6.3441 30.870  7.5079 -1.894617      9.829348 
1 1 1 17 6  43 o 31.575  5.1811 10.140   1.9989  26.030  5.7930 37.120  8.5916 -11.09013      10.36219 
1 1 1 17 6  45 o 15.828  4.9633 -0.6328  1.9670  11.452  5.3620 20.204  8.3538 -8.752729      9.926579 
1 1 1 17 6  47 f 17.427  4.9635 2.0641   1.9427  15.701  6.8651 19.152  7.1705 -3.450911      9.927004 
1 1 1 17 6  49 o 12.965  4.3900 -4.9919  2.2754  12.816  5.9228 13.114  6.4813 -0.2981014     8.779965 
1 1 1 17 6  51 o 16.947  5.1895 2.1511   2.1907  14.565  6.4418 19.328  8.1380 -4.762980      10.37903 
1 1 1 17 7  0  o 476.021 6.2799 2268.22  59.764  476.021 6.2799 ?       ?      0.000000       0.000000 
1 1 1 17 7  4  o 567.474 4.2319 3220.12  33.925  556.349 5.8875 578.599 6.0805 -22.25012      8.463773 
1 1 1 17 7  6  o 405.517 2.8143 1645.22  15.511  405.540 3.2906 405.493 4.5664 0.4653931E-01  5.628550 
1 1 1 17 7  8  o 293.113 2.1990 859.766  8.7837  293.497 2.5888 292.728 3.5554 0.7691650      4.398059 
1 1 1 17 7  10 o 311.698 2.3370 972.647  9.9631  312.493 2.7788 310.902 3.7583 1.591034       4.674044 
1 1 1 17 7  12 o 287.053 2.1990 821.180  8.6099  283.579 2.6119 290.528 3.5384 -6.949005      4.397930 
1 1 1 17 7  14 f 104.135 1.7877 107.896  2.2695  103.255 1.6696 105.015 3.1617 -1.759521      3.575450 
1 1 1 17 7  16 o 101.436 1.4375 103.349  1.9256  102.448 1.5581 100.424 2.4161 2.023521       2.874908 
1 1 1 17 7  18 o 231.048 1.8733 531.323  5.8937  227.322 2.2190 234.773 3.0188 -7.451172      3.746613 
1 1 1 17 7  20 o 201.078 1.8050 404.075  4.9506  200.333 2.1354 201.823 2.9106 -1.489746      3.609927 
1 1 1 17 7  22 o 90.114  1.4452 81.861   1.8057  93.376  1.7779 86.851  2.2790 6.525383       2.890476 
1 1 1 17 7  24 o 109.185 1.4131 119.047  2.1409  108.313 1.7685 110.057 2.2046 -1.743423      2.826281 
1 1 1 17 7  26 o 174.615 1.6480 306.737  3.9729  178.413 2.0041 170.816 2.6166 7.597183       3.295905 
1 1 1 17 7  28 o 197.690 1.8508 389.157  5.0160  193.967 2.2384 201.414 2.9482 -7.446686      3.701692 
1 1 1 17 7  30 o 140.166 1.6892 195.373  3.2208  137.279 2.0000 143.052 2.7227 -5.773315      3.378321 
1 1 1 17 7  32 f 111.095 1.5540 123.947  2.4112  113.003 1.9776 109.188 2.3976 3.815338       3.107954 
1 1 1 17 7  34 o 70.921  2.1027 49.873   2.0587  67.715  2.6402 74.126  3.2732 -6.411407      4.205317 
1 1 1 17 7  36 o 79.398  1.9093 63.042   2.1156  78.019  2.4552 80.777  2.9247 -2.758240      3.818607 
1 1 1 17 7  38 o 72.339  2.0141 52.912   2.0352  74.967  2.5551 69.711  3.1141 5.255524       4.028237 
1 1 1 17 7  40 o 19.721  5.3274 2.9705   1.8153  17.239  6.1472 22.204  8.7027 -4.965185      10.65480 
1 1 1 17 7  42 o 45.017  3.1715 21.138   1.8841  47.198  3.3821 42.836  5.3661 4.361355       6.342961 
1 1 1 17 7  44 o 32.070  4.8004 11.538   1.9832  33.688  4.7383 30.452  8.3502 3.236362       9.600899 
1 1 1 17 7  46 o 26.064  5.2983 7.6738   1.9332  21.585  6.5380 30.542  8.3393 -8.957516      10.59663 
1 1 1 17 7  48 o 36.275  4.8461 15.646   2.3940  36.624  6.6998 35.925  7.0037 0.6989975      9.692208 
1 1 1 17 7  50 o 17.521  5.6701 1.3118   2.5076  15.062  6.4402 19.979  9.3340 -4.916947      11.34021 
1 1 1 17 8  1  o 254.383 3.3870 648.320  12.163  262.591 4.6200 246.174 4.9540 16.41643       6.773921 
1 1 1 17 8  3  o 475.052 3.9504 2231.45  24.455  462.835 4.2352 487.270 6.6698 -24.43469      7.900841 
1 1 1 17 8  5  o 233.753 2.3128 539.600  6.5411  229.107 2.1459 238.400 4.0978 -9.292633      4.625680 
1 1 1 17 8  7  o 142.072 1.8972 202.215  2.8977  142.354 1.4353 141.791 3.5125 0.5636292      3.794397 
1 1 1 17 8  9  o 304.701 2.2862 932.758  9.5939  309.764 2.7621 299.637 3.6439 10.12711       4.572415 
1 1 1 17 8  11 o 180.013 2.1250 321.316  4.6944  177.443 2.0151 182.583 3.7419 -5.140518      4.249950 
1 1 1 17 8  13 o 308.752 2.2862 951.372  9.7726  305.556 2.8419 311.949 3.5819 -6.393158      4.572402 
1 1 1 17 8  15 o 225.742 1.7494 509.151  5.4816  224.535 2.1896 226.950 2.7290 -2.415100      3.498863 
1 1 1 17 8  17 o 183.478 1.6278 338.766  4.1527  188.999 2.0270 177.956 2.5475 11.04265       3.255513 
1 1 1 17 8  19 o 243.481 2.0135 592.759  6.8107  242.620 2.5264 244.341 3.1358 -1.721115      4.026923 
1 1 1 17 8  21 o 145.046 1.7843 212.718  3.4833  149.375 2.0090 140.717 2.9494 8.657410       3.568611 
1 1 1 17 8  23 o 163.330 1.5505 267.893  3.4951  165.783 1.8872 160.878 2.4607 4.905167       3.101073 
1 1 1 17 8  25 o 120.854 1.4279 145.129  2.3658  118.011 1.7314 123.697 2.2712 -5.685722      2.855877 
1 1 1 17 8  27 o 123.836 1.5838 153.018  2.6728  122.666 1.8739 125.005 2.5539 -2.338387      3.167638 
1 1 1 17 8  29 o 130.790 1.5879 171.375  2.8459  131.152 1.8987 130.428 2.5456 0.7231903      3.175733 
1 1 1 17 8  31 o 91.745  1.5649 84.538   1.9865  93.009  1.9222 90.481  2.4699 2.528267       3.129716 
1 1 1 17 8  33 o 40.265  3.4855 16.572   1.9344  42.750  4.1820 37.780  5.5772 4.970490       6.970985 
1 1 1 17 8  35 o 37.000  3.1019 13.586   1.5975  33.767  4.1600 40.233  4.6023 -6.466717      6.203802 
1 1 1 17 8  37 o 47.941  2.7984 23.248   1.8701  48.839  3.5299 47.043  4.3433 1.796799       5.596823 
1 1 1 17 8  39 o 14.088  4.3994 -1.2422  1.7553  15.690  6.6273 12.487  5.7878 3.203761       8.798891 
1 1 1 17 8  41 o 44.049  2.9940 19.501   1.7724  42.283  3.4732 45.815  4.8778 -3.532364      5.988006 
1 1 1 17 8  43 o 54.303  2.7552 30.940   1.8973  56.770  2.6994 51.836  4.8039 4.933392       5.510373 
1 1 1 17 8  45 o 15.844  4.9196 -0.1709  2.0789  15.499  6.5253 16.189  7.3640 -0.6896133     9.839128 
1 1 1 17 8  47 o 22.008  5.9365 5.1400   2.3944  18.598  7.2070 25.418  9.4354 -6.820429      11.87300 
1 1 1 17 8  49 o 19.176  6.1156 2.4288   2.7152  14.839  6.5588 23.513  10.324 -8.673923      12.23119 
1 1 1 17 9  0  o 265.566 4.4026 706.058  23.369  265.566 4.4026 ?       ?      0.000000       0.000000 
1 1 1 17 9  2  o 382.519 3.9924 1465.26  21.566  380.197 5.8275 384.842 5.4586 -4.645020      7.984737 
1 1 1 17 9  4  o 218.873 2.2126 475.293  6.4020  214.688 2.4388 223.059 3.6926 -8.370834      4.425271 
1 1 1 17 9  6  o 58.363  2.9332 34.930   1.3229  59.581  1.3932 57.145  5.6985 2.435947       5.866302 
1 1 1 17 9  8  o 184.592 2.0532 334.740  4.2166  180.410 1.6634 188.774 3.7544 -8.364380      4.106429 
1 1 1 17 9  10 o 444.132 3.5500 1954.94  18.928  437.512 3.2399 450.753 6.3177 -13.24152      7.100020 
1 1 1 17 9  12 o 171.208 2.0697 291.297  3.8739  169.835 1.6166 172.581 3.8107 -2.746399      4.139445 
1 1 1 17 9  14 o 156.130 1.9929 248.715  3.4992  160.201 1.5943 152.060 3.6532 8.140442       3.985872 
1 1 1 17 9  16 o 294.744 2.6536 868.088  9.8184  293.918 2.6069 295.569 4.6229 -1.650452      5.307295 
1 1 1 17 9  18 o 403.591 2.8747 1629.98  16.009  402.624 3.5206 404.559 4.5454 -1.934387      5.749397 
1 1 1 17 9  20 o 424.303 2.9588 1795.94  17.024  419.098 3.4584 429.508 4.8017 -10.41068      5.917501 
1 1 1 17 9  22 o 290.898 2.2324 841.760  8.9145  284.545 2.7152 297.252 3.5442 -12.70712      4.464735 
1 1 1 17 9  24 o 186.479 1.8301 347.817  4.8036  185.444 2.4446 187.513 2.7241 -2.069809      3.660166 
1 1 1 17 9  26 o 178.691 1.7946 319.441  4.5253  177.413 2.4473 179.971 2.6254 -2.557968      3.589151 
1 1 1 17 9  28 f 115.536 1.6443 133.534  2.6680  114.910 2.1671 116.162 2.4735 -1.252739      3.288515 
1 1 1 17 9  30 o 81.288  1.7256 65.727   1.9464  78.984  2.1827 83.592  2.6734 -4.608635      3.451262 
1 1 1 17 9  32 o 68.222  2.0733 46.879   1.8590  68.962  2.2221 67.482  3.5009 1.479767       4.146565 
1 1 1 17 9  34 o 98.777  1.5299 98.407   2.0761  101.256 1.8287 96.298  2.4533 4.958244       3.059858 
1 1 1 17 9  36 o 70.877  2.1034 50.450   2.1051  70.688  3.0711 71.066  2.8751 -0.3778915     4.206868 
1 1 1 17 9  38 o 50.071  2.9882 25.925   1.9933  53.037  3.2505 47.106  5.0152 5.931366       5.976470 
1 1 1 17 9  40 o 55.803  3.9164 32.343   2.0192  56.900  2.3565 54.705  7.4699 2.194805       7.832807 
1 1 1 17 9  42 o 37.416  4.7713 15.721   2.2042  40.904  4.3707 33.927  8.4829 6.976864       9.542651 
1 1 1 17 9  44 o 27.922  5.8687 9.2134   2.4121  28.736  6.7695 27.109  9.5885 1.626696       11.73736 
1 1 1 17 9  46 o 19.248  5.5621 2.7755   2.2275  18.483  6.8151 20.014  8.7922 -1.531197      11.12418 
1 1 1 17 9  48 o 23.704  5.1210 6.7559   2.0572  27.889  5.6917 19.519  8.5150 8.370251       10.24207 
1 1 1 17 9  50 o 15.590  4.8454 -0.0571  2.2230  16.838  6.7460 14.343  6.9572 2.495595       9.690759 
1 1 1 17 10 1  o 310.313 3.4682 960.656  15.164  320.523 5.0599 300.103 4.7446 20.41956       6.936368 
1 1 1 17 10 3  o 366.466 3.0896 1343.47  15.084  366.242 3.4345 366.689 5.1367 -0.4472656     6.179143 
1 1 1 17 10 5  o 367.833 3.1220 1357.99  15.597  371.249 3.6289 364.418 5.0812 6.831543       6.243991 
1 1 1 17 10 7  o 349.859 2.9463 1209.44  12.329  343.289 2.6783 356.428 5.2488 -13.13824      5.892658 
1 1 1 17 10 9  o 114.369 2.1807 126.056  2.2616  110.371 1.3306 118.368 4.1536 -7.996964      4.361482 
1 1 1 17 10 11 o 285.519 2.5841 815.239  8.7829  285.308 2.3051 285.730 4.6257 -0.4219971     5.168236 
1 1 1 17 10 13 o 147.114 2.1395 207.828  3.2063  140.635 1.5437 153.593 3.9908 -12.95770      4.278981 
1 1 1 17 10 15 o 143.514 1.4822 205.310  2.8698  142.121 1.7072 144.908 2.4234 -2.787552      2.964409 
1 1 1 17 10 17 o 234.282 1.9361 546.944  6.1784  231.266 2.2916 237.297 3.1213 -6.031403      3.872136 
1 1 1 17 10 19 o 281.552 2.7075 796.822  9.6322  283.583 2.6794 279.522 4.7056 4.060944       5.414954 
1 1 1 17 10 21 o 91.865  2.0060 83.772   2.2135  90.741  1.8295 92.989  3.5705 -2.248222      4.011970 
1 1 1 17 10 23 o 179.111 1.7297 322.484  4.2056  181.609 2.0040 176.614 2.8199 4.994629       3.459469 
1 1 1 17 10 25 o 229.073 1.9577 524.008  6.1530  227.102 2.3617 231.043 3.1228 -3.940857      3.915311 
1 1 1 17 10 27 o 175.131 1.8748 305.916  4.5655  171.915 2.3770 178.347 2.8999 -6.432144      3.749605 
1 1 1 17 10 29 o 65.198  2.0791 42.516   1.9070  64.373  2.7773 66.023  3.0947 -1.649788      4.158193 
1 1 1 17 10 31 o 47.238  2.3848 22.138   1.5733  44.283  3.1721 50.193  3.5619 -5.910400      4.769633 
1 1 1 17 10 33 o 152.407 1.6813 233.083  3.5847  153.606 2.1615 151.208 2.5758 2.398666       3.362612 
1 1 1 17 10 35 o 116.730 1.6327 137.072  2.6756  120.053 2.1274 113.408 2.4773 6.645752       3.265389 
1 1 1 17 10 37 f 72.531  2.0861 52.895   2.1347  71.979  2.8386 73.084  3.0578 -1.104836      4.172301 
1 1 1 17 10 39 o 95.436  2.0902 92.470   2.7331  97.974  2.4765 92.897  3.3679 5.076225       4.180390 
1 1 1 17 10 41 o 32.615  5.0902 11.023   2.0840  28.838  5.7389 36.393  8.4088 -7.554472      10.18049 
1 1 1 17 10 43 o 34.207  5.7514 13.409   2.2751  35.890  4.4477 32.524  10.608 3.365719       11.50270 
1 1 1 17 10 45 o 22.706  6.3394 4.6347   2.0696  16.632  6.1256 28.780  11.101 -12.14792      12.67879 
1 1 1 17 10 47 o 34.061  4.8350 13.047   2.1044  29.465  5.8418 38.656  7.7060 -9.190521      9.669995 
1 1 1 17 10 49 o 30.974  5.9002 13.362   2.4115  34.930  4.7526 27.018  10.801 7.911884       11.80040 
1 1 1 17 11 0  o 422.851 5.9067 1790.24  49.931  422.851 5.9067 ?       ?      0.000000       0.000000 
1 1 1 17 11 2  o 404.256 3.6201 1631.00  18.816  401.959 3.7329 406.553 6.2036 -4.593414      7.240129 
1 1 1 17 11 4  o 179.338 2.3252 314.444  5.0938  172.810 2.2169 185.865 4.0880 -13.05467      4.650434 
1 1 1 17 11 6  o 417.917 3.1893 1757.84  17.571  423.473 3.4377 412.362 5.3730 11.11179       6.378635 
1 1 1 17 11 8  o 326.342 2.8794 1074.90  11.138  330.535 2.5306 322.148 5.1731 8.386749       5.758855 
1 1 1 17 11 10 o 156.211 2.0245 238.507  3.7875  150.796 1.8631 161.626 3.5950 -10.82983      4.049043 
1 1 1 17 11 12 o 245.585 2.0596 602.499  7.0298  243.870 2.5920 247.301 3.2016 -3.430878      4.119293 
1 1 1 17 11 14 o 257.892 2.3909 658.049  7.7459  252.712 2.3750 263.073 4.1504 -10.36008      4.781848 
1 1 1 17 11 16 o 273.628 2.8406 747.042  9.4336  272.193 2.6273 275.063 5.0372 -2.870667      5.681217 
1 1 1 17 11 18 o 109.171 1.6291 118.390  2.3086  107.547 1.7217 110.794 2.7662 -3.247864      3.258275 
1 1 1 17 11 20 o 163.757 1.6086 269.926  3.6089  167.277 1.9085 160.237 2.5901 7.040039       3.217292 
1 1 1 17 11 22 o 215.156 1.9220 464.500  5.6682  217.095 2.2941 213.216 3.0845 3.879364       3.844060 
1 1 1 17 11 24 o 79.813  1.6776 63.329   1.8398  77.942  2.0480 81.683  2.6577 -3.741043      3.355266 
1 1 1 17 11 26 o 123.438 1.4873 151.058  2.5193  119.394 1.8183 127.481 2.3541 -8.086983      2.974509 
1 1 1 17 11 28 o 158.264 1.7800 250.805  3.9083  158.287 2.2186 158.241 2.7842 0.4643250E-01  3.560027 
1 1 1 17 11 30 o 145.517 1.7544 210.727  3.4616  142.772 2.0572 148.262 2.8424 -5.489731      3.508721 
1 1 1 17 11 32 o 65.893  1.9713 43.624   1.7923  66.401  2.4040 65.386  3.1249 1.014633       3.942572 
1 1 1 17 11 34 o 23.750  4.9066 5.6009   1.7923  18.930  6.7115 28.571  7.1593 -9.640684      9.813260 
1 1 1 17 11 36 o 29.291  4.3677 9.1039   1.7553  26.824  6.4884 31.758  5.8487 -4.934246      8.735385 
1 1 1 17 11 38 o 43.346  3.3880 19.163   2.0746  42.744  4.9295 43.948  4.6492 -1.204205      6.776082 
1 1 1 17 11 40 o 24.038  5.0298 6.1945   1.9218  27.396  6.4016 20.679  7.7598 6.717039       10.05958 
1 1 1 17 11 42 o 40.478  3.2438 17.280   1.8057  42.987  3.8619 37.969  5.2130 5.017796       6.487675 
1 1 1 17 11 44 o 25.661  5.4268 7.7028   2.1802  28.209  7.0331 23.113  8.2664 5.096331       10.85353 
1 1 1 17 11 46 o 17.649  5.6376 0.5672   2.2095  12.672  5.7152 22.626  9.7194 -9.953844      11.27517 
1 1 1 17 11 48 o 23.425  6.4378 7.3641   2.8946  23.041  7.8556 23.808  10.201 -0.7671795     12.87557 
1 1 1 17 12 1  o 467.535 3.8704 2188.41  23.406  467.531 4.0288 467.540 6.6098 -0.8819580E-02 7.740876 
1 1 1 17 12 3  o 222.468 2.6712 496.416  8.2296  224.766 3.2953 220.171 4.2051 4.594360       5.342410 
1 1 1 17 12 5  o 466.519 3.2984 2176.20  21.654  462.087 4.4079 470.951 4.9079 -8.863373      6.596750 
1 1 1 17 12 7  o 365.233 3.0548 1340.98  14.441  368.604 3.1700 361.861 5.2229 6.742767       6.109634 
1 1 1 17 12 9  o 184.865 2.1472 337.829  4.8239  181.387 2.0065 188.343 3.7969 -6.955673      4.294485 
1 1 1 17 12 11 o 66.684  2.8737 42.936   1.7613  64.416  1.7842 68.952  5.4634 -4.536171      5.747391 
1 1 1 17 12 13 o 214.553 2.1049 452.943  5.6011  208.523 2.0516 220.584 3.6762 -12.06161      4.209872 
1 1 1 17 12 15 o 180.615 1.7890 324.406  4.3110  177.859 2.0104 183.370 2.9597 -5.511887      3.577943 
1 1 1 17 12 17 o 80.485  1.4415 64.694   1.5975  79.974  1.7565 80.996  2.2861 -1.022148      2.882966 
1 1 1 17 12 19 o 68.394  2.3641 46.015   1.9581  66.551  2.2067 70.238  4.1817 -3.686501      4.728208 
1 1 1 17 12 21 o 142.482 1.6478 201.622  3.1764  139.429 1.9234 145.535 2.6762 -6.106354      3.295697 
1 1 1 17 12 23 o 78.172  2.3095 59.803   2.2544  75.102  2.2955 81.242  4.0082 -6.140129      4.619022 
1 1 1 17 12 25 o 103.081 1.6392 106.616  2.3193  103.963 1.9653 102.200 2.6240 1.762512       3.278391 
1 1 1 17 12 27 o 81.579  1.7196 66.742   1.9773  83.148  2.3037 80.010  2.5537 3.137360       3.439272 
1 1 1 17 12 29 o 176.734 1.9159 312.883  4.7879  175.709 2.6891 177.760 2.7299 -2.050674      3.831887 
1 1 1 17 12 31 o 80.549  1.8831 65.158   2.1347  81.866  2.4958 79.232  2.8205 2.634155       3.766223 
1 1 1 17 12 33 o 71.192  2.0771 50.978   2.0511  71.805  2.5787 70.579  3.2568 1.226357       4.154111 
1 1 1 17 12 35 o 33.008  4.3430 11.320   1.9773  31.826  6.6375 34.190  5.6025 -2.364183      8.685920 
1 1 1 17 12 37 o 43.192  2.8250 18.772   1.7027  41.920  3.6556 44.465  4.3079 -2.545135      5.649916 
1 1 1 17 12 39 o 26.071  5.1441 7.4314   1.9773  27.332  6.9822 24.810  7.5563 2.522409       10.28828 
1 1 1 17 12 41 o 24.424  5.2530 6.5869   1.9464  26.731  7.8499 22.117  6.9823 4.614140       10.50590 
1 1 1 17 12 43 o 48.831  3.3261 24.918   2.2827  52.345  4.7572 45.317  4.6497 7.028538       6.652100 
1 1 1 17 12 45 o 35.076  5.3989 14.513   2.4621  36.096  5.4835 34.056  9.3018 2.040775       10.79782 
1 1 1 17 12 47 o 19.917  5.1682 3.7409   2.1634  24.252  7.5911 15.583  7.0154 8.669728       10.33632 
1 1 1 17 12 49 o 20.699  5.2394 5.5094   1.8284  20.147  6.2918 21.251  8.3798 -1.104530      10.47889 
1 1 1 17 13 0  o 162.166 4.4567 263.702  14.430  162.166 4.4567 ?       ?      0.000000       0.000000 
1 1 1 17 13 2  o 163.947 2.8240 269.038  6.5408  164.398 3.8839 163.496 4.1006 0.9021454      5.647971 
1 1 1 17 13 4  o 65.021  3.4784 42.212   3.0674  64.494  4.0591 65.547  5.6499 -1.053001      6.956784 
1 1 1 17 13 6  o 384.950 2.8015 1485.05  15.128  388.455 3.6490 381.445 4.2517 7.010040       5.602901 
1 1 1 17 13 8  o 412.337 2.9187 1706.22  16.519  416.131 3.4984 408.543 4.6730 7.588501       5.837457 
1 1 1 17 13 10 o 135.174 1.9688 184.383  3.6494  139.434 2.3354 130.915 3.1702 8.518829       3.937573 
1 1 1 17 13 12 o 171.808 3.3356 292.307  6.5846  169.229 2.8298 174.386 6.0414 -5.156296      6.671278 
1 1 1 17 13 14 f 171.602 1.5852 294.808  3.8044  172.315 2.0380 170.889 2.4286 1.426224       3.170441 
1 1 1 17 13 16 o 270.608 2.1391 731.742  7.9275  269.088 2.5627 272.128 3.4257 -3.039551      4.278134 
1 1 1 17 13 18 o 118.750 1.4898 140.569  2.4492  116.982 1.8558 120.517 2.3311 -3.535233      2.979610 
1 1 1 17 13 20 o 228.565 2.0417 520.473  6.3751  225.081 2.4396 232.049 3.2744 -6.968033      4.083315 
1 1 1 17 13 22 o 187.541 1.7864 353.017  4.6302  189.738 2.1874 185.343 2.8249 4.395401       3.572757 
1 1 1 17 13 24 o 128.258 1.6312 164.479  2.8872  127.702 2.0000 128.814 2.5775 -1.111771      3.262455 
1 1 1 17 13 26 o 151.930 1.6659 230.746  3.5574  150.136 2.2115 153.724 2.4921 -3.588211      3.331873 
1 1 1 17 13 28 f 52.748  3.0447 27.988   2.2662  54.204  4.1229 51.292  4.4814 2.911636       6.089428 
1 1 1 17 13 30 o 59.453  3.8742 37.416   2.4754  55.773  7.2125 63.134  2.8318 -7.361359      7.748457 
1 1 1 17 13 32 o 78.823  3.1186 63.428   3.1913  76.579  5.3362 81.067  3.2293 -4.488022      6.237257 
1 1 1 17 13 34 o 148.947 2.2736 224.218  4.6550  145.582 3.6403 152.312 2.7249 -6.730194      4.547143 
1 1 1 17 13 36 o 76.315  2.2509 57.949   2.3658  79.780  3.5214 72.849  2.8047 6.931335       4.501891 
1 1 1 17 13 38 o 20.555  5.0944 4.0116   1.8429  21.451  7.0004 19.660  7.4032 1.790100       10.18884 
1 1 1 17 13 40 o 61.708  2.4531 38.749   2.1347  61.602  3.3168 61.814  3.6153 -0.2122002     4.906266 
1 1 1 17 13 42 o 53.080  2.9273 28.733   2.1469  49.257  3.7592 56.904  4.4883 -7.647713      5.854599 
1 1 1 17 13 44 o 36.122  3.8197 14.154   1.9469  34.404  5.5677 37.840  5.2309 -3.435688      7.639425 
1 1 1 17 13 46 o 15.669  4.9431 0.1427   2.0507  13.317  5.9804 18.021  7.8723 -4.703923      9.886267 
1 1 1 17 13 48 o 20.744  5.5311 5.4642   2.1655  20.519  7.1195 20.970  8.4667 -0.4508381     11.06217 
1 1 1 17 14 1  o 329.114 2.3320 1083.24  10.849  322.610 3.2854 335.618 3.3103 -13.00842      4.663929 
1 1 1 17 14 3  o 272.424 2.1662 739.497  7.9516  269.345 2.4891 275.503 3.5459 -6.157898      4.332351 
1 1 1 17 14 5  o 103.170 1.5775 106.566  2.2986  106.233 2.1637 100.106 2.2962 6.126968       3.155022 
1 1 1 17 14 7  o 285.537 2.5544 818.741  9.7000  287.965 2.8160 283.110 4.2626 4.855377       5.108733 
1 1 1 17 14 9  o 173.490 1.6234 301.539  3.9217  174.748 2.0462 172.232 2.5209 2.515381       3.246816 
1 1 1 17 14 11 o 114.464 3.0549 135.426  4.2943  120.724 2.8032 108.203 5.4289 12.52043       6.109871 
1 1 1 17 14 13 o 117.805 1.7249 138.730  2.8676  119.184 2.5179 116.425 2.3582 2.758484       3.449810 
1 1 1 17 14 15 o 143.312 1.8297 205.733  3.7022  140.592 2.6795 146.031 2.4923 -5.438980      3.659389 
1 1 1 17 14 17 o 97.758  1.7548 95.571   2.4246  99.258  2.5088 96.257  2.4543 3.001274       3.509658 
1 1 1 17 14 19 o 169.859 1.9816 288.832  4.7515  169.533 2.9000 170.184 2.7013 -0.6499329     3.963241 
1 1 1 17 14 21 o 309.736 2.7994 961.438  12.258  303.456 3.9978 316.017 3.9197 -12.56085      5.598818 
1 1 1 17 14 23 o 133.927 1.6355 179.508  3.0938  133.454 2.2487 134.399 2.3754 -0.9451294     3.270954 
1 1 1 17 14 25 o 88.572  1.7550 79.182   2.1540  91.898  2.1539 85.246  2.7714 6.652519       3.509922 
1 1 1 17 14 27 o 99.223  1.9678 99.054   2.7441  94.586  2.9702 103.861 2.5820 -9.274521      3.935623 
1 1 1 17 14 29 f 59.525  2.3239 35.484   1.9218  58.959  2.9240 60.090  3.6128 -1.130569      4.647782 
1 1 1 17 14 31 o 57.015  2.5325 31.945   1.8648  54.464  2.6964 59.566  4.2877 -5.101902      5.065077 
1 1 1 17 14 33 o 34.147  3.4489 11.812   1.6601  32.558  5.0989 35.737  4.6454 -3.178741      6.897742 
1 1 1 17 14 35 f 70.233  2.1896 49.676   2.1634  70.262  2.9080 70.204  3.2742 0.5818176E-01  4.379115 
1 1 1 17 14 37 o 50.711  3.0322 26.201   2.1690  51.493  4.0919 49.929  4.4759 1.563831       6.064448 
1 1 1 17 14 39 o 68.522  2.5349 47.470   2.4379  65.785  3.3971 71.260  3.7633 -5.474670      5.069760 
1 1 1 17 14 41 o 60.211  2.7080 37.326   2.2827  60.097  3.5061 60.325  4.1279 -0.2282944     5.415916 
1 1 1 17 14 43 o 29.031  4.8358 9.9567   2.0253  33.798  5.4786 24.265  7.9703 9.532995       9.671639 
1 1 1 17 14 45 o 19.674  4.9051 4.0659   1.7855  16.156  6.6418 23.193  7.2199 -7.036825      9.810225 
1 1 1 17 14 47 o 26.235  5.7971 8.6064   2.1844  20.068  6.8695 32.403  9.3399 -12.33535      11.59415 
1 1 1 17 15 0  o 338.734 3.6012 1148.29  24.391  338.734 3.6012 ?       ?      0.000000       0.000000 
1 1 1 17 15 2  o 165.051 1.5185 272.545  3.5434  164.006 2.1802 166.096 2.1143 -2.089920      3.037015 
1 1 1 17 15 4  o 318.740 2.9454 1018.70  13.138  321.674 3.7912 315.806 4.5087 5.868469       5.890808 
1 1 1 17 15 6  o 412.095 3.2580 1715.17  17.988  421.576 3.6350 402.613 5.4079 18.96271       6.516020 
1 1 1 17 15 8  o 208.347 2.1817 435.884  6.3442  212.313 2.7668 204.381 3.3740 7.931503       4.363382 
1 1 1 17 15 10 o 144.306 1.6662 208.422  3.3540  144.600 2.1195 144.012 2.5715 0.5881653      3.332434 
1 1 1 17 15 12 o 233.351 2.1166 543.178  6.7676  230.688 2.5464 236.015 3.3817 -5.327728      4.233205 
1 1 1 17 15 14 o 187.508 1.7194 352.444  4.4016  188.648 2.0308 186.367 2.7751 2.280365       3.438789 
1 1 1 17 15 16 o 131.474 1.4255 172.636  2.6402  129.364 1.9249 133.583 2.1031 -4.218491      2.851050 
1 1 1 17 15 18 o 108.821 1.5670 117.519  2.3225  106.045 1.8665 111.596 2.5175 -5.551155      3.133960 
1 1 1 17 15 20 o 75.862  1.5539 57.662   1.6503  76.455  2.0043 75.269  2.3752 1.186203       3.107900 
1 1 1 17 15 22 o 103.919 1.5714 108.221  2.2827  104.634 2.0138 103.204 2.4129 1.429428       3.142778 
1 1 1 17 15 24 o 238.413 2.4746 569.236  8.0999  237.484 2.9844 239.342 3.9483 -1.857727      4.949272 
1 1 1 17 15 26 o 115.093 1.5899 131.830  2.5540  111.530 2.0610 118.657 2.4215 -7.127342      3.179825 
1 1 1 17 15 28 o 69.310  1.9571 48.207   1.9155  67.145  2.8528 71.475  2.6800 -4.329758      3.914160 
1 1 1 17 15 30 o 23.992  4.8986 5.9532   1.7274  23.155  6.4061 24.828  7.4125 -1.673479      9.797113 
1 1 1 17 15 32 o 74.519  1.8780 55.573   1.9711  72.778  2.5443 76.260  2.7630 -3.481857      3.756003 
1 1 1 17 15 34 o 26.333  4.7474 7.4477   1.7855  24.339  7.1448 28.328  6.2533 -3.988970      9.494884 
1 1 1 17 15 36 o 26.342  4.7319 7.3560   1.8429  32.227  6.3685 20.458  7.0004 11.76957       9.463798 
1 1 1 17 15 38 o 15.913  4.6757 0.9932   1.6388  17.486  7.2793 14.341  5.8702 3.144564       9.351316 
1 1 1 17 15 40 o 21.760  4.8128 5.1803   1.6866  23.858  6.5109 19.663  7.0896 4.194496       9.625666 
1 1 1 17 15 42 f 15.135  4.4559 0.8505   1.5860  13.089  5.7695 17.181  6.7921 -4.091738      8.911815 
1 1 1 17 15 44 o 17.269  5.2594 0.6669   2.1213  12.351  5.7075 22.187  8.8356 -9.836124      10.51875 
1 1 1 17 15 46 o 14.270  4.5612 -0.4606  1.9050  12.584  5.7718 15.956  7.0642 -3.371990      9.122314 
1 1 1 17 15 48 o 14.020  4.5589 -0.6562  2.0354  13.134  6.0099 14.905  6.8569 -1.770420      9.117875 
1 1 1 17 16 1  o 179.104 1.6260 320.906  4.1181  179.317 2.3145 178.890 2.2843 0.4266510      3.251926 
1 1 1 17 16 3  o 216.186 1.8176 467.729  5.5543  214.413 2.6206 217.960 2.5193 -3.546768      3.635166 
1 1 1 17 16 5  o 131.306 1.9456 171.923  3.5734  128.712 2.5300 133.900 2.9565 -5.187332      3.891207 
1 1 1 17 16 7  o 103.421 1.6865 106.932  2.4379  102.993 2.1698 103.848 2.5823 -0.8550873     3.372923 
1 1 1 17 16 9  o 116.654 1.6254 136.079  2.6802  118.705 2.3129 114.603 2.2843 4.102280       3.250802 
1 1 1 17 16 11 o 83.306  1.4703 68.977   1.6861  81.318  1.8059 85.293  2.3207 -3.974617      2.940563 
1 1 1 17 16 13 o 101.587 1.4960 103.173  2.1156  101.246 1.8919 101.927 2.3178 -0.6818771     2.991925 
1 1 1 17 16 15 o 179.703 1.8241 322.079  4.4899  177.662 2.1923 181.744 2.9160 -4.082169      3.648149 
1 1 1 17 16 17 o 151.968 1.7115 231.322  3.6645  153.360 2.2899 150.577 2.5442 2.783081       3.422976 
1 1 1 17 16 19 o 112.769 1.5611 127.036  2.4836  110.338 2.1411 115.200 2.2725 -4.861176      3.122251 
1 1 1 17 16 21 o 98.618  1.6295 97.126   2.2447  97.365  2.0985 99.870  2.4934 -2.504944      3.258953 
1 1 1 17 16 23 o 179.002 1.7551 319.764  4.3988  175.404 2.2933 182.600 2.6575 -7.196609      3.510231 
1 1 1 17 16 25 o 152.889 1.7160 231.486  3.6142  146.656 2.1333 159.121 2.6885 -12.46523      3.432081 
1 1 1 17 16 27 o 65.687  2.3464 43.418   2.1709  62.285  3.4855 69.089  3.1422 -6.804283      4.692747 
1 1 1 17 16 29 o 108.631 1.7665 118.236  2.7103  107.612 2.4327 109.650 2.5622 -2.037880      3.533094 
1 1 1 17 16 31 f 15.804  4.5301 0.8488   1.6226  17.151  6.4983 14.456  6.3134 2.695543       9.060141 
1 1 1 17 16 33 o 26.327  4.5084 7.4452   1.6914  22.715  6.9455 29.939  5.7501 -7.224258      9.016855 
1 1 1 17 16 35 o 55.282  2.7369 30.942   2.1347  55.769  4.0072 54.795  3.7288 0.9741974      5.473706 
1 1 1 17 16 37 o 39.581  3.2507 16.001   1.8057  40.781  4.8536 38.380  4.3254 2.400864       6.501339 
1 1 1 17 16 39 o 16.893  5.0073 1.1676   1.9986  18.010  7.4362 15.777  6.7078 2.232992       10.01458 
1 1 1 17 16 41 o 59.092  2.8033 36.265   2.3301  63.115  3.7431 55.069  4.1740 8.045944       5.606539 
1 1 1 17 16 43 o 67.062  3.0175 47.383   2.7165  67.471  3.4068 66.652  4.9814 0.8186340      6.034969 
1 1 1 17 16 45 o 25.174  5.4009 7.7554   2.0813  20.487  7.1184 29.860  8.1246 -9.373039      10.80187 
1 1 1 17 16 47 o 23.443  5.4173 7.5806   2.0691  24.850  6.5768 22.037  8.6101 2.813536       10.83457 
1 1 1 17 17 0  o 346.807 3.9964 1204.09  27.711  346.807 3.9964 ?       ?      0.000000       0.000000 
1 1 1 17 17 2  o 124.406 1.5254 154.780  2.6756  123.921 2.0610 124.892 2.2495 -0.9701691     3.050887 
1 1 1 17 17 4  o 93.976  1.5960 88.746   2.0993  91.222  2.4498 96.730  2.0463 -5.508842      3.191997 
1 1 1 17 17 6  o 238.582 2.0533 569.694  6.9276  236.589 2.9147 240.575 2.8929 -3.985733      4.106648 
1 1 1 17 17 8  o 133.557 1.5244 178.441  2.8605  133.673 2.2928 133.442 2.0096 0.2304840      3.048858 
1 1 1 17 17 10 o 73.038  1.6425 53.430   1.6866  73.653  2.1673 72.424  2.4685 1.228371       3.284927 
1 1 1 17 17 12 o 46.019  2.0664 21.162   1.3287  46.432  3.1628 45.607  2.6600 0.8247719      4.132706 
1 1 1 17 17 14 o 179.597 1.9417 322.076  4.8634  177.428 2.4831 181.767 2.9859 -4.339340      3.883430 
1 1 1 17 17 16 o 259.023 2.1170 672.822  7.5974  260.869 2.6189 257.177 3.3269 3.692566       4.234022 
1 1 1 17 17 18 o 273.246 2.2061 745.843  8.3841  269.986 2.7906 276.506 3.4176 -6.520050      4.412220 
1 1 1 17 17 20 o 38.093  2.8470 14.558   1.5297  38.098  3.8547 38.088  4.1910 0.1026154E-01  5.694094 
1 1 1 17 17 22 o 89.915  1.6639 81.117   2.0993  91.342  2.1670 88.489  2.5255 2.853165       3.327745 
1 1 1 17 17 24 o 103.316 1.6396 106.431  2.3735  100.640 2.1571 105.992 2.4699 -5.352272      3.279244 
1 1 1 17 17 26 o 29.795  4.4595 9.3289   1.8147  29.532  6.6469 30.058  5.9471 -0.5259037     8.919030 
1 1 1 17 17 28 o 80.972  2.0098 65.425   2.2702  78.754  2.5944 83.190  3.0701 -4.436134      4.019530 
1 1 1 17 17 30 o 107.579 1.9510 115.906  2.9605  104.988 2.6760 110.170 2.8399 -5.182243      3.901994 
1 1 1 17 17 32 o 66.420  2.0805 44.455   1.9427  65.200  3.1338 67.640  2.7375 -2.439537      4.161088 
1 1 1 17 17 34 o 88.005  1.9236 77.846   2.3906  86.394  2.6606 89.615  2.7787 -3.220695      3.847104 
1 1 1 17 17 36 o 70.589  2.2725 50.436   2.2626  70.535  3.0778 70.643  3.3442 -0.1075668     4.544958 
1 1 1 17 17 38 o 26.925  4.5934 8.1334   1.7553  23.188  6.9168 30.662  6.0460 -7.474016      9.186753 
1 1 1 17 17 40 o 20.043  5.2807 3.9445   1.9865  19.498  7.0837 20.589  7.8337 -1.091322      10.56150 
1 1 1 17 17 42 o 13.818  4.4378 -1.3792  1.8815  13.873  6.4554 13.762  6.0913 0.1118250      8.875552 
1 1 1 17 17 44 o 23.566  5.3292 6.9019   2.0067  23.828  7.3284 23.303  7.7392 0.5248528      10.65835 
1 1 1 17 17 46 o 18.978  5.5783 3.8161   2.3882  16.605  7.0526 21.352  8.6447 -4.747326      11.15666 
1 1 1 17 18 1  o 160.362 1.6893 256.957  3.8214  157.719 2.3076 163.005 2.4678 -5.286102      3.378577 
1 1 1 17 18 3  o 315.399 2.9657 996.397  12.903  315.549 4.6945 315.249 3.6255 0.2995911      5.931432 
1 1 1 17 18 5  o 382.756 3.1381 1467.14  16.770  383.859 4.8238 381.652 4.0152 2.207764       6.276223 
1 1 1 17 18 7  o 187.664 1.9473 351.936  4.9732  188.492 3.1503 186.836 2.2897 1.655594       3.894514 
1 1 1 17 18 9  o 94.681  1.5648 89.267   2.0157  96.056  2.5259 93.307  1.8476 2.749054       3.129560 
1 1 1 17 18 11 o 130.856 1.6637 170.256  2.9996  127.770 2.0489 133.943 2.6219 -6.172920      3.327472 
1 1 1 17 18 13 o 78.910  1.6021 62.268   1.7855  78.022  2.2096 79.799  2.3204 -1.776375      3.204150 
1 1 1 17 18 15 f 95.055  1.5206 90.404   2.0412  94.922  2.0853 95.187  2.2136 -0.2648468     3.041105 
1 1 1 17 18 17 o 67.135  1.8199 44.937   1.7027  65.764  2.3302 68.505  2.7962 -2.740852      3.639802 
1 1 1 17 18 19 o 97.123  1.6343 94.506   2.2183  97.560  2.0943 96.687  2.5095 0.8727112      3.268565 
1 1 1 17 18 21 o 142.972 1.6441 204.541  3.3092  142.378 2.1974 143.566 2.4461 -1.187592      3.288180 
1 1 1 17 18 23 o 101.166 1.7237 102.718  2.4545  98.951  2.5811 103.381 2.2852 -4.429558      3.447357 
1 1 1 17 18 25 o 101.768 1.8627 103.626  2.6756  99.113  2.5769 104.423 2.6904 -5.309959      3.725404 
1 1 1 17 18 27 o 30.983  3.9119 9.9410   1.6503  29.755  6.2112 32.211  4.7575 -2.455563      7.823848 
1 1 1 17 18 29 o 27.381  5.2356 7.8198   2.1690  22.225  7.7273 32.537  7.0663 -10.31208      10.47110 
1 1 1 17 18 31 o 51.160  2.7512 26.855   1.9427  55.739  3.3220 46.582  4.3863 9.157211       5.502324 
1 1 1 17 18 33 o 43.189  2.8226 18.900   1.7240  43.041  4.0054 43.337  3.9780 -0.2956810     5.645156 
1 1 1 17 18 35 o 50.746  2.5457 26.215   1.8192  48.720  3.8007 52.773  3.3878 -4.053040      5.091365 
1 1 1 17 18 37 o 15.406  4.5228 0.4753   1.7145  13.590  6.1851 17.221  6.6007 -3.630854      9.045683 
1 1 1 17 18 39 o 22.357  5.2850 5.5776   1.9773  21.332  7.5902 23.382  7.3563 -2.050400      10.57000 
1 1 1 17 18 41 o 16.913  4.8846 1.5115   1.9427  18.998  7.1591 14.827  6.6470 4.171109       9.769116 
1 1 1 17 18 43 o 14.952  4.6654 -0.2554  1.9794  13.305  6.1804 16.599  6.9904 -3.294322      9.330766 
1 1 1 17 18 45 o 16.498  4.8680 0.8525   2.1140  18.354  6.6909 14.642  7.0725 3.711877       9.735933 
1 1 1 17 19 0  o 87.012  2.0572 75.854   3.5756  87.012  2.0572 ?       ?      0.000000       0.000000 
1 1 1 17 19 2  o 66.161  2.0254 44.007   1.8830  69.636  2.6591 62.685  3.0558 6.950436       4.050714 
1 1 1 17 19 4  o 145.397 1.7420 211.602  3.5654  145.819 2.3207 144.975 2.5985 0.8440857      3.483968 
1 1 1 17 19 6  o 171.057 2.0082 292.533  4.8316  169.518 2.6743 172.596 2.9965 -3.078705      4.016337 
1 1 1 17 19 8  o 210.003 2.0683 441.211  6.0971  209.197 2.7164 210.809 3.1197 -1.611298      4.136600 
1 1 1 17 19 10 o 152.964 1.8764 233.543  4.0241  150.242 2.4649 155.686 2.8298 -5.444260      3.752840 
1 1 1 17 19 12 o 53.898  2.4027 29.235   1.8192  50.994  3.6311 56.802  3.1474 -5.807728      4.805355 
1 1 1 17 19 14 o 78.492  1.6380 61.070   1.7923  74.677  2.1376 82.307  2.4824 -7.630646      3.275909 
1 1 1 17 19 16 f 63.696  1.9859 40.406   1.7673  61.752  2.5850 65.640  3.0155 -3.888523      3.971779 
1 1 1 17 19 18 o 186.084 1.8307 346.888  4.7343  186.404 2.2950 185.764 2.8529 0.6396484      3.661395 
1 1 1 17 19 20 o 189.635 1.9125 358.744  5.0282  186.505 2.3965 192.766 2.9811 -6.260956      3.824927 
1 1 1 17 19 22 o 120.291 1.6722 143.900  2.7979  116.385 2.1396 124.198 2.5705 -7.812256      3.344459 
1 1 1 17 19 24 o 117.405 1.7701 137.923  2.9246  115.791 2.3711 119.020 2.6287 -3.229195      3.540113 
1 1 1 17 19 26 o 143.184 1.7507 205.196  3.5296  140.978 2.3551 145.391 2.5911 -4.412659      3.501469 
1 1 1 17 19 28 o 83.694  1.9773 70.269   2.3091  83.532  2.5225 83.856  3.0457 -0.3241577     3.954649 
1 1 1 17 19 30 o 89.582  1.9144 80.445   2.4196  86.825  2.6474 92.339  2.7659 -5.514824      3.828716 
1 1 1 17 19 32 o 57.779  2.3462 33.534   1.8964  56.285  3.0629 59.274  3.5548 -2.989273      4.692341 
1 1 1 17 19 34 o 15.336  4.4088 -0.1277  1.6914  18.813  6.8269 11.859  5.5807 6.954348       8.817616 
1 1 1 17 19 36 o 48.781  3.0647 24.503   2.0993  53.266  4.1955 44.296  4.4685 8.970085       6.129400 
1 1 1 17 19 38 o 26.494  5.2426 8.1729   2.0432  27.116  7.3511 25.871  7.4767 1.245010       10.48523 
1 1 1 17 19 40 o 20.852  5.6742 4.4178   2.3469  21.873  8.3594 19.831  7.6751 2.042116       11.34839 
1 1 1 17 19 42 o 22.858  5.4610 6.4005   2.0993  22.464  7.9435 23.253  7.4961 -0.7897053     10.92200 
1 1 1 17 19 44 o 21.553  5.9301 6.0144   2.5930  21.643  8.1001 21.463  8.6633 0.1793041      11.86021 
1 1 1 17 20 1  o 146.160 1.6526 213.753  3.4157  146.815 2.3485 145.506 2.3257 1.308792       3.305208 
1 1 1 17 20 3  o 110.399 1.5542 121.921  2.4246  110.976 2.2439 109.822 2.1512 1.153320       3.108467 
1 1 1 17 20 5  f 136.330 1.9398 182.995  3.6149  129.047 2.3750 143.613 3.0677 -14.56606      3.879635 
1 1 1 17 20 7  f 166.248 1.7009 276.453  3.9700  166.854 2.5639 165.643 2.2357 1.210800       3.401781 
1 1 1 17 20 9  f 125.354 1.7224 157.271  2.9922  125.317 2.7004 125.391 2.1387 -0.7425690E-01 3.444741 
1 1 1 17 20 11 o 40.141  2.8088 16.054   1.4855  40.677  4.7091 39.605  3.0632 1.072609       5.617675 
1 1 1 17 20 13 o 71.545  1.7470 50.885   1.7089  73.183  2.7919 69.907  2.1007 3.276100       3.493987 
1 1 1 17 20 15 o 54.003  2.1733 29.116   1.6503  52.474  2.9203 55.532  3.2194 -3.058098      4.346576 
1 1 1 17 20 17 o 76.368  1.8336 58.423   1.9794  77.747  2.5459 74.988  2.6396 2.759109       3.667268 
1 1 1 17 20 19 o 152.839 1.8268 233.481  3.8684  151.612 2.2742 154.066 2.8596 -2.453751      3.653665 
1 1 1 17 20 21 o 198.655 2.0911 395.624  5.8735  198.821 2.9224 198.489 2.9916 0.3321228      4.182161 
1 1 1 17 20 23 o 85.597  2.0537 72.642   2.4492  90.598  3.1010 80.595  2.6936 10.00269       4.107498 
1 1 1 17 20 25 o 154.108 1.9084 237.329  4.1021  151.074 2.4513 157.142 2.9255 -6.067200      3.816771 
1 1 1 17 20 27 o 80.114  1.9158 64.348   2.1690  78.488  2.6846 81.740  2.7340 -3.251808      3.831671 
1 1 1 17 20 29 o 35.230  5.5189 13.108   2.5586  33.648  6.4939 36.812  8.9255 -3.164631      11.03789 
1 1 1 17 20 31 o 88.685  1.9871 79.204   2.4885  89.348  2.7156 88.022  2.9016 1.326012       3.974111 
1 1 1 17 20 33 o 73.884  2.1066 54.562   2.1654  77.588  3.2095 70.180  2.7294 7.407486       4.213133 
1 1 1 17 20 35 o 28.042  5.1115 8.8752   2.0432  27.312  7.3274 28.771  7.1289 -1.459263      10.22309 
1 1 1 17 20 37 o 16.350  4.9676 0.0751   2.1540  17.767  7.1825 14.932  6.8642 2.834655       9.935102 
1 1 1 17 20 39 o 26.636  5.0779 8.4365   1.9773  23.872  7.3256 29.399  7.0337 -5.527317      10.15570 
1 1 1 17 20 41 o 18.675  5.2271 3.2963   2.0352  17.990  7.1445 19.361  7.6320 -1.371294      10.45425 
1 1 1 17 20 43 o 17.406  4.9189 2.5710   1.9070  14.162  6.2881 20.650  7.5658 -6.488019      9.837770 
1 1 1 17 21 0  o 98.609  2.3340 97.436   4.5972  98.609  2.3340 ?       ?      0.000000       0.000000 
1 1 1 17 21 2  o 187.857 1.7424 353.096  4.6272  189.452 2.4940 186.263 2.4339 3.188522       3.484789 
1 1 1 17 21 4  o 113.584 1.6111 129.120  2.5824  113.412 2.3646 113.755 2.1891 -0.3433151     3.222296 
1 1 1 17 21 6  o 71.954  1.7307 51.538   1.7274  73.632  2.6882 70.276  2.1806 3.356415       3.461392 
1 1 1 17 21 8  o 43.940  2.4119 19.447   1.4241  43.273  3.9840 44.607  2.7196 -1.334736      4.823730 
1 1 1 17 21 10 o 87.934  1.6886 77.856   2.0511  85.782  2.6796 90.086  2.0554 -4.303658      3.377149 
1 1 1 17 21 12 o 54.017  2.3039 29.130   1.6388  54.466  3.8686 53.569  2.5030 0.8964386      4.607757 
1 1 1 17 21 14 o 154.206 1.8071 238.882  3.8279  152.398 2.8909 156.014 2.1691 -3.616760      3.614173 
1 1 1 17 21 16 o 197.393 1.8929 389.307  5.2117  195.093 2.4219 199.693 2.9097 -4.599854      3.785725 
1 1 1 17 21 18 o 81.878  1.9304 67.171   2.2348  82.813  2.6986 80.942  2.7610 1.871590       3.860704 
1 1 1 17 21 20 o 75.019  1.8398 56.496   1.9469  77.149  2.4829 72.888  2.7156 4.260887       3.679563 
1 1 1 17 21 22 o 106.952 1.7734 114.542  2.6756  105.651 2.4174 108.254 2.5952 -2.602730      3.546700 
1 1 1 17 21 24 o 84.707  1.9453 71.929   2.3266  83.363  2.6808 86.052  2.8196 -2.689178      3.890593 
1 1 1 17 21 26 o 80.687  1.9767 65.678   2.2183  82.848  2.4662 78.525  3.0898 4.322334       3.953407 
1 1 1 17 21 28 o 34.478  3.7978 12.123   1.8495  34.824  5.5006 34.131  5.2380 0.6921463      7.595642 
1 1 1 17 21 30 o 70.539  2.2708 49.960   2.2555  66.374  3.1745 74.704  3.2479 -8.329338      4.541650 
1 1 1 17 21 32 o 59.906  2.5759 36.553   2.1634  58.520  3.9279 61.292  3.3336 -2.772697      5.151836 
1 1 1 17 21 34 o 17.773  5.1353 1.5894   2.0707  19.733  7.6672 15.812  6.8337 3.921437       10.27068 
1 1 1 17 21 36 o 16.354  4.9119 0.8610   1.9711  17.291  7.2438 15.417  6.6357 1.873931       9.823723 
1 1 1 17 21 38 o 29.253  5.0962 10.088   2.0897  32.285  7.2915 26.221  7.1219 6.064278       10.19248 
1 1 1 17 21 40 o 34.060  4.5886 13.288   2.1409  41.559  5.8382 26.561  7.0806 14.99816       9.177104 
1 1 1 17 21 42 o 15.103  4.9383 -1.4306  2.5023  14.973  7.0454 15.234  6.9218 -0.2602634     9.876687 
1 1 1 17 21 44 o 14.552  4.8062 -1.2837  2.3843  15.967  7.3638 13.136  6.1784 2.830179       9.612463 
1 1 1 17 22 1  o 278.317 2.2551 775.896  8.8734  278.140 3.1450 278.493 3.2327 -0.3535767     4.510159 
1 1 1 17 22 3  o 56.153  2.0900 31.535   1.6577  57.798  2.9827 54.507  2.9285 3.291035       4.180066 
1 1 1 17 22 5  o 217.141 1.9447 472.251  5.9685  216.034 2.8078 218.249 2.6915 -2.215103      3.889487 
1 1 1 17 22 7  o 225.756 1.9826 509.848  6.2896  227.725 2.9721 223.786 2.6249 3.938782       3.965279 
1 1 1 17 22 9  o 82.359  1.7961 67.069   1.9921  85.168  2.9238 79.551  2.0869 5.616814       3.592186 
1 1 1 17 22 11 o 71.399  1.9481 50.735   1.8841  72.720  3.1609 70.078  2.2778 2.641373       3.896145 
1 1 1 17 22 13 o 79.635  1.8259 63.122   1.9933  81.262  2.9072 78.008  2.2100 3.254044       3.651828 
1 1 1 17 22 15 o 73.713  2.0298 53.716   2.0374  76.720  3.2458 70.705  2.4382 6.014732       4.059561 
1 1 1 17 22 17 o 109.050 1.7038 118.647  2.5789  107.197 2.1443 110.902 2.6484 -3.704887      3.407632 
1 1 1 17 22 19 o 89.363  1.7682 79.879   2.2275  87.517  2.4076 91.210  2.5901 -3.692940      3.536303 
1 1 1 17 22 21 o 43.547  2.9061 19.098   1.7855  43.777  3.9380 43.317  4.2747 0.4607430      5.812171 
1 1 1 17 22 23 o 65.671  2.3379 43.354   2.1709  64.942  3.3429 66.400  3.2694 -1.458420      4.675895 
1 1 1 17 22 25 o 36.160  3.5700 13.254   1.8192  38.271  4.8383 34.049  5.2507 4.222252       7.139924 
1 1 1 17 22 27 o 37.490  4.2547 15.255   2.0354  32.826  7.3772 42.155  4.2411 -9.328674      8.509388 
1 1 1 17 22 29 o 61.367  2.2086 37.993   1.9134  61.297  3.2291 61.437  3.0139 -0.1400681     4.417135 
1 1 1 17 22 31 o 23.626  5.5954 5.7854   2.1987  22.682  7.7392 24.570  8.0833 -1.888027      11.19086 
1 1 1 17 22 33 o 16.231  4.8739 0.6343   1.9344  17.642  7.3078 14.820  6.4510 2.822379       9.747822 
1 1 1 17 22 35 f 46.578  3.4413 22.857   2.2662  46.476  4.8084 46.680  4.9242 -0.2038155     6.882535 
1 1 1 17 22 37 o 61.973  2.6606 39.808   2.3091  63.633  4.0137 60.312  3.4936 3.321278       5.321165 
1 1 1 17 22 39 o 22.196  5.4712 5.3491   2.2555  27.227  8.2228 17.164  7.2196 10.06273       10.94242 
1 1 1 17 22 41 o 17.283  5.0642 2.2495   2.0629  14.588  6.4904 19.978  7.7757 -5.390152      10.12849 
1 1 1 17 22 43 o 17.478  5.0451 3.1500   2.0108  18.921  7.3274 16.036  6.9370 2.884790       10.09022 
1 1 1 17 23 0  o 103.276 2.3521 106.886  4.8526  103.276 2.3521 ?       ?      0.000000       0.000000 
1 1 1 17 23 2  o 101.283 1.6947 102.735  2.4263  103.080 2.3538 99.487  2.4388 3.593369       3.389456 
1 1 1 17 23 4  o 155.010 1.7043 240.578  3.7350  152.191 2.4334 157.830 2.3869 -5.639969      3.408555 
1 1 1 17 23 6  o 317.289 2.5342 1009.00  11.342  319.131 3.7214 315.447 3.4410 3.684479       5.068478 
1 1 1 17 23 8  o 326.603 2.5170 1067.59  11.570  331.862 3.7326 321.344 3.3779 10.51831       5.034092 
1 1 1 17 23 10 o 170.383 1.8608 290.563  4.4367  170.869 2.8400 169.898 2.4052 0.9714203      3.721639 
1 1 1 17 23 12 o 90.355  1.9415 82.228   2.3440  89.022  3.2276 91.689  2.1588 -2.667305      3.883006 
1 1 1 17 23 14 o 174.638 1.8024 305.124  4.3988  175.835 2.7598 173.441 2.3193 2.393921       3.604901 
1 1 1 17 23 16 o 111.989 1.6677 126.178  2.4973  110.699 2.7686 113.279 1.8601 -2.580818      3.335427 
1 1 1 17 23 18 o 111.893 1.8171 125.309  2.8605  113.358 2.7037 110.428 2.4285 2.930771       3.634186 
1 1 1 17 23 20 o 122.451 1.6597 150.310  2.8719  122.562 2.2923 122.340 2.4008 0.2217178      3.319368 
1 1 1 17 23 22 o 108.009 2.0157 116.995  3.0316  108.440 3.1207 107.578 2.5522 0.8619385      4.031395 
1 1 1 17 23 24 o 43.034  3.5146 18.764   2.1385  42.449  4.9637 43.619  4.9770 -1.169693      7.029132 
1 1 1 17 23 26 o 20.157  5.4822 2.9704   2.1987  19.034  7.5139 21.281  7.9849 -2.247244      10.96438 
1 1 1 17 23 28 o 37.525  3.6099 14.422   1.9134  37.216  4.9755 37.835  5.2316 -0.6188774     7.219794 
1 1 1 17 23 30 f 71.008  2.4168 50.845   2.3994  73.328  3.6572 68.687  3.1606 4.640678       4.833633 
1 1 1 17 23 32 o 37.147  3.2897 14.383   1.7216  37.805  4.3912 36.490  4.8995 1.315239       6.579360 
1 1 1 17 23 34 o 17.531  5.2308 0.9191   2.2555  14.834  6.6953 20.229  8.0386 -5.395271      10.46164 
1 1 1 17 23 36 o 35.360  4.7188 14.313   2.2827  34.483  7.4335 36.237  5.8147 -1.753510      9.437561 
1 1 1 17 23 38 o 24.010  5.7455 7.1390   2.3301  25.250  8.1944 22.769  8.0557 2.480698       11.49096 
1 1 1 17 23 40 o 14.918  4.8527 -1.0741  2.3091  16.367  7.3801 13.469  6.3030 2.897211       9.705343 
1 1 1 17 23 42 o 17.476  5.1985 2.9189   2.1691  17.392  7.6799 17.560  7.0084 -0.1681118     10.39709 
1 1 1 17 24 1  o 70.534  2.1139 49.867   2.1071  68.950  3.0559 72.118  2.9217 -3.168358      4.227889 
1 1 1 17 24 3  f 50.900  2.5785 26.020   1.8495  49.955  3.8345 51.846  3.4483 -1.891094      5.156975 
1 1 1 17 24 5  o 105.518 1.7132 111.540  2.5524  104.425 2.5069 106.610 2.3358 -2.184616      3.426440 
1 1 1 17 24 7  o 111.748 1.7619 125.248  2.7742  109.600 2.6216 113.895 2.3545 -4.295296      3.523725 
1 1 1 17 24 9  o 77.075  1.9227 59.526   2.0354  76.973  3.0692 77.176  2.3166 -0.2022247     3.845305 
1 1 1 17 24 11 o 106.428 1.7695 113.372  2.6186  106.799 2.7501 106.058 2.2275 0.7414322      3.539091 
1 1 1 17 24 13 o 139.883 1.7931 196.450  3.4549  138.820 2.8517 140.946 2.1745 -2.125717      3.586145 
1 1 1 17 24 15 o 38.090  4.4542 18.336   1.6580  28.292  8.5405 47.888  2.5333 -19.59571      8.908308 
1 1 1 17 24 17 o 16.371  4.6586 0.4762   1.7618  14.941  6.8667 17.801  6.2975 -2.859892      9.317173 
1 1 1 17 24 19 o 16.216  4.9611 -0.2554  1.9005  17.259  7.8373 15.173  6.0850 2.085932       9.922247 
1 1 1 17 24 21 o 44.428  3.6012 19.425   2.1655  47.980  5.7223 40.877  4.3737 7.103806       7.202339 
1 1 1 17 24 23 o 74.252  2.0992 55.350   2.1987  78.319  2.9350 70.186  3.0021 8.132423       4.198408 
1 1 1 17 24 25 o 38.506  3.2391 15.004   1.7274  39.092  5.0633 37.920  4.0411 1.171726       6.478286 
1 1 1 17 24 27 o 55.047  2.3789 30.631   1.8495  55.490  3.4520 54.605  3.2741 0.8848763      4.757726 
1 1 1 17 24 29 f 85.617  1.8476 73.888   2.2275  86.097  2.7440 85.137  2.4749 0.9597931      3.695191 
1 1 1 17 24 31 o 70.694  2.2344 50.796   2.2275  67.251  3.1331 74.138  3.1866 -6.886200      4.468875 
1 1 1 17 24 33 o 22.377  5.9403 5.0953   2.5285  24.372  8.8774 20.382  7.8957 3.990402       11.88061 
1 1 1 17 24 35 o 25.287  5.1982 7.6250   1.9773  23.461  7.3513 27.114  7.3515 -3.652634      10.39644 
1 1 1 17 24 37 o 25.331  6.0096 8.0296   2.6116  21.572  8.2513 29.090  8.7393 -7.518259      12.01910 
1 1 1 17 24 39 o 25.256  5.3448 8.4508   2.1033  22.829  8.4462 27.682  6.5519 -4.853868      10.68953 
1 1 1 17 24 41 o 18.194  5.1835 3.3888   2.1347  15.135  6.7210 21.254  7.8933 -6.118453      10.36702 
1 1 1 17 25 0  o 254.950 3.0815 651.019  15.707  254.950 3.0815 ?       ?      0.000000       0.000000 
1 1 1 17 25 2  o 179.977 1.9071 324.552  4.8526  182.513 2.6588 177.440 2.7348 5.073212       3.814223 
1 1 1 17 25 4  o 73.673  2.1210 54.428   2.1913  73.401  3.2186 73.945  2.7632 -0.5441360     4.241987 
1 1 1 17 25 6  o 133.087 1.8319 177.440  3.4479  133.207 2.5884 132.967 2.5931 0.2398834      3.663856 
1 1 1 17 25 8  f 99.826  1.7873 99.676   2.5120  101.285 2.6477 98.367  2.4017 2.918411       3.574689 
1 1 1 17 25 10 o 125.336 1.8237 157.205  3.1988  126.431 2.7776 124.240 2.3641 2.191696       3.647462 
1 1 1 17 25 12 o 102.423 1.8244 105.021  2.5618  102.854 2.9177 101.991 2.1911 0.8635559      3.648834 
1 1 1 17 25 14 o 91.812  2.1080 84.319   2.6502  92.771  3.3725 90.852  2.5301 1.919502       4.216006 
1 1 1 17 25 16 o 101.848 1.9139 103.454  2.6921  104.214 3.0022 99.482  2.3748 4.731987       3.827869 
1 1 1 17 25 18 o 136.625 1.8804 187.354  3.5598  136.317 2.9509 136.933 2.3315 -0.6152039     3.760777 
1 1 1 17 25 20 o 55.281  3.1683 31.287   2.2986  53.441  5.3765 57.121  3.3534 -3.680504      6.336600 
1 1 1 17 25 22 o 23.208  5.2669 5.4364   2.0067  20.997  7.6841 25.420  7.2051 -4.423103      10.53372 
1 1 1 17 25 24 o 47.991  2.9442 23.386   1.9464  48.213  3.5757 47.768  4.6783 0.4447250      5.888351 
1 1 1 17 25 26 o 63.417  2.5443 40.931   2.2555  64.939  3.2447 61.896  3.9200 3.043510       5.088665 
1 1 1 17 25 28 o 90.493  2.2196 82.769   2.8324  92.755  3.2354 88.230  3.0395 4.525002       4.439142 
1 1 1 17 25 30 o 83.348  2.0349 70.576   2.3837  83.640  3.0536 83.057  2.6907 0.5831680      4.069891 
1 1 1 17 25 32 o 28.200  4.7319 9.1162   1.9773  34.139  5.6110 22.262  7.6210 11.87652       9.463785 
1 1 1 17 25 34 o 15.892  5.0456 -1.3476  2.4246  18.007  7.7211 13.776  6.4975 4.231427       10.09124 
1 1 1 17 25 36 o 21.324  5.9005 4.9725   2.5761  21.632  8.5652 21.016  8.1180 0.6160336      11.80108 
1 1 1 17 25 38 o 18.209  5.2969 3.1814   2.2024  19.069  7.6636 17.349  7.3142 1.720064       10.59381 
1 1 1 17 25 40 o 17.579  5.2915 2.2045   2.4246  20.719  8.1719 14.439  6.7246 6.279941       10.58298 
1 1 1 17 26 1  o 79.558  2.0440 63.474   2.2968  79.392  2.9757 79.725  2.8031 -0.3330154     4.088053 
1 1 1 17 26 3  o 82.359  2.0651 67.578   2.3429  84.340  3.2553 80.377  2.5420 3.963242       4.130274 
1 1 1 17 26 5  o 22.280  5.1586 4.6935   1.9469  19.331  7.3674 25.229  7.2225 -5.898046      10.31713 
1 1 1 17 26 7  o 123.953 1.8051 153.988  3.1525  124.093 2.6756 123.813 2.4238 0.2795792      3.610194 
1 1 1 17 26 9  o 175.299 1.9075 308.153  4.7172  175.207 2.8061 175.392 2.5847 -0.1846466     3.815098 
1 1 1 17 26 11 o 118.418 1.8883 140.088  3.1345  121.352 2.8413 115.484 2.4880 5.868401       3.776639 
1 1 1 17 26 13 o 181.604 1.9205 330.606  4.8759  182.550 2.9381 180.658 2.4740 1.892212       3.840962 
1 1 1 17 26 15 o 173.370 1.9278 302.164  4.6441  171.799 3.0104 174.940 2.4089 -3.140503      3.855573 
1 1 1 17 26 17 o 127.005 1.9033 161.823  3.2181  126.995 3.1675 127.014 2.1114 -0.1863098E-01 3.806697 
1 1 1 17 26 19 o 156.311 2.0557 245.670  4.5109  156.373 3.1033 156.250 2.6970 0.1227417      4.111475 
1 1 1 17 26 21 o 33.056  4.2797 11.805   1.8398  29.579  7.3601 36.533  4.3694 -6.953667      8.559355 
1 1 1 17 26 23 o 73.386  2.3081 54.413   2.3940  74.005  3.1923 72.767  3.3344 1.237762       4.616140 
1 1 1 17 26 25 o 82.397  2.5969 67.789   2.9573  76.639  3.3325 88.155  3.9836 -11.51598      5.193737 
1 1 1 17 26 27 o 67.972  2.4975 47.162   2.3940  70.244  3.3632 65.701  3.6930 4.542969       4.994951 
1 1 1 17 26 29 o 45.212  3.6294 21.645   2.2986  41.610  5.5241 48.813  4.7090 -7.202515      7.258871 
1 1 1 17 26 31 o 27.553  5.2171 8.7426   2.0354  28.805  7.9473 26.301  6.7612 2.503820       10.43426 
1 1 1 17 26 33 o 22.447  5.9704 5.4722   2.5761  24.178  8.7789 20.716  8.0941 3.461378       11.94082 
1 1 1 17 26 35 o 24.934  5.1721 7.6621   1.9794  22.252  7.5010 27.617  7.1229 -5.364391      10.34415 
1 1 1 17 26 37 o 59.840  3.2180 39.390   2.7103  58.247  4.8233 61.433  4.2613 -3.186405      6.436088 
1 1 1 17 26 39 o 20.713  5.5830 5.8494   2.2915  19.842  7.9808 21.583  7.8093 -1.740694      11.16592 
1 1 1 17 27 0  o 135.915 2.5859 185.166  7.0236  135.915 2.5859 ?       ?      0.000000       0.000000 
1 1 1 17 27 2  o 125.219 1.8748 157.169  3.3190  127.176 2.6609 123.263 2.6418 3.913200       3.749635 
1 1 1 17 27 4  o 109.601 1.7583 120.527  2.6952  108.997 2.6947 110.206 2.2596 -1.208992      3.516665 
1 1 1 17 27 6  o 64.417  2.3893 41.728   2.1634  63.953  3.5942 64.881  3.1492 -0.9278984     4.778681 
1 1 1 17 27 8  o 93.628  1.9076 88.461   2.4492  91.612  3.0666 95.644  2.2698 -4.031609      3.815261 
1 1 1 17 27 10 f 95.623  1.9936 91.306   2.6270  97.442  3.1453 93.804  2.4504 3.637901       3.987162 
1 1 1 17 27 12 o 76.253  2.3676 58.334   2.5476  78.243  3.4274 74.263  3.2672 3.979782       4.735151 
1 1 1 17 27 14 o 31.061  4.9394 10.428   2.1240  26.617  8.3901 35.506  5.2151 -8.888870      9.878828 
1 1 1 17 27 16 f 82.008  2.2107 67.187   2.4053  83.306  3.6790 80.710  2.4524 2.596588       4.421466 
1 1 1 17 27 18 o 107.401 2.1257 116.189  3.2241  103.514 3.0841 111.288 2.9261 -7.773796      4.251333 
1 1 1 17 27 20 f 107.876 1.9783 117.378  2.9792  106.661 3.0530 109.091 2.5168 -2.430252      3.956635 
1 1 1 17 27 22 o 89.889  2.1719 81.714   2.6291  89.382  3.5718 90.396  2.4722 -1.013939      4.343865 
1 1 1 17 27 24 o 35.495  6.3304 13.709   2.9767  31.621  7.5621 39.369  10.154 -7.747635      12.66084 
1 1 1 17 27 26 o 18.692  5.0390 2.9609   1.8398  18.613  7.5231 18.771  6.7058 -0.1576290     10.07797 
1 1 1 17 27 28 o 21.233  5.4706 4.5343   2.1156  23.185  8.1705 19.282  7.2771 3.903545       10.94129 
1 1 1 17 27 30 o 19.632  5.2459 3.5918   1.9986  21.767  7.8158 17.498  6.9993 4.268463       10.49180 
1 1 1 17 27 32 f 35.687  4.7542 14.582   2.2951  35.232  7.6451 36.142  5.6534 -0.9100456     9.508311 
1 1 1 17 27 34 o 36.088  4.9212 15.305   2.2407  35.413  8.5572 36.764  4.8630 -1.350895      9.842459 
1 1 1 17 27 36 o 46.084  3.9781 24.471   2.5855  44.543  5.8771 47.624  5.3629 -3.080730      7.956208 
1 1 1 17 28 1  o 108.633 1.9326 118.358  2.9660  107.441 2.6743 109.826 2.7906 -2.385124      3.865137 
1 1 1 17 28 3  o 63.315  2.7211 40.493   2.4246  65.595  3.6016 61.034  4.0800 4.561192       5.442207 
1 1 1 17 28 5  o 94.079  1.9246 88.792   2.5397  94.224  2.9139 93.933  2.5150 0.2905502      3.849172 
1 1 1 17 28 7  o 34.137  4.7418 12.315   2.1469  32.049  7.9883 36.225  5.1115 -4.175926      9.483674 
1 1 1 17 28 9  o 50.167  3.5249 25.770   2.3440  48.476  5.9272 51.857  3.8169 -3.381420      7.049888 
1 1 1 17 28 11 o 36.835  4.7311 14.799   2.2543  31.625  8.2081 42.046  4.7076 -10.42124      9.462258 
1 1 1 17 28 13 o 93.789  1.9939 88.008   2.5416  95.036  3.2249 92.542  2.3459 2.494598       3.987870 
1 1 1 17 28 15 f 93.652  1.8216 88.809   2.3003  91.501  3.0006 95.803  2.0661 -4.302170      3.643114 
1 1 1 17 28 17 o 61.330  2.8740 38.086   2.3882  61.351  4.6833 61.309  3.3326 0.4210281E-01  5.748037 
1 1 1 17 28 19 o 30.557  5.3363 9.9536   2.1851  32.533  8.5307 28.581  6.4136 3.952309       10.67269 
1 1 1 17 28 21 o 53.849  3.6618 30.614   2.4294  51.130  6.4936 56.568  3.3862 -5.437363      7.323506 
1 1 1 17 28 23 o 39.634  4.3289 16.299   2.3658  41.720  6.7339 37.548  5.4417 4.172970       8.657794 
1 1 1 17 28 25 o 38.838  4.4175 16.554   2.3301  34.161  6.9702 43.516  5.4290 -9.355145      8.834988 
1 1 1 17 28 27 o 31.406  5.0328 11.905   2.1367  25.758  8.9259 37.054  4.6525 -11.29616      10.06569 
1 1 1 17 28 29 f 46.740  3.8429 23.844   2.4492  44.953  6.2496 48.526  4.4737 -3.572762      7.685827 
1 1 1 17 28 31 o 22.961  5.0634 6.1405   1.8787  19.302  7.0767 26.619  7.2439 -7.316479      10.12687 
1 1 1 17 28 33 o 17.178  5.0125 1.8126   2.0318  16.225  7.3761 18.132  6.7893 -1.907110      10.02510 
1 1 1 17 28 35 o 28.890  5.0632 10.855   2.1071  24.442  7.7196 33.338  6.5539 -8.895647      10.12647 
1 1 1 17 29 0  o 149.277 2.7824 223.477  8.3006  149.277 2.7824 ?       ?      0.000000       0.000000 
1 1 1 17 29 2  o 145.153 1.9613 211.412  4.0135  145.568 2.8950 144.739 2.6469 0.8289642      3.922580 
1 1 1 17 29 4  o 73.495  2.4290 54.276   2.5120  74.120  3.6181 72.871  3.2420 1.248726       4.858098 
1 1 1 17 29 6  o 84.640  2.2274 72.037   2.6186  84.516  3.4752 84.764  2.7871 -0.2480927     4.454793 
1 1 1 17 29 8  o 144.635 1.8337 209.996  3.7022  144.843 2.8213 144.426 2.3431 0.4169006      3.667399 
1 1 1 17 29 10 f 120.437 1.8199 145.490  3.0806  122.012 2.7212 118.861 2.4173 3.150955       3.639860 
1 1 1 17 29 12 o 104.831 1.9598 110.755  2.8222  103.931 3.1332 105.731 2.3552 -1.799988      3.919689 
1 1 1 17 29 14 o 59.463  2.9826 35.332   2.3854  61.809  4.8552 57.116  3.4655 4.692886       5.965133 
1 1 1 17 29 16 o 71.353  2.4949 51.459   2.4312  71.537  4.0165 71.169  2.9606 0.3675461      4.989753 
1 1 1 17 29 18 o 75.850  2.4794 56.498   2.4802  81.265  4.0857 70.435  2.8102 10.82942       4.958826 
1 1 1 17 29 20 o 84.118  2.7078 72.566   2.7099  82.785  4.8591 85.450  2.3911 -2.665337      5.415520 
1 1 1 17 29 22 o 28.293  5.9129 9.2679   2.4966  28.056  9.1373 28.529  7.5073 -0.4729290     11.82580 
1 1 1 17 29 24 o 19.184  5.7091 1.8376   2.5416  21.076  8.7769 17.292  7.3034 3.783810       11.41817 
1 1 1 17 29 26 o 19.415  5.2561 2.3074   2.2951  15.774  7.2405 23.056  7.6210 -7.281860      10.51212 
1 1 1 17 29 28 o 16.128  4.9805 0.0355   2.1213  16.092  7.4958 16.164  6.5599 -0.7141304E-01 9.960915 
1 1 1 17 29 30 o 17.603  5.0150 2.1215   1.9608  20.863  7.7734 14.342  6.3382 6.520681       10.02992 
1 1 1 17 29 32 o 17.303  5.2432 1.8055   2.2543  17.886  7.7959 16.720  7.0134 1.166151       10.48639 
1 1 1 17 29 34 o 15.078  4.8978 -0.6074  2.3349  16.333  7.4123 13.823  6.4039 2.510826       9.795547 
1 1 1 17 30 1  o 66.595  2.6485 44.627   2.4640  67.964  4.0398 65.226  3.4262 2.737526       5.297018 
1 1 1 17 30 3  o 78.456  2.6482 62.167   2.9357  81.002  3.7048 75.910  3.7851 5.091965       5.296448 
1 1 1 17 30 5  o 44.227  3.7769 19.959   2.3607  45.284  5.3580 43.169  5.3247 2.114994       7.553813 
1 1 1 17 30 7  o 52.853  2.9720 28.466   2.2024  49.400  4.5238 56.306  3.8556 -6.905807      5.943956 
1 1 1 17 30 9  o 74.139  2.5882 55.545   2.7133  73.890  3.6293 74.388  3.6909 -0.4982300     5.176343 
1 1 1 17 30 11 o 85.069  2.3785 72.887   2.6919  85.536  3.9563 84.602  2.6415 0.9347839      4.757088 
1 1 1 17 30 13 o 84.571  2.2469 71.604   2.6270  87.507  3.5024 81.635  2.8157 5.872414       4.493882 
1 1 1 17 30 15 o 39.866  4.4115 17.760   2.1691  34.120  7.8336 45.612  4.0596 -11.49164      8.823046 
1 1 1 17 30 17 o 37.734  4.8391 15.475   2.3882  35.862  8.1887 39.606  5.1589 -3.743778      9.678219 
1 1 1 17 30 19 o 36.353  5.1077 14.499   2.4758  36.420  8.4046 36.286  5.8068 0.1341591      10.21550 
1 1 1 17 30 21 o 38.200  4.8572 16.702   2.3188  34.235  8.5867 42.165  4.5429 -7.929943      9.714410 
1 1 1 17 30 23 o 21.591  5.2834 3.9587   2.2843  17.745  8.1807 25.437  6.6883 -7.691891      10.56682 
1 1 1 17 30 25 o 20.822  5.7289 3.9145   2.0364  25.065  9.5451 16.579  6.3380 8.485716       11.45770 
1 1 1 17 30 27 o 18.038  5.2787 1.7598   2.2951  16.485  7.4506 19.591  7.4799 -3.106329      10.55744 
1 1 1 17 30 29 o 29.086  5.6598 10.835   2.3882  27.377  9.0374 30.796  6.8159 -3.418985      11.31955 
1 1 1 17 30 31 o 23.873  5.5328 7.5703   2.1907  22.212  8.5441 25.535  7.0319 -3.322256      11.06568 
1 1 1 17 30 33 o 18.838  5.2614 4.1165   2.0789  18.329  7.8895 19.346  6.9631 -1.017483      10.52283 
1 1 1 17 31 0  f 189.234 2.8695 359.606  10.855  189.234 2.8695 ?       ?      0.000000       0.000000 
1 1 1 17 31 2  o 112.243 2.1183 127.190  3.3445  110.410 3.1807 114.077 2.7986 -3.666725      4.236591 
1 1 1 17 31 4  f 56.522  3.0830 32.743   2.2986  55.267  5.1989 57.778  3.3153 -2.511307      6.166032 
1 1 1 17 31 6  o 52.984  4.0390 29.742   2.8768  47.473  6.7249 58.495  4.4754 -11.02219      8.077988 
1 1 1 17 31 8  o 55.171  3.6553 31.007   2.7807  56.693  5.7439 53.649  4.5226 3.044075       7.310680 
1 1 1 17 31 10 o 84.765  2.5803 73.361   2.9573  82.920  4.2351 86.610  2.9489 -3.689552      5.160639 
1 1 1 17 31 12 o 20.624  5.7902 2.9468   2.5185  20.591  8.2866 20.658  8.0894 -0.6638145E-01 11.58043 
1 1 1 17 31 14 o 58.982  4.0718 36.677   2.9940  57.072  7.1601 60.891  3.8798 -3.818310      8.143695 
1 1 1 17 31 16 f 66.299  3.1188 46.572   2.5659  62.531  5.5140 70.067  2.9161 -7.536739      6.237579 
1 1 1 17 31 18 o 40.665  4.7033 18.376   2.4053  38.616  8.1859 42.714  4.6340 -4.098244      9.406561 
1 1 1 17 31 20 o 31.996  5.8134 10.581   2.1892  38.282  9.9263 25.709  6.0538 12.57382       11.62673 
1 1 1 17 31 22 o 46.008  5.5064 23.399   2.8770  46.830  9.9769 45.186  4.6631 1.644283       11.01283 
1 1 1 17 31 24 o 37.091  5.4822 17.154   2.4398  31.705  10.060 42.477  4.3592 -10.77145      10.96431 
1 1 1 17 31 26 o 28.604  6.4992 9.7991   2.4393  30.775  11.342 26.433  6.3503 4.341406       12.99836 
1 1 1 17 31 28 o 18.481  5.4153 2.5260   2.2951  21.334  8.3900 15.629  6.8490 5.704903       10.83053 
1 1 1 17 31 30 o 18.785  5.7153 2.8688   2.7084  21.100  8.7812 16.471  7.3178 4.628794       11.43065 
1 1 1 17 31 32 o 19.225  5.6224 4.1187   2.6033  17.575  7.9585 20.875  7.9442 -3.299778      11.24488 
1 1 1 17 32 1  o 101.516 2.2249 104.229  3.1912  102.168 3.0623 100.865 3.2285 1.302986       4.449775 
1 1 1 17 32 3  o 53.802  3.3146 29.606   2.5120  54.962  4.8792 52.641  4.4879 2.321011       6.629283 
1 1 1 17 32 5  o 65.568  3.1956 44.301   2.9316  62.335  4.9167 68.800  4.0834 -6.465477      6.391286 
1 1 1 17 32 7  o 77.271  2.2653 60.459   2.4247  77.199  3.5565 77.343  2.8069 -0.1436615     4.530679 
1 1 1 17 32 9  o 91.346  2.3897 84.586   3.0169  91.162  2.9417 91.531  3.7669 -0.3692245     4.779494 
1 1 1 17 32 11 o 84.372  2.7896 72.758   3.0269  84.005  4.7885 84.739  2.8633 -0.7341919     5.579256 
1 1 1 17 32 13 o 18.622  5.6884 0.4853   2.6689  18.953  8.6380 18.290  7.4037 0.6639004      11.37675 
1 1 1 17 32 15 o 53.603  3.3995 29.949   2.4966  54.011  5.4380 53.195  4.0810 0.8155518      6.799047 
1 1 1 17 32 17 o 61.634  3.1977 40.232   2.4802  59.331  5.5961 63.938  3.0958 -4.607018      6.395361 
1 1 1 17 32 19 o 29.208  5.9176 10.275   2.5798  25.836  10.019 32.581  6.3001 -6.745028      11.83530 
1 1 1 17 32 21 o 24.348  6.1191 6.5174   2.2802  28.424  10.128 20.272  6.8695 8.152416       12.23828 
1 1 1 17 32 23 o 30.575  5.7006 10.698   2.1822  33.805  9.6941 27.346  6.0009 6.459379       11.40110 
1 1 1 17 32 25 o 41.194  5.8680 21.135   2.7191  38.333  10.842 44.056  4.4928 -5.723778      11.73609 
1 1 1 17 32 27 o 23.386  5.8922 6.9077   2.3164  22.954  9.6987 23.817  6.6938 -0.8628845     11.78439 
1 1 1 17 32 29 o 17.779  5.4257 2.5344   2.4885  18.537  7.8796 17.020  7.4610 1.517330       10.85147 
1 1 1 17 33 0  o 54.533  4.2665 30.648   4.5972  54.533  4.2665 ?       ?      0.000000       0.000000 
1 1 1 17 33 2  f 72.664  2.7686 53.973   2.8410  69.958  4.0159 75.370  3.8122 -5.412628      5.537166 
1 1 1 17 33 4  o 51.795  3.7483 27.966   2.7456  51.672  5.3135 51.918  5.2883 -0.2465477     7.496595 
1 1 1 17 33 6  o 29.061  6.2122 9.7449   2.7683  27.005  8.6123 31.118  8.9550 -4.112890      12.42431 
1 1 1 17 33 8  o 28.623  5.4615 9.4247   2.2447  28.833  8.2288 28.414  7.1831 0.4185448      10.92291 
1 1 1 17 33 10 o 38.064  5.3431 16.359   2.7331  39.976  8.1091 36.152  6.9598 3.823383       10.68623 
1 1 1 17 33 12 o 32.845  5.5367 13.304   2.6005  25.385  9.8448 40.304  5.0695 -14.91929      11.07333 
1 1 1 17 33 14 o 45.023  5.0430 23.380   2.9996  37.379  8.4040 52.668  5.5767 -15.28862      10.08593 
1 1 1 17 33 16 o 62.837  2.9753 40.836   2.5416  63.728  4.8092 61.946  3.5046 1.782906       5.950650 
1 1 1 17 33 18 o 48.084  4.3097 26.021   2.7383  44.600  7.3012 51.569  4.5812 -6.968399      8.619496 
1 1 1 17 33 20 o 19.601  5.7461 2.9499   2.1454  23.259  9.5642 15.943  6.3714 7.316591       11.49214 
1 1 1 17 33 22 o 22.821  5.8184 5.6778   2.4754  20.862  9.3402 24.779  6.9408 -3.916649      11.63673 
1 1 1 17 33 24 o 18.800  5.8066 2.0858   2.6392  20.363  9.1847 17.237  7.1067 3.125648       11.61310 
1 1 1 17 33 26 o 23.040  6.0424 6.9692   2.6084  21.848  9.6281 24.231  7.3037 -2.383522      12.08486 
1 1 1 17 33 28 o 25.479  6.4900 10.269   2.9747  24.347  10.224 26.610  7.9968 -2.262804      12.98002 
1 1 1 17 34 1  o 66.485  3.7874 46.894   3.5411  63.837  5.7012 69.133  4.9874 -5.295506      7.574799 
1 1 1 17 34 3  o 25.654  5.8921 7.5194   2.4247  25.897  8.8343 25.411  7.7989 0.4864445      11.78426 
1 1 1 17 34 5  o 18.844  6.1345 -0.9630  2.8867  23.402  10.405 14.286  6.5005 9.115911       12.26906 
1 1 1 17 34 7  o 48.969  4.3760 25.336   2.9116  52.456  6.9382 45.482  5.3347 6.973995       8.751959 
1 1 1 17 34 9  o 39.726  4.7717 17.760   2.5824  36.772  7.5522 42.680  5.8345 -5.907894      9.543402 
1 1 1 17 34 11 o 25.552  6.1051 7.4756   2.7155  23.086  9.2061 28.018  8.0210 -4.931881      12.21019 
1 1 1 17 34 13 o 38.941  5.1262 17.151   2.6728  39.972  8.2672 37.910  6.0633 2.062122       10.25239 
1 1 1 17 34 15 o 34.796  5.1002 14.236   2.2067  32.589  9.0743 37.003  4.6590 -4.413746      10.20048 
1 1 1 17 34 17 o 20.269  5.7345 3.4835   2.4894  23.362  8.8141 17.177  7.3381 6.184774       11.46893 
1 1 1 17 34 19 o 40.043  4.8153 19.097   2.2754  36.243  8.7246 43.843  4.0778 -7.599861      9.630504 
1 1 1 17 34 21 o 60.409  3.6858 39.116   2.8041  62.061  6.3788 58.757  3.6947 3.303703       7.371591 
1 1 1 17 34 23 o 38.580  5.1068 19.023   2.4720  33.883  9.0568 43.276  4.7213 -9.393486      10.21352 
1 1 1 17 34 25 o 17.499  5.4112 1.7311   2.4632  17.515  8.3251 17.483  6.9151 0.3214836E-01  10.82247 
1 1 1 17 35 0  o 49.761  6.7358 27.328   6.5127  49.761  6.7358 ?       ?      0.000000       0.000000 
1 1 1 17 35 2  f 30.127  6.4290 10.969   2.9670  26.273  8.7310 33.981  9.4393 -7.708330      12.85806 
1 1 1 17 35 4  o 18.124  5.5475 -1.0020  2.8768  15.233  7.3057 21.014  8.3501 -5.781605      11.09497 
1 1 1 17 35 6  o 36.456  6.1366 15.908   3.0648  39.027  9.2842 33.886  8.0272 5.141682       12.27327 
1 1 1 17 35 8  o 52.531  4.0063 30.029   2.9687  50.780  5.9097 54.281  5.4109 -3.500957      8.012670 
1 1 1 17 35 10 o 45.461  4.1637 22.405   2.4621  46.141  7.0574 44.780  4.4202 1.360977       8.327359 
1 1 1 17 35 12 o 22.330  5.8260 5.0266   2.5397  26.732  8.8343 17.928  7.5976 8.804811       11.65197 
1 1 1 17 35 14 f 19.580  5.8450 2.5772   2.7862  19.245  8.4112 19.916  8.1185 -0.6713352     11.69005 
1 1 1 17 35 16 o 21.467  5.5183 4.6689   2.3547  18.836  8.5299 24.097  7.0035 -5.261215      11.03665 
1 1 1 17 35 18 o 25.053  5.7568 7.9639   2.3086  24.040  9.1659 26.066  6.9676 -2.026018      11.51352 
1 1 1 17 35 20 f 38.521  5.9227 21.116   3.1550  29.626  10.408 47.416  5.6557 -17.78989      11.84550 
1 1 1 17 35 22 o 24.165  6.2384 8.2367   2.6338  23.838  10.127 24.491  7.2880 -0.6523819     12.47672 
1 1 1 17 35 24 o 18.065  5.4052 2.5018   2.5250  16.726  7.9848 19.404  7.2875 -2.678059      10.81043 
1 1 1 17 36 1  o 29.869  5.8200 11.006   2.5824  33.759  8.0464 25.979  8.4112 7.779688       11.64010 
1 1 1 17 36 3  o 39.703  5.3147 18.639   2.8676  39.841  7.1509 39.564  7.8644 0.2768364      10.62940 
1 1 1 17 36 5  o 36.019  5.7542 15.375   2.7583  39.523  8.9330 32.514  7.2557 7.009136       11.50845 
1 1 1 17 36 7  o 65.453  3.1460 45.417   2.9048  62.373  4.6066 68.532  4.2858 -6.158516      6.291911 
1 1 1 17 36 9  o 20.431  5.8975 3.6637   2.5834  21.048  9.0997 19.814  7.5046 1.234249       11.79503 
1 1 1 17 36 11 o 47.407  3.9506 24.740   2.6309  49.003  5.8634 45.811  5.2963 3.192089       7.901298 
1 1 1 17 36 13 o 61.639  3.8067 41.790   3.2186  61.952  6.0808 61.326  4.5812 0.6263313      7.613357 
1 1 1 17 36 15 o 38.196  5.2934 17.815   2.5480  36.366  9.2748 40.026  5.1048 -3.659710      10.58684 
1 1 1 17 36 17 o 46.361  4.3459 24.235   2.7314  53.314  6.5869 39.407  5.6709 13.90683       8.691773 
1 1 1 17 36 19 o 67.125  3.6104 50.419   2.9747  65.968  6.3882 68.282  3.3663 -2.314316      7.220865 
1 1 1 17 36 21 o 73.683  3.1671 59.350   2.9422  74.345  5.4965 73.020  3.1479 1.325455       6.334153 
1 1 1 17 37 0  o 17.960  9.8361 5.6188   4.9803  17.960  9.8361 ?       ?      0.000000       0.000000 
1 1 1 17 37 2  o 18.860  5.6582 2.1512   2.6802  20.322  8.2418 17.398  7.7546 2.924599       11.31641 
1 1 1 17 37 4  o 19.882  5.8317 3.3352   2.7133  21.017  8.4165 18.746  8.0744 2.271961       11.66332 
1 1 1 17 37 6  o 18.737  5.7361 1.5150   2.7383  22.271  9.1374 15.203  6.9370 7.067778       11.47225 
1 1 1 17 37 8  o 18.757  5.7212 2.0316   2.7731  18.546  8.2719 18.967  7.9059 -0.4215107     11.44235 
1 1 1 17 37 10 o 35.435  5.7812 16.280   2.7785  31.874  9.9470 38.996  5.8946 -7.121592      11.56240 
1 1 1 17 37 12 o 38.326  6.0162 19.758   3.1533  36.005  9.9575 40.647  6.7546 -4.642475      12.03235 
1 1 1 17 37 14 o 28.192  6.2879 11.351   2.6859  28.020  10.194 28.364  7.3649 -0.3439960     12.57582 
1 1 1 17 37 16 o 33.900  5.2820 15.043   2.3854  31.915  9.0096 35.885  5.5159 -3.970057      10.56394 
1 1 1 17 37 18 o 29.274  5.9238 12.121   2.4720  32.718  9.1874 25.831  7.4805 6.886580       11.84760 
1 1 1 17 38 1  o 18.893  5.7648 2.6817   2.8036  18.688  8.0127 19.099  8.2903 -0.4111309     11.52969 
1 1 1 17 38 3  f 22.348  6.0842 6.3439   2.7771  24.446  8.7885 20.250  8.4162 4.195692       12.16840 
1 1 1 17 38 5  o 20.960  6.2148 5.0168   3.0648  21.464  9.2293 20.456  8.3255 1.008221       12.42953 
1 1 1 17 38 7  o 27.258  6.7819 11.414   3.2113  28.028  10.114 26.488  9.0374 1.539129       13.56371 
1 1 1 17 38 9  o 22.595  6.1783 7.0236   2.8094  22.044  8.6846 23.146  8.7901 -1.101345      12.35667 
1 1 1 17 38 11 o 17.630  5.4311 2.4182   2.3762  19.297  8.4658 15.962  6.8056 3.335414       10.86210 
1 1 1 17 38 13 o 14.518  5.0261 -5.5685  3.1716  16.069  7.8233 12.966  6.3123 3.103225       10.05230 
1 1 1 17 39 0  o 29.564  11.128 14.302   6.1296  29.564  11.128 ?       ?      0.000000       0.000000 
1 1 1 17 39 2  o 17.838  5.6340 1.9253   2.9048  17.257  7.8366 18.419  8.0966 -1.162849      11.26793 
1 1 1 17 39 4  o 25.660  5.9038 9.7464   2.6450  22.018  9.1993 29.301  7.4022 -7.283583      11.80759 
1 1 1 17 39 6  o 24.144  6.3544 8.9964   3.0818  21.221  9.1361 27.066  8.8343 -5.845436      12.70878 
1 1 1 17 39 8  o 19.913  6.0161 4.6755   2.8698  22.772  9.4336 17.054  7.4686 5.717964       12.03216 
1 1 1 18 1  1  o 674.812 4.2087 4556.71  40.150  672.753 5.8654 676.870 6.0372 -4.117004      8.417309 
1 1 1 18 1  3  o 546.310 3.5620 2985.98  27.517  540.761 5.0418 551.859 5.0330 -11.09753      7.123957 
1 1 1 18 1  5  o 192.852 1.8033 371.829  4.9090  193.944 2.6338 191.761 2.4640 2.182739       3.606644 
1 1 1 18 1  7  o 323.688 2.3362 1047.74  10.690  326.822 3.3408 320.553 3.2667 6.268555       4.672482 
1 1 1 18 1  9  o 810.179 4.9614 6574.36  56.786  810.447 7.2009 809.910 6.8272 0.5363770      9.922895 
1 1 1 18 1  11 o 119.338 1.3282 142.629  2.2275  118.026 2.0016 120.650 1.7464 -2.623344      2.656425 
1 1 1 18 1  13 o 58.471  1.7802 33.974   1.4436  60.107  2.7619 56.835  2.2469 3.272133       3.560450 
1 1 1 18 1  15 o 274.880 2.0285 755.781  7.8844  271.768 2.8663 277.991 2.8711 -6.222565      4.056949 
1 1 1 18 1  17 o 116.984 1.6429 136.880  2.7043  116.877 2.1852 117.091 2.4539 -0.2140121     3.285836 
1 1 1 18 1  19 f 291.959 2.3562 854.049  9.1019  292.783 2.5734 291.135 3.9477 1.647888       4.712357 
1 1 1 18 1  21 o 156.111 1.9792 242.314  4.3344  162.992 2.9380 149.230 2.6528 13.76239       3.958444 
1 1 1 18 1  23 o 104.531 1.3840 109.240  2.0352  103.983 1.8421 105.078 2.0660 -1.094421      2.768005 
1 1 1 18 1  25 o 90.944  1.4694 82.729   1.8701  90.807  1.8985 91.081  2.2433 -0.2730942     2.938817 
1 1 1 18 1  27 o 160.357 1.7630 256.745  3.7646  159.410 1.9627 161.305 2.9292 -1.895752      3.525930 
1 1 1 18 1  29 o 94.330  1.5572 88.613   2.0511  91.768  2.0178 96.893  2.3723 -5.124573      3.114376 
1 1 1 18 1  31 o 95.332  1.5628 90.888   2.1051  92.522  2.2084 98.143  2.2120 -5.620384      3.125663 
1 1 1 18 1  33 f 107.110 1.6894 114.826  2.5397  106.469 2.2189 107.752 2.5480 -1.283585      3.378781 
1 1 1 18 1  35 o 76.567  2.2575 58.767   2.1899  76.397  2.2566 76.737  3.9107 -0.3393860     4.515081 
1 1 1 18 1  37 o 64.777  2.3491 42.563   2.0587  66.649  2.6824 62.906  3.8571 3.742702       4.698124 
1 1 1 18 1  39 o 29.643  4.6002 9.4946   1.8964  33.765  5.1058 25.522  7.6537 8.243053       9.200438 
1 1 1 18 1  41 o 14.743  4.5320 -0.2919  1.7057  14.159  5.9220 15.327  6.8619 -1.168325      9.063971 
1 1 1 18 1  43 o 37.806  3.4833 14.798   1.8164  37.254  4.2848 38.358  5.4932 -1.103752      6.966699 
1 1 1 18 1  45 o 37.907  3.6670 15.025   1.8590  36.558  4.1918 39.256  6.0181 -2.698341      7.334048 
1 1 1 18 1  47 o 15.329  4.5780 0.3226   1.8147  17.486  6.8246 13.172  6.1038 4.314198       9.155955 
1 1 1 18 1  49 o 21.409  5.4870 5.2432   2.1240  17.859  7.0458 24.959  8.4134 -7.100094      10.97397 
1 1 1 18 1  51 o 14.745  4.6565 0.5108   1.9464  14.092  6.2263 15.398  6.9256 -1.305803      9.312913 
1 1 1 18 2  0  o 1033.48 8.7497 10692.14 180.824 1033.48 8.7497 ?       ?      0.000000       0.000000 
1 1 1 18 2  2  o 959.564 5.8694 9218.89  79.623  948.853 8.2298 970.275 8.3706 -21.42157      11.73870 
1 1 1 18 2  4  o 689.585 4.2500 4759.94  41.433  686.860 6.1075 692.310 5.9118 -5.449951      8.500051 
1 1 1 18 2  6  o 249.238 1.9837 621.337  6.9915  246.805 2.8199 251.672 2.7908 -4.866974      3.967400 
1 1 1 18 2  8  o 219.069 1.7940 480.151  5.5521  217.844 2.6086 220.295 2.4636 -2.450363      3.588088 
1 1 1 18 2  10 o 308.942 2.2229 954.087  9.6784  311.189 3.2829 306.694 2.9979 4.494659       4.445794 
1 1 1 18 2  12 o 302.915 2.2008 917.674  9.3936  303.689 3.2589 302.140 2.9586 1.548584       4.401523 
1 1 1 18 2  14 o 268.206 1.9476 719.681  7.3514  267.915 2.9075 268.497 2.5921 -0.5817566     3.895225 
1 1 1 18 2  16 o 168.244 1.6915 283.241  4.0226  171.281 2.3485 165.208 2.4349 6.072159       3.382915 
1 1 1 18 2  18 o 160.418 1.7271 257.284  3.8436  159.988 2.1551 160.849 2.6993 -0.8610992     3.454111 
1 1 1 18 2  20 f 165.847 1.7290 275.221  4.0543  164.884 2.4784 166.810 2.4115 -1.926239      3.457967 
1 1 1 18 2  22 o 226.507 1.9097 511.928  6.0240  223.270 2.4308 229.744 2.9459 -6.474335      3.819357 
1 1 1 18 2  24 o 150.325 1.5833 226.199  3.3275  150.735 2.0333 149.915 2.4277 0.8203125      3.166676 
1 1 1 18 2  26 o 103.539 1.4859 107.321  2.1634  103.975 1.9651 103.104 2.2294 0.8704529      2.971856 
1 1 1 18 2  28 o 292.494 2.3794 857.162  9.5252  292.471 2.8381 292.518 3.8199 -0.4782104E-01 4.758797 
1 1 1 18 2  30 o 136.599 1.7030 186.830  3.2855  136.650 2.3363 136.547 2.4783 0.1034698      3.405913 
1 1 1 18 2  32 o 51.994  2.4803 27.162   1.8192  50.579  3.6609 53.409  3.3474 -2.830078      4.960615 
1 1 1 18 2  34 o 76.952  1.8185 59.307   1.9773  75.464  2.5383 78.439  2.6048 -2.975090      3.637064 
1 1 1 18 2  36 o 140.668 1.8425 198.409  3.5846  140.428 2.2734 140.909 2.9001 -0.4809418     3.684936 
1 1 1 18 2  38 o 65.940  2.1853 43.856   1.9702  66.623  2.5876 65.258  3.5224 1.365585       4.370690 
1 1 1 18 2  40 o 40.088  3.7081 17.313   1.7618  43.420  3.2351 36.756  6.6735 6.664330       7.416273 
1 1 1 18 2  42 o 41.490  3.2493 16.984   1.8389  34.403  4.4543 48.577  4.7319 -14.17422      6.498540 
1 1 1 18 2  44 o 46.061  2.9114 22.194   1.8164  48.071  3.3206 44.051  4.7832 4.019989       5.822826 
1 1 1 18 2  46 o 20.567  5.1207 4.4967   1.8841  21.865  6.6828 19.268  7.7605 2.596617       10.24133 
1 1 1 18 2  48 o 32.572  4.5425 12.373   2.0412  35.437  5.5856 29.708  7.1651 5.728910       9.085016 
1 1 1 18 2  50 o 16.033  4.9119 1.2730   1.9933  13.707  6.1263 18.359  7.6795 -4.652081      9.823794 
1 1 1 18 3  1  f 371.757 2.4958 1382.23  13.119  366.734 3.5343 376.779 3.5248 -10.04492      4.991603 
1 1 1 18 3  3  o 284.158 2.0906 807.823  8.3904  282.977 3.0461 285.340 2.8643 -2.362579      4.181245 
1 1 1 18 3  5  o 275.809 2.1784 760.788  8.4801  276.374 3.1882 275.245 2.9693 1.129028       4.356772 
1 1 1 18 3  7  o 448.781 2.9893 2015.84  18.963  441.994 4.3049 455.569 4.1486 -13.57477      5.978555 
1 1 1 18 3  9  o 94.405  1.4280 89.837   1.8701  90.819  2.2498 97.990  1.7593 -7.171417      2.855984 
1 1 1 18 3  11 o 252.891 1.9495 639.541  6.9310  253.430 2.9226 252.353 2.5808 1.076843       3.898972 
1 1 1 18 3  13 o 358.264 2.5396 1286.38  12.715  361.711 3.2480 354.817 3.9050 6.893585       5.079233 
1 1 1 18 3  15 o 262.130 1.9607 687.929  7.2154  263.623 2.5674 260.638 2.9642 2.985168       3.921477 
1 1 1 18 3  17 o 203.107 1.6314 412.978  4.6182  203.915 2.0666 202.299 2.5250 1.615784       3.262890 
1 1 1 18 3  19 o 101.870 1.6235 103.711  2.3091  101.310 2.0798 102.431 2.4934 -1.120377      3.246959 
1 1 1 18 3  21 o 414.873 2.9590 1719.61  17.007  410.410 3.6872 419.336 4.6289 -8.925842      5.917925 
1 1 1 18 3  23 o 177.770 1.5946 316.401  3.9597  178.460 2.0394 177.079 2.4519 1.380798       3.189192 
1 1 1 18 3  25 o 176.041 1.6285 310.625  3.9729  177.341 2.0162 174.741 2.5578 2.600128       3.256930 
1 1 1 18 3  27 o 163.052 1.6075 267.335  3.6378  166.725 1.9914 159.379 2.5239 7.345978       3.214959 
1 1 1 18 3  29 o 55.440  2.1404 31.046   1.6577  58.783  2.7155 52.096  3.3092 6.687733       4.280754 
1 1 1 18 3  31 o 108.140 1.6662 117.509  2.4894  109.807 2.0352 106.473 2.6386 3.334000       3.332319 
1 1 1 18 3  33 o 48.492  2.4817 23.697   1.6866  49.819  3.2041 47.164  3.7906 2.654949       4.963348 
1 1 1 18 3  35 o 68.752  1.9427 47.206   1.8571  67.338  2.4653 70.166  3.0030 -2.827072      3.885329 
1 1 1 18 3  37 o 32.263  3.8394 11.072   1.5775  35.075  3.8228 29.451  6.6595 5.624651       7.678747 
1 1 1 18 3  39 o 37.311  3.5657 13.976   1.8398  35.108  4.5467 39.514  5.4940 -4.405682      7.131368 
1 1 1 18 3  41 o 40.262  3.9339 16.302   2.1180  37.558  4.5901 42.966  6.3901 -5.407955      7.867815 
1 1 1 18 3  43 o 39.560  4.4338 16.654   2.1377  39.165  4.2388 39.955  7.7888 -0.7897530     8.867526 
1 1 1 18 3  45 o 28.504  4.6774 9.2539   1.8429  28.587  6.2046 28.420  7.0012 0.1671562      9.354851 
1 1 1 18 3  47 o 15.025  4.7573 -0.3438  1.9332  13.750  5.9787 16.301  7.4015 -2.551050      9.514550 
1 1 1 18 3  49 o 17.128  4.9647 2.3740   1.9050  17.090  6.6916 17.166  7.3359 -0.7538033E-01 9.929332 
1 1 1 18 3  51 f 16.588  5.0358 1.9228   2.1691  17.242  6.9565 15.934  7.2832 1.307515       10.07167 
1 1 1 18 4  0  o 485.829 4.6403 2361.57  45.078  485.829 4.6403 ?       ?      0.000000       0.000000 
1 1 1 18 4  2  o 406.560 2.8155 1653.37  16.178  407.845 4.0548 405.276 3.9072 2.568481       5.630943 
1 1 1 18 4  4  f 169.623 1.8253 287.712  4.3623  169.267 2.4519 169.979 2.7046 -0.7120056     3.650573 
1 1 1 18 4  6  o 176.208 1.8576 310.543  4.6289  175.157 2.6246 177.258 2.6295 -2.101181      3.715269 
1 1 1 18 4  8  o 687.107 4.2793 4727.93  41.555  683.268 6.1863 690.945 5.9143 -7.676086      8.558548 
1 1 1 18 4  10 o 419.648 2.8589 1760.62  16.609  418.239 3.5418 421.057 4.4886 -2.817993      5.717725 
1 1 1 18 4  12 o 94.505  1.4458 89.318   1.8815  94.473  1.7572 94.537  2.2964 -0.6336975E-01 2.891576 
1 1 1 18 4  14 o 354.135 2.5330 1251.98  12.306  351.291 3.0536 356.978 4.0423 -5.687592      5.066019 
1 1 1 18 4  16 o 38.558  2.3252 14.912   1.2050  38.811  2.6323 38.306  3.8338 0.5049744      4.650455 
1 1 1 18 4  18 o 200.035 1.8550 400.506  5.2163  200.712 2.4495 199.359 2.7864 1.352585       3.710034 
1 1 1 18 4  20 o 427.638 3.3311 1831.70  18.883  427.488 3.6594 427.789 5.5673 -0.3014526     6.662252 
1 1 1 18 4  22 o 140.763 1.4956 197.353  2.9275  137.868 1.8988 143.659 2.3112 -5.790802      2.991173 
1 1 1 18 4  24 o 136.646 1.4421 186.417  2.7478  135.204 1.8418 138.088 2.2195 -2.884354      2.884136 
1 1 1 18 4  26 o 170.805 1.6753 291.364  3.9577  169.382 2.0733 172.228 2.6322 -2.845673      3.350666 
1 1 1 18 4  28 o 119.118 1.7094 140.686  2.7119  116.304 1.9215 121.931 2.8278 -5.626450      3.418824 
1 1 1 18 4  30 o 168.186 1.8386 282.539  4.3549  164.159 2.4893 172.214 2.7066 -8.054993      3.677250 
1 1 1 18 4  32 o 101.358 1.4922 102.839  2.1385  100.573 2.0951 102.144 2.1253 -1.571289      2.984364 
1 1 1 18 4  34 o 149.787 1.6458 224.764  3.4655  149.529 2.1778 150.044 2.4682 -0.5151825     3.291564 
1 1 1 18 4  36 o 83.426  1.5966 69.744   1.8830  84.991  2.2538 81.860  2.2620 3.131233       3.193137 
1 1 1 18 4  38 o 16.192  4.7433 0.8574   1.7308  15.552  6.2282 16.832  7.1559 -1.279346      9.486637 
1 1 1 18 4  40 o 39.109  3.5029 15.669   1.8815  39.470  4.2060 38.748  5.6027 0.7222099      7.005736 
1 1 1 18 4  42 o 47.086  2.8983 22.486   1.8623  46.101  3.4625 48.071  4.6489 -1.970295      5.796658 
1 1 1 18 4  44 o 43.685  3.8541 19.732   2.2227  41.335  4.3252 46.034  6.3803 -4.699783      7.708126 
1 1 1 18 4  46 o 12.834  4.2473 -3.1925  1.9608  13.349  6.0757 12.320  5.9367 1.028475       8.494645 
1 1 1 18 4  48 o 25.101  5.2160 7.7774   1.9608  25.137  6.9040 25.066  7.8205 0.7110786E-01  10.43195 
1 1 1 18 4  50 o 15.283  4.7433 0.8667   1.8841  13.239  5.9066 17.326  7.4233 -4.087117      9.486502 
1 1 1 18 5  1  f 300.317 2.1879 902.186  9.2875  299.901 3.1510 300.733 3.0361 -0.8320007     4.375711 
1 1 1 18 5  3  o 736.572 4.5359 5430.67  47.230  741.699 6.4996 731.445 6.3288 10.25354       9.071805 
1 1 1 18 5  5  o 497.395 3.1906 2475.60  22.443  497.010 4.5093 497.779 4.5151 -0.7693481     6.381209 
1 1 1 18 5  7  o 610.389 3.9596 3738.27  33.514  616.753 4.9072 604.024 6.2157 12.72888       7.919256 
1 1 1 18 5  9  f 259.331 1.9562 673.659  7.0298  260.939 2.4225 257.723 3.0721 3.216064       3.912305 
1 1 1 18 5  11 o 133.953 1.3552 178.981  2.5141  132.454 1.6872 135.452 2.1212 -2.998169      2.710405 
1 1 1 18 5  13 o 377.704 2.5739 1426.57  13.478  376.675 3.2038 378.734 4.0293 -2.058838      5.147735 
1 1 1 18 5  15 f 300.123 2.2307 899.908  9.1945  298.582 2.6945 301.664 3.5559 -3.081909      4.461450 
1 1 1 18 5  17 o 188.387 1.8788 355.664  4.7540  189.267 2.1253 187.507 3.0988 1.759933       3.757579 
1 1 1 18 5  19 o 162.463 1.8207 265.362  4.0290  165.011 2.1282 159.916 2.9546 5.094910       3.641311 
1 1 1 18 5  21 o 167.125 1.6493 279.861  3.8036  168.073 2.0135 166.178 2.6128 1.894806       3.298565 
1 1 1 18 5  23 f 173.053 1.6703 300.020  3.9979  173.968 2.0553 172.137 2.6336 1.830841       3.340688 
1 1 1 18 5  25 o 156.764 1.5632 245.075  3.3900  154.618 1.9409 158.910 2.4510 -4.291870      3.126416 
1 1 1 18 5  27 o 104.348 1.4926 108.840  2.1987  102.669 2.0523 106.027 2.1679 -3.358849      2.985281 
1 1 1 18 5  29 o 80.150  1.6085 63.922   1.7923  77.930  2.0483 82.370  2.4805 -4.439491      3.216940 
1 1 1 18 5  31 o 39.324  2.5831 15.503   1.4359  38.596  3.6395 40.052  3.6666 -1.456062      5.166292 
1 1 1 18 5  33 o 55.778  2.1550 31.080   1.6625  54.829  2.6784 56.728  3.3767 -1.898674      4.309997 
1 1 1 18 5  35 o 22.057  5.0436 4.2035   1.8623  16.121  6.4778 27.992  7.7325 -11.87071      10.08727 
1 1 1 18 5  37 f 62.013  2.4270 38.962   2.0993  64.763  3.0563 59.262  3.7710 5.501011       4.853994 
1 1 1 18 5  39 o 22.428  4.6754 5.0901   1.7251  26.438  5.4958 18.419  7.5654 8.019554       9.350857 
1 1 1 18 5  41 o 67.841  2.3779 46.002   2.0870  66.133  2.5103 69.550  4.0394 -3.417221      4.755886 
1 1 1 18 5  43 o 32.382  4.4650 11.394   1.9052  32.378  4.9301 32.386  7.4458 -0.8777618E-02 8.930078 
1 1 1 18 5  45 o 54.474  2.9391 31.303   2.1654  57.555  3.3282 51.394  4.8452 6.160210       5.878172 
1 1 1 18 5  47 o 21.268  5.2633 4.5953   2.0354  15.985  6.6831 26.550  8.1331 -10.56518      10.52666 
1 1 1 18 5  49 o 35.587  4.7427 15.455   2.2968  35.974  6.4456 35.201  6.9590 0.7727127      9.485404 
1 1 1 18 6  0  o 295.735 3.0882 875.007  18.261  295.735 3.0882 ?       ?      0.000000       0.000000 
1 1 1 18 6  2  o 166.781 2.3511 281.138  4.7094  169.458 2.1100 164.104 4.2021 5.354218       4.702148 
1 1 1 18 6  4  o 99.923  1.3012 99.660   1.7744  99.286  1.5434 100.561 2.0953 -1.274597      2.602406 
1 1 1 18 6  6  o 161.081 2.0880 260.061  4.3894  161.785 2.2101 160.378 3.5433 1.407593       4.176088 
1 1 1 18 6  8  o 404.181 2.8232 1632.52  15.766  402.218 3.4765 406.143 4.4491 -3.924225      5.646303 
1 1 1 18 6  10 o 454.013 3.1138 2065.52  19.254  455.936 3.6551 452.091 5.0420 3.845245       6.227521 
1 1 1 18 6  12 o 302.477 2.2281 916.432  9.3101  303.950 2.7309 301.004 3.5213 2.946106       4.456143 
1 1 1 18 6  14 f 280.417 2.1361 788.240  8.2797  282.664 2.6203 278.170 3.3742 4.494232       4.272146 
1 1 1 18 6  16 o 62.345  1.7681 38.938   1.3857  62.505  1.7366 62.185  3.0803 0.3200417      3.536134 
1 1 1 18 6  18 f 109.560 2.2618 118.404  2.6504  107.728 1.7188 111.393 4.1844 -3.664551      4.523645 
1 1 1 18 6  20 o 166.202 1.6741 275.498  3.7902  164.545 1.9790 167.858 2.7007 -3.313232      3.348194 
1 1 1 18 6  22 f 229.337 1.8940 524.957  5.9759  227.160 2.3049 231.513 3.0062 -4.352646      3.788077 
1 1 1 18 6  24 o 210.245 1.8250 441.491  5.3121  208.489 2.2663 212.001 2.8612 -3.511475      3.650002 
1 1 1 18 6  26 o 164.975 1.6148 271.848  3.6564  163.871 1.9482 166.080 2.5759 -2.209427      3.229626 
1 1 1 18 6  28 o 196.702 1.7845 386.802  4.9021  195.039 2.2916 198.366 2.7360 -3.327332      3.568914 
1 1 1 18 6  30 o 40.052  2.7432 16.090   1.4898  40.072  3.1868 40.033  4.4659 0.3920746E-01  5.486320 
1 1 1 18 6  32 o 81.124  1.8793 66.111   2.1156  82.046  2.3347 80.201  2.9457 1.845604       3.758695 
1 1 1 18 6  34 o 39.009  2.9120 15.365   1.5860  39.685  3.7006 38.333  4.4973 1.351273       5.824093 
1 1 1 18 6  36 o 28.245  4.1562 8.3907   1.6226  31.185  4.9139 25.304  6.7044 5.881401       8.312399 
1 1 1 18 6  38 o 27.198  4.6986 8.0340   1.7923  29.737  5.5738 24.659  7.5656 5.078234       9.397126 
1 1 1 18 6  40 o 83.690  1.9845 71.108   2.2348  85.550  2.2391 81.830  3.2772 3.720169       3.969038 
1 1 1 18 6  42 o 65.095  2.3294 43.016   2.1271  64.974  3.0464 65.215  3.5247 -0.2414322     4.658726 
1 1 1 18 6  44 o 24.077  5.4404 6.4572   1.9988  24.505  6.2362 23.650  8.9164 0.8551998      10.88083 
1 1 1 18 6  46 o 15.033  4.8424 -1.5270  2.2555  16.160  7.2441 13.906  6.4278 2.253996       9.684728 
1 1 1 18 6  48 o 34.449  4.2059 13.561   1.9608  35.518  5.0335 33.381  6.7396 2.137421       8.411802 
1 1 1 18 6  50 o 20.269  5.7258 5.0229   2.2135  18.051  6.7833 22.487  9.2265 -4.436207      11.45170 
1 1 1 18 7  1  o 82.921  2.7455 66.813   1.6675  81.015  1.2610 84.827  5.3443 -3.811325      5.491044 
1 1 1 18 7  3  o 398.661 3.0689 1589.58  17.295  392.284 4.3133 405.038 4.3667 -12.75388      6.137768 
1 1 1 18 7  5  o 297.077 2.2413 882.256  9.3126  295.936 2.8912 298.218 3.4257 -2.281982      4.482662 
1 1 1 18 7  7  o 618.524 3.9835 3811.00  33.992  606.796 4.9140 630.252 6.2710 -23.45587      7.967042 
1 1 1 18 7  9  o 434.124 2.9694 1882.91  17.690  431.696 3.5793 436.551 4.7389 -4.855438      5.938716 
1 1 1 18 7  11 o 161.198 1.5572 260.626  3.4549  162.886 1.8816 159.510 2.4818 3.375778       3.114424 
1 1 1 18 7  13 o 166.063 1.4842 275.834  3.3723  166.069 1.7686 166.058 2.3839 0.1109314E-01  2.968366 
1 1 1 18 7  15 o 257.205 2.2744 664.211  8.0287  260.366 2.7221 254.043 3.6444 6.323502       4.548771 
1 1 1 18 7  17 o 322.745 2.6961 1041.64  11.852  321.673 3.1759 323.817 4.3577 -2.143890      5.392214 
1 1 1 18 7  19 o 189.443 1.6923 358.389  4.4197  188.074 2.0709 190.812 2.6770 -2.737320      3.384533 
1 1 1 18 7  21 o 186.453 1.7159 347.667  4.4505  185.985 2.1629 186.920 2.6644 -0.9352264     3.431770 
1 1 1 18 7  23 o 200.452 1.8654 402.524  5.1415  201.206 2.2531 199.699 2.9735 1.506393       3.730727 
1 1 1 18 7  25 o 157.545 1.5877 248.183  3.4549  157.072 1.9512 158.018 2.5052 -0.9453888     3.175452 
1 1 1 18 7  27 o 174.314 1.7054 303.195  4.1118  172.013 2.1158 176.615 2.6753 -4.601837      3.410838 
1 1 1 18 7  29 o 115.733 1.6254 133.414  2.6033  113.351 2.0279 118.117 2.5407 -4.765923      3.250754 
1 1 1 18 7  31 o 102.191 1.5812 104.152  2.2123  100.837 1.8996 103.546 2.5282 -2.708389      3.162347 
1 1 1 18 7  33 o 62.707  2.0020 39.757   1.7553  67.344  2.5600 58.071  3.0787 9.272514       4.003941 
1 1 1 18 7  35 o 78.342  1.9735 61.790   2.1540  79.631  2.4857 77.054  3.0660 2.576561       3.947006 
1 1 1 18 7  37 o 54.358  2.2421 29.693   1.7216  52.843  3.1416 55.872  3.1998 -3.029041      4.484243 
1 1 1 18 7  39 o 38.999  3.1727 15.634   1.7145  41.095  3.8843 36.903  5.0177 4.192314       6.345481 
1 1 1 18 7  41 o 82.918  2.3172 68.712   2.3547  81.321  2.1985 84.515  4.0797 -3.193626      4.634305 
1 1 1 18 7  43 o 28.548  5.0472 9.2612   2.1347  22.090  7.6162 35.005  6.6251 -12.91468      10.09445 
1 1 1 18 7  45 o 24.389  5.1298 6.7958   1.8112  23.445  6.1769 25.334  8.1917 -1.888458      10.25954 
1 1 1 18 7  47 f 20.057  5.0584 4.3738   1.8623  21.587  6.7002 18.526  7.5800 3.061218       10.11676 
1 1 1 18 7  49 o 20.918  5.3896 5.5599   2.0746  21.351  7.5908 20.486  7.6532 0.8654251      10.77925 
1 1 1 18 8  0  o 89.730  4.2905 81.090   7.6621  89.730  4.2905 ?       ?      0.000000       0.000000 
1 1 1 18 8  2  o 525.057 4.1398 2765.37  28.752  527.586 4.5142 522.527 6.9407 5.059143       8.279566 
1 1 1 18 8  4  o 184.650 2.3373 341.641  5.5250  185.254 2.3782 184.045 4.0244 1.209351       4.674535 
1 1 1 18 8  6  o 256.683 2.5944 659.779  7.9740  257.069 2.3348 256.297 4.6338 0.7723694      5.188721 
1 1 1 18 8  8  o 461.013 3.6776 2150.68  21.976  471.688 3.8038 450.338 6.2952 21.34933       7.355140 
1 1 1 18 8  10 o 313.819 2.3683 985.428  10.395  313.996 3.0502 313.642 3.6237 0.3533936      4.736547 
1 1 1 18 8  12 o 329.222 2.3017 1085.75  10.485  330.863 2.8368 327.582 3.6254 3.280975       4.603392 
1 1 1 18 8  14 o 150.955 1.7209 225.602  3.4016  147.541 1.8609 154.368 2.8954 -6.826950      3.441814 
1 1 1 18 8  16 o 49.778  2.3215 25.415   1.4020  51.777  2.0964 47.780  4.1427 3.996864       4.642911 
1 1 1 18 8  18 o 154.086 1.5035 237.163  3.1103  153.476 1.7057 154.696 2.4765 -1.220749      3.007067 
1 1 1 18 8  20 o 381.973 2.7266 1460.39  14.295  381.236 3.2827 382.710 4.3545 -1.474274      5.453190 
1 1 1 18 8  22 o 92.329  1.8450 83.123   2.1537  88.026  1.8859 96.632  3.1716 -8.606247      3.690001 
1 1 1 18 8  24 o 91.247  1.5919 83.109   2.0113  90.310  1.9796 92.184  2.4935 -1.874084      3.183808 
1 1 1 18 8  26 o 86.401  1.3947 74.587   1.6625  85.891  1.7098 86.911  2.2040 -1.019325      2.789441 
1 1 1 18 8  28 o 212.494 1.9076 450.569  5.5421  209.931 2.2811 215.056 3.0581 -5.125015      3.815152 
1 1 1 18 8  30 o 131.787 1.5871 173.074  2.8691  129.679 1.9203 133.896 2.5274 -4.217300      3.174128 
1 1 1 18 8  32 o 56.454  2.0901 31.743   1.6208  55.067  2.5509 57.842  3.3117 -2.774822      4.180216 
1 1 1 18 8  34 o 134.537 1.7135 180.355  3.2113  130.474 2.2022 138.600 2.6259 -8.126282      3.427084 
1 1 1 18 8  36 o 86.664  1.6148 75.113   1.9711  84.616  2.1883 88.712  2.3752 -4.096909      3.229577 
1 1 1 18 8  38 o 20.823  4.9913 4.1561   1.7274  18.867  6.5870 22.779  7.5010 -3.912731      9.982661 
1 1 1 18 8  40 f 21.532  4.9599 4.7667   1.7507  20.399  7.2289 22.665  6.7929 -2.265219      9.919730 
1 1 1 18 8  42 o 59.434  3.1076 35.860   2.4437  56.867  3.4807 62.000  5.1492 -5.132603      6.215275 
1 1 1 18 8  44 o 40.957  4.4421 18.927   2.2779  44.532  4.3014 37.381  7.7735 7.151077       8.884239 
1 1 1 18 8  46 o 19.303  5.1562 2.9087   2.1213  21.748  6.8495 16.857  7.7090 4.890882       10.31239 
1 1 1 18 8  48 o 14.225  4.6352 -1.2408  2.0318  13.007  5.9027 15.443  7.1484 -2.436274      9.270443 
1 1 1 18 8  50 o 18.218  5.8231 2.6843   2.5170  15.392  6.5049 21.044  9.6603 -5.652497      11.64625 
1 1 1 18 9  1  o 262.641 3.3019 690.291  12.247  262.283 4.5280 262.999 4.8070 -0.7162781     6.603806 
1 1 1 18 9  3  o 500.756 4.0762 2517.42  27.174  504.258 4.5078 497.255 6.7927 7.003662       8.152321 
1 1 1 18 9  5  o 362.511 3.2445 1319.58  15.585  365.476 3.5465 359.547 5.4341 5.928955       6.489029 
1 1 1 18 9  7  o 529.436 3.9690 2812.59  25.875  531.442 3.7485 527.430 6.9972 4.012329       7.938078 
1 1 1 18 9  9  o 251.138 2.4925 624.801  7.8842  246.666 2.4850 255.611 4.3215 -8.944595      4.985006 
1 1 1 18 9  11 o 316.735 2.8316 994.911  10.492  312.709 2.4706 320.760 5.0959 -8.050568      5.663266 
1 1 1 18 9  13 o 242.478 3.2556 600.879  8.5700  248.692 2.4648 236.263 6.0266 12.42924       6.511147 
1 1 1 18 9  15 o 210.746 2.0994 445.912  5.9141  212.604 2.3425 208.889 3.4846 3.715561       4.198811 
1 1 1 18 9  17 o 277.895 2.1751 771.675  8.2577  276.493 2.5864 279.296 3.4978 -2.802979      4.350157 
1 1 1 18 9  19 o 253.149 2.0520 639.735  7.0106  251.322 2.3627 254.977 3.3556 -3.655136      4.103963 
1 1 1 18 9  21 o 113.362 1.5154 127.880  2.2986  111.795 1.7134 114.928 2.5001 -3.133270      3.030853 
1 1 1 18 9  23 o 209.996 1.8963 440.947  5.3899  209.405 2.1954 210.586 3.0927 -1.180725      3.792669 
1 1 1 18 9  25 o 128.866 1.4986 164.584  2.6291  125.042 1.7872 132.690 2.4060 -7.648109      2.997160 
1 1 1 18 9  27 o 95.330  1.5821 90.581   2.0374  94.175  1.8306 96.484  2.5809 -2.308983      3.164188 
1 1 1 18 9  29 o 52.655  2.0301 27.822   1.4835  53.089  2.5257 52.221  3.1790 0.8677101      4.060170 
1 1 1 18 9  31 o 57.379  2.0472 33.008   1.6577  57.329  2.7844 57.428  3.0019 -0.9956741E-01 4.094439 
1 1 1 18 9  33 o 39.141  3.0644 15.334   1.6625  38.039  3.8607 40.243  4.7599 -2.204475      6.128735 
1 1 1 18 9  35 o 78.565  1.8840 62.100   2.0511  79.568  2.3272 77.563  2.9636 2.004707       3.768067 
1 1 1 18 9  37 f 33.306  3.6528 11.195   1.7027  31.079  4.9307 35.533  5.3907 -4.454203      7.305581 
1 1 1 18 9  39 o 68.148  2.8296 47.138   2.6832  67.935  3.5715 68.362  4.3898 -0.4275055     5.659194 
1 1 1 18 9  41 o 20.190  5.7500 2.4924   2.0344  18.464  6.1737 21.917  9.7024 -3.452431      11.50006 
1 1 1 18 9  43 o 18.239  5.3088 2.0507   1.9831  15.168  6.2532 21.310  8.5808 -6.141892      10.61760 
1 1 1 18 9  45 o 23.259  5.4418 6.1758   2.0840  24.851  6.3890 21.668  8.8110 3.183279       10.88359 
1 1 1 18 9  47 o 24.944  4.9794 6.8903   2.2653  31.619  4.8465 18.268  8.6999 13.35089       9.958770 
1 1 1 18 9  49 o 48.325  4.0688 27.184   2.6921  48.837  4.8374 47.812  6.5437 1.025078       8.137613 
1 1 1 18 10 0  f 329.599 4.9424 1087.63  32.564  329.599 4.9424 ?       ?      0.000000       0.000000 
1 1 1 18 10 2  o 258.203 3.1933 664.792  11.557  252.165 4.2033 264.242 4.8086 -12.07780      6.386685 
1 1 1 18 10 4  o 158.235 2.3906 248.214  4.4238  156.202 2.0847 160.267 4.3027 -4.065430      4.781151 
1 1 1 18 10 6  o 98.789  1.8099 98.223   1.8446  99.479  1.2837 98.100  3.3845 1.379364       3.619809 
1 1 1 18 10 8  o 362.308 3.0934 1319.12  13.491  364.620 2.8018 359.996 5.5160 4.624512       6.186834 
1 1 1 18 10 10 o 275.605 2.5777 759.287  8.3991  275.215 2.2736 275.995 4.6269 -0.7800903     5.155362 
1 1 1 18 10 12 o 206.027 2.7142 437.558  6.1092  213.697 2.0617 198.357 5.0216 15.34012       5.428341 
1 1 1 18 10 14 o 207.579 3.0490 433.630  6.2209  208.767 2.0186 206.392 5.7542 2.375687       6.097990 
1 1 1 18 10 16 o 273.499 2.5874 746.356  8.3414  272.255 2.2749 274.742 4.6480 -2.487274      5.174871 
1 1 1 18 10 18 o 182.364 3.0891 328.122  5.0166  179.892 1.8102 184.835 5.9071 -4.942886      6.178255 
1 1 1 18 10 20 o 185.227 1.8789 339.691  4.3230  181.903 1.8253 188.550 3.2848 -6.646545      3.757864 
1 1 1 18 10 22 o 111.535 1.8438 124.508  2.4115  111.565 1.6025 111.505 3.3212 0.5995941E-01  3.687604 
1 1 1 18 10 24 o 66.403  2.3476 42.764   1.7801  63.606  2.0077 69.201  4.2443 -5.595161      4.695229 
1 1 1 18 10 26 o 178.536 2.0973 317.204  4.8566  176.143 2.2112 180.928 3.5643 -4.785889      4.194510 
1 1 1 18 10 28 o 166.199 2.0261 273.233  4.3453  162.079 2.1273 170.318 3.4490 -8.238708      4.052269 
1 1 1 18 10 30 o 98.399  2.0152 95.315   2.3397  95.910  1.7975 100.888 3.6075 -4.977455      4.030465 
1 1 1 18 10 32 o 94.464  2.0451 88.217   2.4094  92.151  2.0094 96.778  3.5627 -4.627510      4.090297 
1 1 1 18 10 34 o 36.144  3.7469 13.933   1.7089  39.827  3.6873 32.461  6.5240 7.366722       7.493900 
1 1 1 18 10 36 o 92.450  2.2817 86.381   2.8691  93.649  2.6590 91.250  3.7086 2.398895       4.563332 
1 1 1 18 10 38 o 47.934  3.0055 23.132   1.9256  46.893  3.4041 48.975  4.9542 -2.082409      6.010955 
1 1 1 18 10 40 o 39.903  3.6295 16.048   1.9454  37.391  4.2691 42.414  5.8711 -5.023041      7.259095 
1 1 1 18 10 42 o 21.146  5.8527 3.8183   2.2412  18.644  6.8208 23.648  9.5128 -5.004269      11.70546 
1 1 1 18 10 44 o 17.637  5.2663 -0.2210  2.4019  18.901  6.9472 16.372  7.9165 2.528517       10.53256 
1 1 1 18 10 46 o 17.755  5.2878 1.3662   2.3091  14.392  6.5628 21.118  8.2928 -6.725750      10.57550 
1 1 1 18 10 48 o 17.056  5.0332 2.4831   1.7432  14.739  5.8397 19.373  8.1993 -4.634635      10.06633 
1 1 1 18 11 1  o 382.896 4.0200 1466.24  21.731  374.900 5.5522 390.891 5.8151 -15.99127      8.040063 
1 1 1 18 11 3  o 348.689 3.8586 1216.64  19.002  352.992 5.5893 344.385 5.3211 8.606445       7.717150 
1 1 1 18 11 5  f 249.719 2.4604 629.791  8.2598  256.275 2.7655 243.162 4.0701 13.11345       4.920728 
1 1 1 18 11 7  o 145.548 1.9815 214.240  3.4054  147.891 1.7270 143.205 3.5669 4.685623       3.963005 
1 1 1 18 11 9  o 262.400 2.4252 689.710  7.8631  262.899 2.3073 261.902 4.2664 0.9975281      4.850347 
1 1 1 18 11 11 o 303.788 2.7656 939.779  10.015  311.819 2.4367 295.756 4.9654 16.06311       5.531120 
1 1 1 18 11 13 o 146.587 2.2333 214.142  3.4105  145.932 1.6189 147.242 4.1630 -1.310165      4.466654 
1 1 1 18 11 15 o 144.529 1.5539 209.368  3.0453  145.356 1.8010 143.702 2.5326 1.654068       3.107719 
1 1 1 18 11 17 f 85.710  2.2069 74.427   2.1693  87.152  1.8316 84.268  4.0159 2.884750       4.413817 
1 1 1 18 11 19 o 91.062  1.4423 83.631   1.7744  93.242  1.6435 88.883  2.3706 4.358971       2.884582 
1 1 1 18 11 21 o 80.277  1.6443 64.401   1.8164  79.887  1.9982 80.667  2.6120 -0.7806244     3.288685 
1 1 1 18 11 23 o 108.417 2.1804 116.146  3.0946  105.301 2.3648 111.533 3.6639 -6.232025      4.360767 
1 1 1 18 11 25 o 82.523  1.7990 68.334   2.0354  83.157  2.1499 81.890  2.8849 1.266685       3.597919 
1 1 1 18 11 27 o 130.831 1.6119 170.906  2.9275  129.335 2.0241 132.328 2.5091 -2.993073      3.223740 
1 1 1 18 11 29 o 48.121  2.6069 23.290   1.7274  48.541  3.1569 47.702  4.1495 0.8393517      5.213847 
1 1 1 18 11 31 o 136.839 2.1775 188.608  4.1527  134.046 3.3820 139.631 2.7437 -5.585114      4.354921 
1 1 1 18 11 33 o 105.107 2.2971 110.737  3.3070  105.971 3.6754 104.243 2.7563 1.727974       4.594107 
1 1 1 18 11 35 o 35.066  4.7129 12.903   2.2447  33.659  7.5806 36.473  5.6019 -2.814678      9.425867 
1 1 1 18 11 37 o 28.584  5.2539 8.5992   2.1240  32.884  7.7002 24.285  7.1499 8.599234       10.50782 
1 1 1 18 11 39 o 36.559  4.4288 13.901   2.1892  29.649  6.6285 43.469  5.8755 -13.81974      8.857697 
1 1 1 18 11 41 o 17.819  4.9889 2.3074   1.7438  15.303  6.1053 20.334  7.8918 -5.030716      9.977770 
1 1 1 18 11 43 o 27.504  5.2456 8.8114   2.0708  31.308  4.8946 23.700  9.2795 7.608292       10.49124 
1 1 1 18 11 45 o 18.349  5.1974 2.1965   2.0364  18.976  6.4610 17.722  8.1430 1.253271       10.39485 
1 1 1 18 11 47 o 17.019  5.5175 0.1805   2.3779  12.822  5.8815 21.215  9.3370 -8.392220      11.03502 
1 1 1 18 11 49 o 19.278  5.7294 4.1768   2.1678  16.132  6.3954 22.423  9.5081 -6.291580      11.45881 
1 1 1 18 12 0  o 11.401  7.9302 -4.8526  6.1296  11.401  7.9302 ?       ?      0.000000       0.000000 
1 1 1 18 12 2  o 197.527 2.3616 385.902  5.5177  194.234 2.1039 200.820 4.2287 -6.585754      4.723169 
1 1 1 18 12 4  o 122.540 1.8491 147.726  2.6804  119.584 1.6552 125.495 3.3071 -5.910904      3.698211 
1 1 1 18 12 6  o 159.192 2.0895 253.277  4.4687  158.745 2.3731 159.639 3.4397 -0.8939667     4.178903 
1 1 1 18 12 8  o 122.889 3.0639 147.068  4.4957  117.897 2.8162 127.881 5.4423 -9.984245      6.127788 
1 1 1 18 12 10 o 162.122 2.4722 262.826  5.3172  161.795 2.7230 162.448 4.1270 -0.6531219     4.944402 
1 1 1 18 12 12 o 313.407 2.8883 983.050  12.796  307.121 4.0748 319.693 4.0943 -12.57193      5.776503 
1 1 1 18 12 14 o 158.267 1.9153 251.021  4.2742  155.299 2.8369 161.236 2.5740 -5.936798      3.830632 
1 1 1 18 12 16 o 63.745  2.1433 40.664   1.8815  63.787  3.4034 63.703  2.6060 0.8425522E-01  4.286541 
1 1 1 18 12 18 o 129.253 1.6610 167.295  3.0326  126.659 2.4197 131.847 2.2761 -5.188492      3.322021 
1 1 1 18 12 20 o 103.763 2.0249 107.804  2.9660  103.391 2.9643 104.136 2.7592 -0.7452469     4.049704 
1 1 1 18 12 22 o 115.737 1.7545 133.626  2.8605  119.537 2.5639 111.938 2.3957 7.599739       3.509005 
1 1 1 18 12 24 o 83.462  2.0581 69.632   2.4112  84.636  3.0931 82.287  2.7158 2.349709       4.116167 
1 1 1 18 12 26 o 99.673  2.1129 99.376   2.9412  100.520 3.2395 98.827  2.7136 1.693474       4.225863 
1 1 1 18 12 28 o 56.413  2.7695 32.267   2.1409  54.294  4.4688 58.531  3.2726 -4.237247      5.539003 
1 1 1 18 12 30 o 96.693  1.8938 92.941   2.5383  93.227  2.3971 100.159 2.9325 -6.932167      3.787545 
1 1 1 18 12 32 o 60.236  2.2745 36.363   1.8623  59.805  2.6691 60.666  3.6837 -0.8606262     4.549054 
1 1 1 18 12 34 o 31.328  3.8529 10.152   1.6601  29.144  5.9022 33.511  4.9540 -4.366190      7.705729 
1 1 1 18 12 36 o 52.557  2.7827 28.134   2.0253  54.313  3.4092 50.801  4.3991 3.512344       5.565469 
1 1 1 18 12 38 o 22.554  4.9909 5.1521   1.8495  26.500  7.0881 18.609  7.0282 7.891106       9.981775 
1 1 1 18 12 40 o 25.202  5.0504 7.0712   1.8701  24.906  6.7526 25.498  7.5117 -0.5916710     10.10071 
1 1 1 18 12 42 o 21.998  4.9251 5.4273   1.7240  22.974  6.9297 21.022  7.0004 1.952261       9.850190 
1 1 1 18 12 44 o 19.652  6.1100 1.8808   2.6036  16.693  6.7964 22.612  10.156 -5.919209      12.21992 
1 1 1 18 12 46 o 29.119  6.1483 10.407   2.2565  28.372  5.6005 29.867  10.947 -1.494770      12.29654 
1 1 1 18 12 48 f 19.755  5.6730 4.4380   2.3384  16.504  6.9101 23.005  8.9990 -6.500801      11.34596 
1 1 1 18 13 1  o 267.967 2.4911 724.054  8.6444  272.286 2.5795 263.648 4.2624 8.638153       4.982122 
1 1 1 18 13 3  o 146.029 2.0105 205.898  3.5897  137.832 1.9456 154.226 3.5190 -16.39455      4.021096 
1 1 1 18 13 5  o 168.855 3.2034 268.505  5.7057  157.245 2.4769 180.466 5.9086 -23.22076      6.406793 
1 1 1 18 13 7  o 104.529 1.2592 109.721  1.8495  108.439 1.6487 100.619 1.9037 7.820313       2.518400 
1 1 1 18 13 9  o 202.576 2.1621 410.624  6.1928  205.584 3.0437 199.567 3.0715 6.017227       4.324116 
1 1 1 18 13 11 f 247.734 2.1104 611.672  7.1823  244.165 2.5628 251.303 3.3538 -7.137512      4.220884 
1 1 1 18 13 13 o 264.970 2.1491 701.763  7.8158  263.727 2.5906 266.214 3.4298 -2.487305      4.298201 
1 1 1 18 13 15 o 204.406 1.8762 415.159  5.1688  200.420 2.1664 208.393 3.0640 -7.972763      3.752460 
1 1 1 18 13 17 o 142.387 1.5208 202.278  2.9573  141.119 1.8098 143.654 2.4446 -2.534973      3.041642 
1 1 1 18 13 19 o 186.292 1.8194 341.105  4.5235  177.912 2.0816 194.673 2.9847 -16.76091      3.638861 
1 1 1 18 13 21 o 251.221 2.1354 628.866  7.3590  247.025 2.5848 255.416 3.3998 -8.391098      4.270803 
1 1 1 18 13 23 o 146.820 1.6299 215.622  3.3793  145.086 2.2444 148.554 2.3640 -3.467621      3.259742 
1 1 1 18 13 25 o 53.684  2.4044 28.959   1.8192  55.529  3.2196 51.838  3.5720 3.691734       4.808864 
1 1 1 18 13 27 o 89.743  2.0393 80.612   2.5761  90.585  3.0309 88.900  2.7293 1.685341       4.078641 
1 1 1 18 13 29 o 101.487 1.6904 103.134  2.4246  99.385  2.3771 103.589 2.4039 -4.204628      3.380717 
1 1 1 18 13 31 o 53.053  2.6370 27.888   1.9279  50.036  3.3178 56.070  4.0996 -6.033508      5.273934 
1 1 1 18 13 33 o 49.051  2.4917 24.195   1.7145  49.007  3.2572 49.096  3.7715 -0.8843231E-01 4.983367 
1 1 1 18 13 35 o 29.513  4.5599 9.2781   1.8429  28.530  6.2153 30.495  6.6740 -1.964903      9.119885 
1 1 1 18 13 37 o 38.412  2.8254 15.005   1.5324  39.659  3.8640 37.166  4.1232 2.493359       5.650753 
1 1 1 18 13 39 o 62.810  2.2654 39.997   2.0108  60.943  3.2479 64.677  3.1591 -3.733574      4.530879 
1 1 1 18 13 41 o 28.112  5.1634 9.0157   2.0354  27.071  6.6445 29.153  7.9052 -2.081753      10.32672 
1 1 1 18 13 43 o 33.486  4.4001 12.828   1.9279  36.041  4.6062 30.931  7.4986 5.109898       8.800295 
1 1 1 18 13 45 o 35.084  4.6033 14.219   2.1654  32.789  6.0703 37.379  6.9221 -4.590744      9.206697 
1 1 1 18 13 47 o 15.585  4.8495 0.8939   2.0157  14.703  6.3663 16.468  7.3170 -1.765042      9.698906 
1 1 1 18 14 0  o 560.366 5.5731 3144.38  62.446  560.366 5.5731 ?       ?      0.000000       0.000000 
1 1 1 18 14 2  o 575.351 4.3988 3307.85  34.398  569.558 5.1680 581.144 7.1196 -11.58600      8.797572 
1 1 1 18 14 4  o 377.775 2.7818 1424.54  14.730  370.781 3.6508 384.769 4.1984 -13.98813      5.563686 
1 1 1 18 14 6  o 287.400 2.5510 823.469  9.4418  285.136 2.6424 289.665 4.3645 -4.529175      5.102051 
1 1 1 18 14 8  o 208.447 2.7450 430.533  7.5031  203.712 2.9776 213.183 4.6125 -9.471237      5.490084 
1 1 1 18 14 10 o 136.914 1.4840 187.650  2.7807  137.225 1.7681 136.603 2.3838 0.6216583      2.967980 
1 1 1 18 14 12 o 146.016 1.6252 213.098  3.2416  145.525 1.9305 146.507 2.6149 -0.9819489     3.250349 
1 1 1 18 14 14 o 141.107 1.5642 199.008  3.0411  140.573 1.9077 141.641 2.4794 -1.067520      3.128344 
1 1 1 18 14 16 o 231.790 1.9211 538.828  6.2046  234.340 2.4250 229.239 2.9803 5.101532       3.842221 
1 1 1 18 14 18 o 303.073 2.4513 919.867  10.496  302.538 3.3768 303.608 3.5542 -1.069916      4.902523 
1 1 1 18 14 20 o 246.408 2.0719 605.776  7.1586  240.786 2.7313 252.030 3.1161 -11.24406      4.143712 
1 1 1 18 14 22 o 214.360 1.8714 459.286  5.5857  212.470 2.3741 216.250 2.8936 -3.779877      3.742853 
1 1 1 18 14 24 o 124.387 1.5905 155.192  2.7478  125.530 1.9837 123.244 2.4868 2.286217       3.181092 
1 1 1 18 14 26 o 78.591  1.6353 61.456   1.8057  74.659  2.2236 82.523  2.3986 -7.863228      3.270694 
1 1 1 18 14 28 o 97.349  1.8339 94.088   2.4732  93.511  2.3216 101.188 2.8395 -7.677460      3.667789 
1 1 1 18 14 30 o 50.057  2.4355 25.148   1.7216  48.089  3.4522 52.025  3.4365 -3.935711      4.871018 
1 1 1 18 14 32 o 69.283  2.0530 48.176   2.0108  70.707  2.8897 67.859  2.9169 2.848427       4.105921 
1 1 1 18 14 34 o 55.355  2.7646 31.222   2.1271  57.706  3.4301 53.003  4.3368 4.703682       5.529290 
1 1 1 18 14 36 o 25.477  4.8461 6.9962   1.7855  26.814  6.8738 24.141  6.8331 2.672903       9.692293 
1 1 1 18 14 38 o 31.963  4.2146 10.868   1.8318  32.605  5.0915 31.320  6.7176 1.285521       8.429122 
1 1 1 18 14 40 o 30.589  4.8801 10.688   2.0587  34.080  5.2459 27.097  8.2306 6.982885       9.760244 
1 1 1 18 14 42 o 31.533  4.9258 11.487   2.1385  30.997  6.9676 32.069  6.9646 -1.072330      9.851513 
1 1 1 18 14 44 o 14.882  4.5405 0.0736   1.7921  15.661  6.2443 14.103  6.5933 1.557919       9.080918 
1 1 1 18 14 46 o 36.930  4.8820 15.586   2.1560  33.863  4.7139 39.997  8.5508 -6.133770      9.764026 
1 1 1 18 15 1  o 144.815 1.7018 209.698  3.4655  144.202 2.2582 145.428 2.5465 -1.226105      3.403555 
1 1 1 18 15 3  o 444.049 3.6594 1986.40  21.995  451.177 4.2031 436.921 5.9916 14.25601       7.318876 
1 1 1 18 15 5  o 358.056 2.8521 1283.18  14.011  357.535 3.4288 358.576 4.5585 -1.041290      5.704109 
1 1 1 18 15 7  o 305.044 2.4196 928.859  10.097  302.204 2.8946 307.885 3.8781 -5.680634      4.839222 
1 1 1 18 15 9  o 157.083 1.7852 248.537  3.9058  162.781 2.2358 151.385 2.7837 11.39561       3.570427 
1 1 1 18 15 11 o 89.994  1.3604 80.863   1.7027  89.181  1.7183 90.806  2.1095 -1.624260      2.720737 
1 1 1 18 15 13 o 98.846  1.5771 97.741   2.1987  98.687  2.1351 99.006  2.3217 -0.3186646     3.154200 
1 1 1 18 15 15 o 179.418 1.9030 321.827  4.7951  178.041 2.5104 180.795 2.8606 -2.754684      3.805956 
1 1 1 18 15 17 o 47.245  2.1219 22.348   1.3786  47.253  2.5674 47.238  3.3792 0.1500702E-01  4.243874 
1 1 1 18 15 19 o 66.822  1.6216 44.642   1.5297  67.775  2.3552 65.868  2.2295 1.906723       3.243145 
1 1 1 18 15 21 f 165.061 1.5766 271.584  3.6245  161.734 2.0134 168.389 2.4268 -6.655624      3.153270 
1 1 1 18 15 23 o 157.111 1.7198 247.525  3.7666  158.368 2.1772 155.853 2.6629 2.515411       3.439662 
1 1 1 18 15 25 o 186.579 1.9275 345.494  4.9699  179.764 2.4153 193.393 3.0044 -13.62906      3.854910 
1 1 1 18 15 27 o 81.642  1.9108 66.895   2.2024  79.801  2.8004 83.483  2.6004 -3.681564      3.821587 
1 1 1 18 15 29 o 35.304  4.0809 12.952   1.9427  29.295  6.4927 41.313  4.9456 -12.01887      8.161781 
1 1 1 18 15 31 o 41.927  4.7078 17.834   2.0820  41.401  3.5472 42.454  8.7218 -1.052933      9.415515 
1 1 1 18 15 33 o 17.436  4.9411 1.6337   1.8429  16.519  6.6928 18.354  7.2709 -1.835314      9.882275 
1 1 1 18 15 35 o 15.812  4.5731 -0.0639  1.7878  19.241  7.0745 12.383  5.7968 6.857982       9.146120 
1 1 1 18 15 37 o 54.349  2.5843 29.713   1.9279  56.261  4.0856 52.438  3.1659 3.823433       5.168676 
1 1 1 18 15 39 o 21.664  4.9628 5.0715   1.7787  19.722  7.3111 23.606  6.7130 -3.883745      9.925514 
1 1 1 18 15 41 o 15.716  4.7421 0.2261   1.9344  17.072  6.8572 14.359  6.5519 2.712430       9.484166 
1 1 1 18 15 43 o 44.483  3.4004 21.187   2.1385  43.669  4.8251 45.297  4.7926 -1.628250      6.800803 
1 1 1 18 15 45 o 21.509  5.5883 5.6115   2.2275  21.295  7.6947 21.723  8.1061 -0.4275818     11.17665 
1 1 1 18 15 47 o 22.489  5.3466 6.9587   2.0108  22.545  7.6210 22.434  7.5010 0.1107235      10.69323 
1 1 1 18 16 0  f 75.823  1.7706 57.593   2.6817  75.823  1.7706 ?       ?      0.000000       0.000000 
1 1 1 18 16 2  o 237.581 1.9769 564.969  6.6398  235.738 2.8440 239.423 2.7468 -3.685211      3.953894 
1 1 1 18 16 4  o 190.479 2.0240 362.732  5.3664  189.540 2.5602 191.419 3.1355 -1.879333      4.047976 
1 1 1 18 16 6  o 296.457 2.5979 882.362  10.743  300.669 3.2916 292.244 4.0201 8.425385       5.195744 
1 1 1 18 16 8  o 168.489 1.7606 283.947  4.1527  168.062 2.2795 168.916 2.6838 -0.8535309     3.521230 
1 1 1 18 16 10 o 122.440 1.4439 149.795  2.4640  121.689 1.8365 123.191 2.2287 -1.501793      2.887856 
1 1 1 18 16 12 o 405.511 2.9583 1650.49  16.512  408.486 3.5795 402.536 4.7110 5.950287       5.916637 
1 1 1 18 16 14 o 236.339 1.9925 556.222  6.4406  232.336 2.3909 240.343 3.1880 -8.006500      3.984934 
1 1 1 18 16 16 o 103.380 1.4633 106.844  2.1347  102.240 1.9984 104.520 2.1381 -2.279846      2.926661 
1 1 1 18 16 18 o 87.525  1.6270 76.517   1.9986  86.327  2.1449 88.722  2.4469 -2.395767      3.253910 
1 1 1 18 16 20 o 69.847  1.6953 48.941   1.6380  70.450  2.0845 69.244  2.6741 1.206657       3.390612 
1 1 1 18 16 22 o 196.082 1.8262 383.998  4.9787  193.687 2.3076 198.477 2.8310 -4.789658      3.652324 
1 1 1 18 16 24 o 130.982 1.5712 171.209  2.8768  128.633 2.0351 133.331 2.3944 -4.698044      3.142473 
1 1 1 18 16 26 o 103.810 1.9382 108.157  2.8410  101.316 2.8360 106.304 2.6428 -4.987953      3.876484 
1 1 1 18 16 28 o 143.624 1.7480 206.496  3.5204  142.297 2.2884 144.951 2.6430 -2.654068      3.496035 
1 1 1 18 16 30 o 113.774 1.8649 129.626  2.9955  109.271 2.6295 118.276 2.6452 -9.004333      3.729805 
1 1 1 18 16 32 o 61.202  2.3587 37.500   2.0253  58.636  3.1579 63.769  3.5045 -5.132404      4.717389 
1 1 1 18 16 34 o 100.641 1.8629 101.936  2.6494  101.917 2.5686 99.365  2.6989 2.552185       3.725805 
1 1 1 18 16 36 o 98.617  1.6932 97.696   2.3556  101.526 2.4527 95.708  2.3350 5.818398       3.386443 
1 1 1 18 16 38 o 66.907  2.0919 45.525   1.9794  66.669  2.9690 67.146  2.9479 -0.4771576     4.183848 
1 1 1 18 16 40 o 19.032  4.9851 3.5049   1.7673  19.483  7.3843 18.582  6.6991 0.9005718      9.970209 
1 1 1 18 16 42 o 21.697  5.3593 4.8545   2.2275  25.835  7.6337 17.559  7.5244 8.275917       10.71865 
1 1 1 18 16 44 o 38.736  5.3819 18.410   2.7606  40.557  5.8250 36.915  9.0514 3.642052       10.76378 
1 1 1 18 16 46 f 17.082  5.2949 1.7945   2.3658  14.736  6.6253 19.428  8.2613 -4.691517      10.58976 
1 1 1 18 17 1  o 187.585 2.2151 352.327  5.8742  190.546 3.0828 184.624 3.1817 5.922623       4.430281 
1 1 1 18 17 3  o 173.608 1.7882 300.370  4.3064  170.552 2.2463 176.665 2.7829 -6.113663      3.576369 
1 1 1 18 17 5  f 130.210 1.6643 169.599  3.0635  131.164 2.3853 129.255 2.3217 1.909348       3.328693 
1 1 1 18 17 7  o 202.962 1.8267 412.531  5.1331  203.639 2.2575 202.286 2.8724 1.352661       3.653353 
1 1 1 18 17 9  o 182.891 1.7129 334.319  4.3465  181.997 2.1401 183.786 2.6751 -1.790024      3.425806 
1 1 1 18 17 11 o 209.468 1.9546 438.389  5.5432  208.432 2.2669 210.504 3.1849 -2.071915      3.909257 
1 1 1 18 17 13 o 155.342 1.5877 241.208  3.4561  154.282 2.0693 156.403 2.4086 -2.120667      3.175442 
1 1 1 18 17 15 o 221.266 1.9163 486.997  5.8456  216.018 2.3646 226.515 3.0161 -10.49661      3.832571 
1 1 1 18 17 17 o 161.295 1.7659 260.489  3.9168  161.418 2.1360 161.173 2.8128 0.2451172      3.531882 
1 1 1 18 17 19 o 48.788  2.4092 23.880   1.6601  47.349  3.5062 50.228  3.3052 -2.879204      4.818427 
1 1 1 18 17 21 f 71.608  1.8276 51.175   1.8429  69.341  2.4862 73.875  2.6793 -4.533951      3.655124 
1 1 1 18 17 23 o 109.418 1.7472 119.656  2.6270  108.624 2.1161 110.212 2.7808 -1.587456      3.494431 
1 1 1 18 17 25 f 115.481 1.6524 133.064  2.6270  113.770 2.0204 117.192 2.6152 -3.422424      3.304752 
1 1 1 18 17 27 o 90.991  1.9909 83.255   2.5524  93.665  2.6586 88.318  2.9642 5.347740       3.981740 
1 1 1 18 17 29 o 103.052 1.8430 106.196  2.6574  101.193 2.3977 104.911 2.7996 -3.718102      3.686061 
1 1 1 18 17 31 o 35.132  3.5170 12.917   1.6503  32.139  5.7726 38.126  4.0193 -5.987282      7.034017 
1 1 1 18 17 33 o 34.981  3.9608 12.727   1.8701  28.705  6.1825 41.257  4.9525 -12.55142      7.921513 
1 1 1 18 17 35 o 34.732  4.6762 12.825   2.1892  34.582  5.5390 34.882  7.5358 -0.2994804     9.352474 
1 1 1 18 17 37 o 25.176  4.6796 7.0958   1.6914  25.998  6.4162 24.354  6.8137 1.644167       9.359207 
1 1 1 18 17 39 o 15.090  4.7360 -0.8841  2.0629  14.191  6.5823 15.990  6.8113 -1.799982      9.472092 
1 1 1 18 17 41 o 24.702  5.4944 7.3128   2.1690  22.951  7.9601 26.453  7.5757 -3.502386      10.98884 
1 1 1 18 17 43 f 24.559  4.9576 7.3661   1.9986  19.121  7.6020 29.998  6.3655 -10.87695      9.915160 
1 1 1 18 17 45 o 13.904  4.4669 -0.5704  1.9070  13.553  6.1396 14.254  6.4899 -0.7011251     8.933876 
1 1 1 18 18 0  o 110.126 2.1471 121.444  4.7249  110.126 2.1471 ?       ?      0.000000       0.000000 
1 1 1 18 18 2  o 130.752 1.4330 170.910  2.6463  132.288 2.0754 129.216 1.9766 3.072556       2.866051 
1 1 1 18 18 4  o 115.820 1.5624 134.099  2.5397  116.477 2.3572 115.162 2.0514 1.314438       3.124838 
1 1 1 18 18 6  o 184.814 1.8076 341.617  4.7215  187.194 2.5923 182.433 2.5200 4.760757       3.615272 
1 1 1 18 18 8  o 172.830 1.8757 299.578  4.5472  175.443 2.4384 170.216 2.8509 5.226685       3.751418 
1 1 1 18 18 10 o 59.503  1.7456 35.406   1.4658  58.915  2.3843 60.091  2.5501 -1.176338      3.491160 
1 1 1 18 18 12 o 27.627  3.4281 7.9462   1.2738  21.578  5.5816 33.676  3.9816 -12.09832      6.856184 
1 1 1 18 18 14 o 217.780 1.9540 475.637  5.8947  219.406 2.4154 216.154 3.0721 3.251465       3.907938 
1 1 1 18 18 16 o 179.918 1.7851 324.206  4.5190  180.427 2.3710 179.408 2.6692 1.018555       3.570217 
1 1 1 18 18 18 o 188.885 1.6992 356.336  4.5010  185.862 2.2330 191.907 2.5619 -6.045471      3.398471 
1 1 1 18 18 20 o 131.408 1.5297 172.832  2.8381  131.291 2.0912 131.525 2.2331 -0.2346344     3.059410 
1 1 1 18 18 22 o 67.360  1.9103 45.453   1.8192  66.983  2.6690 67.737  2.7336 -0.7538376     3.820518 
1 1 1 18 18 24 o 47.224  2.5871 22.438   1.7216  46.472  3.8470 47.976  3.4603 -1.503654      5.174296 
1 1 1 18 18 26 o 59.587  2.3229 35.790   1.9427  61.261  3.0226 57.913  3.5281 3.347984       4.645819 
1 1 1 18 18 28 o 120.772 1.7593 146.155  2.9887  119.974 2.3417 121.569 2.6261 -1.595032      3.518505 
1 1 1 18 18 30 o 71.481  1.9889 51.251   2.0067  69.309  2.7637 73.652  2.8608 -4.342705      3.977754 
1 1 1 18 18 32 o 41.934  2.9661 17.606   1.7089  43.815  4.6633 40.052  3.6666 3.762447       5.932138 
1 1 1 18 18 34 o 47.161  2.8255 22.644   1.8830  48.568  3.9440 45.754  4.0470 2.814014       5.650927 
1 1 1 18 18 36 o 51.754  2.8776 27.398   2.0897  49.913  3.8377 53.594  4.2889 -3.681393      5.755233 
1 1 1 18 18 38 o 21.964  5.0438 5.0504   1.9711  26.245  6.9458 17.684  7.3154 8.560965       10.08756 
1 1 1 18 18 40 o 24.390  5.3664 7.1061   2.0746  22.500  7.7365 26.281  7.4390 -3.780079      10.73276 
1 1 1 18 18 42 o 21.376  5.1301 5.4163   1.8495  20.867  7.1288 21.886  7.3790 -1.018919      10.26013 
1 1 1 18 18 44 o 12.695  4.2122 -2.3007  1.8841  13.012  6.2306 12.379  5.6702 0.6334000      8.424455 
1 1 1 18 19 1  o 146.638 1.6472 215.143  3.4157  147.856 2.3319 145.419 2.3271 2.436676       3.294458 
1 1 1 18 19 3  o 186.474 1.8212 348.488  4.7752  184.258 2.7376 188.690 2.4025 -4.432693      3.642326 
1 1 1 18 19 5  o 208.036 1.8559 433.168  5.4575  207.941 2.6714 208.131 2.5770 -0.1904144     3.711766 
1 1 1 18 19 7  o 204.054 1.8386 417.071  5.2965  201.453 2.6941 206.656 2.5027 -5.202957      3.677140 
1 1 1 18 19 9  o 108.766 1.5190 117.742  2.2951  111.370 2.3506 106.162 1.9246 5.207954       3.038019 
1 1 1 18 19 11 o 53.212  1.8668 28.315   1.4018  52.495  2.5543 53.930  2.7231 -1.434971      3.733565 
1 1 1 18 19 13 o 125.608 1.5135 157.898  2.6680  125.590 1.9828 125.626 2.2872 -0.3618622E-01 3.026973 
1 1 1 18 19 15 o 116.695 1.6204 136.380  2.6033  116.902 1.9663 116.487 2.5762 0.4152145      3.240864 
1 1 1 18 19 17 o 115.299 1.5866 133.743  2.5141  117.447 1.9028 113.152 2.5393 4.294609       3.173118 
1 1 1 18 19 19 o 74.735  1.7592 56.021   1.8429  75.596  2.2805 73.874  2.6794 1.721985       3.518478 
1 1 1 18 19 21 o 145.254 1.7500 211.263  3.5346  145.016 2.2015 145.491 2.7209 -0.4752808     3.500012 
1 1 1 18 19 23 o 24.786  3.8802 6.3618   1.4018  18.339  6.1737 31.233  4.7019 -12.89405      7.760353 
1 1 1 18 19 25 o 136.641 1.7554 187.113  3.3648  136.202 2.2971 137.081 2.6550 -0.8798065     3.510770 
1 1 1 18 19 27 o 63.404  2.2807 40.417   2.0432  64.965  3.1451 61.843  3.3038 3.121811       4.561465 
1 1 1 18 19 29 o 37.639  3.7786 14.428   2.0108  37.797  5.4057 37.480  5.2811 0.3170738      7.557251 
1 1 1 18 19 31 o 30.069  4.0543 9.6463   1.6503  33.235  4.6109 26.904  6.6699 6.330915       8.108511 
1 1 1 18 19 33 o 52.962  2.8587 28.574   2.1385  54.876  3.9560 51.048  4.1277 3.828671       5.717310 
1 1 1 18 19 35 o 17.187  5.0918 1.0584   2.0761  17.159  7.4416 17.214  6.9519 -0.5449295E-01 10.18365 
1 1 1 18 19 37 f 17.111  5.0416 1.3409   2.0432  15.966  6.9222 18.256  7.3316 -2.290136      10.08310 
1 1 1 18 19 39 o 17.618  5.1377 2.0236   2.0629  19.199  7.6852 16.038  6.8208 3.160624       10.27549 
1 1 1 18 19 41 o 13.513  4.3752 -3.0133  1.9711  16.757  7.1409 10.268  5.0572 6.488501       8.750337 
1 1 1 18 19 43 o 15.511  4.9299 -0.0665  2.2555  17.334  7.5297 13.688  6.3654 3.645919       9.859783 
1 1 1 18 20 0  o 187.248 2.3878 350.922  8.9391  187.248 2.3878 ?       ?      0.000000       0.000000 
1 1 1 18 20 2  o 247.537 2.0063 613.411  7.0236  247.524 2.8375 247.550 2.8372 -0.2581787E-01 4.012647 
1 1 1 18 20 4  o 135.782 1.5652 184.082  2.9792  133.862 2.0511 137.702 2.3648 -3.840607      3.130346 
1 1 1 18 20 6  o 135.240 1.6333 182.437  3.0227  136.712 2.6154 133.769 1.9570 2.943619       3.266560 
1 1 1 18 20 8  f 121.570 1.6532 147.723  2.8324  123.167 2.4365 119.974 2.2352 3.192535       3.306497 
1 1 1 18 20 10 o 141.484 1.6025 200.235  3.1606  141.923 2.4744 141.046 2.0371 0.8769684      3.205098 
1 1 1 18 20 12 o 169.082 1.7468 285.888  4.0874  168.257 2.1630 169.907 2.7433 -1.649445      3.493503 
1 1 1 18 20 14 o 114.747 1.7247 132.135  2.7478  115.959 2.1475 113.536 2.6994 2.422523       3.449420 
1 1 1 18 20 16 o 221.191 1.9136 489.691  5.9316  220.380 2.4917 222.002 2.9049 -1.621948      3.827103 
1 1 1 18 20 18 o 120.182 1.6394 144.616  2.7595  120.168 2.1254 120.197 2.4967 -0.2876282E-01 3.278840 
1 1 1 18 20 20 o 37.480  2.9731 14.107   1.5585  33.233  4.4190 41.727  3.9785 -8.493637      5.946120 
1 1 1 18 20 22 o 112.633 1.8693 127.190  2.9522  112.655 2.4372 112.611 2.8350 0.4364777E-01  3.738576 
1 1 1 18 20 24 o 117.269 1.9447 137.992  3.2241  114.986 2.7764 119.552 2.7238 -4.565636      3.889442 
1 1 1 18 20 26 o 69.203  2.1964 48.269   2.1347  67.160  3.3275 71.247  2.8678 -4.086876      4.392812 
1 1 1 18 20 28 o 46.667  2.9739 22.055   1.9427  41.700  4.4404 51.634  3.9571 -9.933502      5.947813 
1 1 1 18 20 30 o 91.280  1.9535 83.649   2.5120  89.148  2.6500 93.411  2.8709 -4.263115      3.907005 
1 1 1 18 20 32 o 48.378  2.5343 23.809   1.7145  47.535  3.8954 49.222  3.2430 -1.687531      5.068639 
1 1 1 18 20 34 o 16.291  4.8364 0.8744   1.8787  15.536  6.5979 17.046  7.0731 -1.509298      9.672729 
1 1 1 18 20 36 o 18.353  5.3041 1.9155   2.2348  16.494  7.1958 20.212  7.7945 -3.718655      10.60819 
1 1 1 18 20 38 o 21.250  5.6135 4.8257   2.2555  21.920  8.2079 20.580  7.6602 1.340014       11.22707 
1 1 1 18 20 40 o 15.454  4.8313 -0.0359  1.9454  18.548  7.8273 12.361  5.6655 6.187177       9.662526 
1 1 1 18 20 42 o 15.312  4.8956 -0.3813  2.2555  17.075  7.4732 13.550  6.3262 3.524234       9.791251 
1 1 1 18 20 44 o 19.527  5.6272 4.1184   2.5285  23.659  8.8374 15.395  6.9686 8.263457       11.25441 
1 1 1 18 21 1  o 267.871 2.2601 718.449  8.5388  266.841 3.0628 268.900 3.3243 -2.059448      4.520163 
1 1 1 18 21 3  o 243.754 2.1120 594.930  7.2739  243.043 2.9161 244.465 3.0559 -1.422211      4.223974 
1 1 1 18 21 5  o 223.714 1.9577 500.715  6.1830  226.470 2.8476 220.958 2.6874 5.512329       3.915472 
1 1 1 18 21 7  o 200.522 1.8723 402.318  5.2719  201.617 2.8186 199.427 2.4653 2.190292       3.744598 
1 1 1 18 21 9  o 152.154 1.6734 232.064  3.5346  151.255 2.6173 153.054 2.0859 -1.798630      3.346778 
1 1 1 18 21 11 o 90.623  1.6786 81.948   2.1004  91.807  2.6429 89.440  2.0703 2.366646       3.357190 
1 1 1 18 21 13 o 120.914 1.8303 146.431  3.1274  120.462 2.6502 121.367 2.5253 -0.9045944     3.660692 
1 1 1 18 21 15 o 196.692 1.7477 387.250  4.8316  196.206 2.3105 197.179 2.6229 -0.9730682     3.495473 
1 1 1 18 21 17 o 177.508 1.7864 316.136  4.4549  179.792 2.3439 175.225 2.6965 4.566391       3.572800 
1 1 1 18 21 19 o 125.312 1.5885 156.956  2.7862  123.701 2.0647 126.923 2.4147 -3.221977      3.177062 
1 1 1 18 21 21 o 104.895 1.6384 110.093  2.4112  103.847 2.1520 105.943 2.4710 -2.096176      3.276727 
1 1 1 18 21 23 f 83.479  1.8653 69.797   2.1987  80.967  2.6024 85.992  2.6731 -5.024315      3.730630 
1 1 1 18 21 25 o 21.719  4.8426 4.7544   1.6503  22.675  7.1015 20.763  6.5859 1.911867       9.685277 
1 1 1 18 21 27 o 38.465  3.5027 15.147   1.8830  42.272  4.5314 34.659  5.3426 7.613235       7.005471 
1 1 1 18 21 29 o 32.442  5.5889 11.037   2.2843  30.848  5.8018 34.036  9.5541 -3.188671      11.17776 
1 1 1 18 21 31 o 20.028  5.5360 2.8413   2.2968  18.870  7.7694 21.186  7.8883 -2.315624      11.07193 
1 1 1 18 21 33 o 40.755  3.3396 17.278   1.9134  42.215  4.3863 39.295  5.0372 2.919518       6.679290 
1 1 1 18 21 35 o 38.981  3.4849 16.026   1.9155  40.701  4.7063 37.261  5.1408 3.439796       6.969758 
1 1 1 18 21 37 o 32.312  4.0314 11.457   1.7513  32.707  6.4774 31.917  4.8013 0.7898712      8.062833 
1 1 1 18 21 39 o 22.406  5.2947 5.9731   1.9773  23.776  7.6112 21.037  7.3626 2.739548       10.58949 
1 1 1 18 21 41 o 19.123  5.2272 4.0925   2.0108  19.579  7.3949 18.668  7.3898 0.9106083      10.45440 
1 1 1 18 21 43 o 16.606  4.9935 1.7173   2.1347  19.546  7.7313 13.667  6.3219 5.879197       9.986952 
1 1 1 18 22 0  o 142.778 2.5957 204.194  7.4067  142.778 2.5957 ?       ?      0.000000       0.000000 
1 1 1 18 22 2  o 143.728 1.6655 206.737  3.3793  144.411 2.4318 143.046 2.2765 1.365128       3.331052 
1 1 1 18 22 4  o 43.930  2.4774 19.363   1.5218  43.703  3.7986 44.157  3.1812 -0.4540977     4.954760 
1 1 1 18 22 6  o 124.310 1.6743 154.714  2.9246  124.274 2.5176 124.345 2.2080 -0.7028961E-01 3.348654 
1 1 1 18 22 8  o 238.220 2.0680 567.928  6.9310  240.350 3.0816 236.091 2.7586 4.258713       4.135952 
1 1 1 18 22 10 o 34.657  3.3062 12.004   1.5324  35.087  5.4593 34.227  3.7310 0.8604622      6.612414 
1 1 1 18 22 12 o 101.513 1.7462 103.019  2.4492  102.126 2.7509 100.900 2.1516 1.225601       3.492406 
1 1 1 18 22 14 o 128.418 1.6979 165.570  3.0435  126.588 2.6229 130.248 2.1570 -3.660172      3.395882 
1 1 1 18 22 16 o 41.734  2.9929 17.831   1.7145  45.116  3.5382 38.352  4.8281 6.764050       5.985759 
1 1 1 18 22 18 o 78.031  1.9150 61.169   2.1071  74.595  2.8247 81.468  2.5864 -6.873428      3.829901 
1 1 1 18 22 20 o 36.544  3.5166 13.402   1.8057  34.480  4.8147 38.607  5.1270 -4.126961      7.033284 
1 1 1 18 22 22 o 39.166  3.3573 15.549   1.8495  37.929  5.0503 40.402  4.4250 -2.473698      6.714620 
1 1 1 18 22 24 o 41.909  3.3437 17.977   1.9344  39.510  5.3329 44.308  4.0349 -4.797859      6.687366 
1 1 1 18 22 26 o 55.239  2.3661 30.481   1.8318  58.890  3.4695 51.588  3.2180 7.302582       4.732155 
1 1 1 18 22 28 o 40.223  3.5925 17.755   1.8057  32.631  6.2903 47.815  3.4720 -15.18378      7.184903 
1 1 1 18 22 30 o 32.255  4.3916 11.372   1.9711  21.950  7.2550 42.561  4.9508 -20.61057      8.783222 
1 1 1 18 22 32 o 37.916  3.8206 15.133   2.0432  39.516  5.1706 36.316  5.6262 3.199600       7.641281 
1 1 1 18 22 34 f 24.700  5.5334 7.0235   2.1709  23.931  7.8556 25.470  7.7952 -1.539648      11.06686 
1 1 1 18 22 36 o 37.235  4.1717 14.871   2.1246  40.221  6.5087 34.249  5.2200 5.972027       8.343321 
1 1 1 18 22 38 o 18.696  5.3069 2.5824   2.2702  16.609  7.4390 20.783  7.5706 -4.174541      10.61378 
1 1 1 18 22 40 o 16.799  5.2335 0.9947   2.4246  17.773  7.6729 15.826  7.1192 1.946914       10.46693 
1 1 1 18 22 42 o 21.413  5.7669 6.3850   2.4263  22.324  8.2378 20.502  8.0727 1.822334       11.53386 
1 1 1 18 23 1  o 158.034 1.7285 250.054  3.8627  156.197 2.4527 159.871 2.4363 -3.673325      3.457031 
1 1 1 18 23 3  o 223.110 1.8821 498.067  5.9271  220.305 2.5795 225.914 2.7415 -5.608963      3.764250 
1 1 1 18 23 5  o 110.483 1.6861 122.070  2.5789  110.987 2.6464 109.978 2.0901 1.009193       3.372177 
1 1 1 18 23 7  o 38.713  3.4012 15.210   1.7744  37.531  5.6142 39.894  3.8412 -2.363274      6.802498 
1 1 1 18 23 9  o 54.229  2.6192 29.375   1.9052  54.787  4.3121 53.670  2.9742 1.116684       5.238317 
1 1 1 18 23 11 o 122.370 1.7477 148.940  2.9140  125.000 2.8094 119.741 2.0796 5.258865       3.495383 
1 1 1 18 23 13 o 36.984  3.4260 13.329   1.6761  39.768  5.6194 34.199  3.9208 5.569824       6.852073 
1 1 1 18 23 15 f 80.692  1.7676 65.280   1.9052  80.579  2.9319 80.804  1.9755 -0.2246475     3.535286 
1 1 1 18 23 17 o 73.407  1.9735 54.145   2.0432  70.275  2.9074 76.538  2.6695 -6.262672      3.947101 
1 1 1 18 23 19 o 18.849  4.8092 3.0010   1.6601  17.569  6.7322 20.129  6.8695 -2.559536      9.618369 
1 1 1 18 23 21 o 29.239  3.7884 8.7582   1.5218  33.141  5.0092 25.336  5.6848 7.805023       7.576840 
1 1 1 18 23 23 o 58.210  2.6473 34.154   2.1540  58.223  4.0576 58.196  3.4012 0.2655411E-01  5.294558 
1 1 1 18 23 25 o 65.844  2.2961 43.533   2.1271  67.891  3.3857 63.798  3.1026 4.092968       4.592288 
1 1 1 18 23 27 o 70.617  2.1112 50.314   2.1071  69.171  3.0462 72.064  2.9239 -2.893364      4.222363 
1 1 1 18 23 29 o 23.737  5.5277 5.7958   2.2275  21.090  8.0457 26.383  7.5823 -5.292816      11.05548 
1 1 1 18 23 31 o 45.151  3.2501 21.169   2.0707  45.775  4.7426 44.526  4.4454 1.249176       6.500282 
1 1 1 18 23 33 o 29.891  5.1800 10.473   2.1913  26.907  8.1113 32.875  6.4450 -5.967073      10.36008 
1 1 1 18 23 35 o 37.840  3.8953 15.609   2.0707  36.844  5.8922 38.836  5.0968 -1.991928      7.790697 
1 1 1 18 23 37 o 43.985  3.9695 21.412   2.4578  46.004  5.2742 41.966  5.9338 4.037689       7.938949 
1 1 1 18 23 39 o 26.812  5.9228 9.8103   2.5185  28.494  8.1196 25.129  8.6251 3.365211       11.84563 
1 1 1 18 23 41 f 16.422  4.9392 2.1770   2.0067  16.469  7.0833 16.375  6.8854 0.9439468E-01  9.878344 
1 1 1 18 24 0  o 213.755 2.8389 457.552  12.132  213.755 2.8389 ?       ?      0.000000       0.000000 
1 1 1 18 24 2  o 136.076 1.7594 185.486  3.3841  133.519 2.5345 138.633 2.4410 -5.114563      3.518866 
1 1 1 18 24 4  o 49.813  2.4930 24.878   1.7553  51.093  3.4992 48.534  3.5521 2.558369       4.986099 
1 1 1 18 24 6  o 49.165  2.5329 24.117   1.7274  50.314  3.9340 48.016  3.1915 2.297840       5.065780 
1 1 1 18 24 8  f 46.933  2.6504 21.832   1.7089  49.012  4.1688 44.853  3.2741 4.159012       5.300829 
1 1 1 18 24 10 o 128.406 1.6956 165.367  3.0435  127.517 2.6038 129.295 2.1729 -1.778084      3.391300 
1 1 1 18 24 12 o 171.985 1.8144 297.332  4.3213  169.789 2.8580 174.182 2.2361 -4.392593      3.628848 
1 1 1 18 24 14 o 95.103  1.8522 91.543   2.3440  92.743  3.0981 97.462  2.0309 -4.718971      3.704424 
1 1 1 18 24 16 o 109.422 1.8676 120.436  2.7606  108.464 3.0611 110.381 2.1403 -1.917206      3.735161 
1 1 1 18 24 18 o 134.620 1.8320 181.253  3.4444  132.481 2.3616 136.760 2.8013 -4.278397      3.663924 
1 1 1 18 24 20 o 146.587 1.8024 215.406  3.7284  145.387 2.4594 147.787 2.6355 -2.400436      3.604754 
1 1 1 18 24 22 o 30.891  4.3125 10.324   1.8147  25.447  7.2027 36.336  4.7445 -10.88850      8.624912 
1 1 1 18 24 24 o 45.165  3.0656 21.028   1.9070  48.742  3.6679 41.588  4.9129 7.153332       6.131120 
1 1 1 18 24 26 o 63.079  2.4839 40.309   2.1802  62.847  3.8607 63.310  3.1265 -0.4629059     4.967853 
1 1 1 18 24 28 o 77.589  2.0492 60.975   2.2183  76.573  3.1686 78.606  2.5993 -2.032715      4.098382 
1 1 1 18 24 30 o 81.568  2.2122 67.506   2.5397  78.163  3.0225 84.972  3.2311 -6.809532      4.424443 
1 1 1 18 24 32 o 50.115  3.4251 26.500   2.4246  49.979  4.9824 50.252  4.7013 -0.2724648     6.850284 
1 1 1 18 24 34 o 17.087  4.9785 1.8841   1.9427  18.057  7.2984 16.117  6.7730 1.939726       9.956939 
1 1 1 18 24 36 o 23.758  5.2180 6.5127   2.1709  17.864  7.4098 29.653  7.3489 -11.78855      10.43607 
1 1 1 18 24 38 o 19.083  5.5347 3.2933   2.3994  22.112  8.5360 16.054  7.0474 6.058170       11.06930 
1 1 1 18 24 40 f 15.287  4.8695 -0.6263  2.3301  12.609  6.0840 17.965  7.6047 -5.355894      9.738910 
1 1 1 18 25 1  o 95.043  1.7871 90.693   2.3906  93.020  2.6770 97.065  2.3681 -4.044968      3.574130 
1 1 1 18 25 3  o 95.989  1.8354 92.344   2.4885  96.327  2.5188 95.652  2.6701 0.6751709      3.670706 
1 1 1 18 25 5  o 181.706 1.7146 330.809  4.4057  180.423 2.4419 182.989 2.4076 -2.565186      3.429188 
1 1 1 18 25 7  o 149.022 1.6988 222.474  3.5654  149.284 2.5235 148.759 2.2749 0.5252228      3.397503 
1 1 1 18 25 9  o 133.534 1.7618 178.780  3.3092  133.110 2.6382 133.958 2.3356 -0.8475647     3.523527 
1 1 1 18 25 11 o 116.268 1.8731 135.730  3.0435  115.336 2.8788 117.200 2.3971 -1.864113      3.746120 
1 1 1 18 25 13 o 111.409 1.8756 124.929  2.8263  110.209 3.0706 112.609 2.1546 -2.400482      3.751149 
1 1 1 18 25 15 o 114.437 1.8855 131.598  3.0057  113.508 2.9251 115.365 2.3799 -1.857315      3.770952 
1 1 1 18 25 17 o 63.317  2.6325 40.098   2.1550  64.028  4.4875 62.606  2.7537 1.421680       5.265040 
1 1 1 18 25 19 o 85.365  2.0679 73.312   2.4836  84.483  3.0987 86.246  2.7392 -1.763184      4.135840 
1 1 1 18 25 21 o 32.628  4.9091 11.561   2.2662  25.287  8.0706 39.969  5.5912 -14.68237      9.818183 
1 1 1 18 25 23 o 92.355  1.8583 85.812   2.4246  92.301  2.5595 92.409  2.6947 -0.1086197     3.716549 
1 1 1 18 25 25 o 115.274 1.9596 134.064  3.1912  114.341 2.8480 116.208 2.6923 -1.867134      3.919107 
1 1 1 18 25 27 o 63.835  2.5122 41.451   2.2662  63.170  3.6388 64.500  3.4647 -1.330574      5.024475 
1 1 1 18 25 29 o 32.787  4.3873 11.761   1.9608  32.051  6.9680 33.524  5.3330 -1.472939      8.774632 
1 1 1 18 25 31 o 48.329  3.4659 24.710   2.3625  50.376  4.6896 46.281  5.1046 4.095642       6.931815 
1 1 1 18 25 33 o 17.069  5.0541 1.4872   2.0746  15.911  6.9641 18.226  7.3266 -2.314861      10.10828 
1 1 1 18 25 35 o 18.976  5.5059 3.0234   2.3469  18.096  7.4486 19.856  8.1103 -1.760546      11.01174 
1 1 1 18 25 37 o 24.406  5.6891 7.8181   2.2543  27.684  8.5780 21.128  7.4753 6.556154       11.37814 
1 1 1 18 25 39 o 19.244  5.3415 3.9829   2.3469  22.559  7.8435 15.928  7.2531 6.631092       10.68307 
1 1 1 18 26 0  o 54.254  4.0462 30.010   4.3418  54.254  4.0462 ?       ?      0.000000       0.000000 
1 1 1 18 26 2  o 116.948 1.7388 137.151  2.8733  119.733 2.3997 114.164 2.5168 5.568909       3.477502 
1 1 1 18 26 4  o 106.364 1.8887 113.344  2.8381  104.723 2.6218 108.005 2.7194 -3.282501      3.777421 
1 1 1 18 26 6  o 80.512  2.0353 65.314   2.2827  78.627  3.1671 82.397  2.5572 -3.769730      4.070573 
1 1 1 18 26 8  o 127.517 1.7233 163.153  3.0806  126.719 2.6202 128.316 2.2392 -1.597031      3.446640 
1 1 1 18 26 10 o 166.479 1.8379 278.171  4.2813  165.824 2.8109 167.133 2.3686 -1.309906      3.675766 
1 1 1 18 26 12 o 178.193 1.8454 318.292  4.5796  178.833 2.8563 177.552 2.3375 1.280289       3.690861 
1 1 1 18 26 14 o 74.740  2.0510 56.740   2.0374  72.426  3.4382 77.053  2.2374 -4.626953      4.102077 
1 1 1 18 26 16 o 95.287  1.9862 91.010   2.4917  95.606  3.3393 94.969  2.1515 0.6368637      3.972325 
1 1 1 18 26 18 o 53.717  2.9542 29.805   2.1240  50.474  4.9336 56.960  3.2508 -6.486053      5.908328 
1 1 1 18 26 20 o 25.423  5.9305 6.5979   2.4885  24.360  8.5039 26.486  8.2686 -2.126329      11.86106 
1 1 1 18 26 22 o 28.213  5.3668 8.7003   2.2024  26.412  7.8744 30.014  7.2942 -3.601786      10.73368 
1 1 1 18 26 24 o 26.324  5.1933 7.3702   1.9256  29.125  8.0622 23.522  6.5485 5.602169       10.38661 
1 1 1 18 26 26 o 18.586  5.2221 2.3399   2.0707  17.803  7.3986 19.368  7.3716 -1.565481      10.44411 
1 1 1 18 26 28 o 25.838  5.2398 7.6306   2.0746  22.507  7.7367 29.168  7.0687 -6.661612      10.47969 
1 1 1 18 26 30 o 19.157  5.1576 2.5029   2.1454  16.392  7.4555 21.922  7.1288 -5.530401      10.31527 
1 1 1 18 26 32 o 26.582  5.4777 8.1980   2.2123  32.256  8.1165 20.908  7.3582 11.34860       10.95535 
1 1 1 18 26 34 o 22.279  5.8596 5.8047   2.5185  20.523  8.2752 24.036  8.2983 -3.512695      11.71927 
1 1 1 18 26 36 o 39.419  4.4892 18.619   2.4246  41.754  5.6581 37.084  6.9713 4.669270       8.978459 
1 1 1 18 26 38 o 22.994  5.8801 7.3958   2.6116  18.303  7.7802 27.685  8.8189 -9.382381      11.76030 
1 1 1 18 27 1  o 87.393  2.0409 76.650   2.5217  88.960  2.8710 85.827  2.9014 3.133392       4.081732 
1 1 1 18 27 3  o 132.457 1.8082 176.006  3.3793  132.105 2.6583 132.809 2.4519 -0.7045288     3.616429 
1 1 1 18 27 5  o 184.677 1.9207 342.332  5.0072  183.861 2.8129 185.492 2.6161 -1.630920      3.841411 
1 1 1 18 27 7  o 117.866 1.8674 139.190  3.0569  118.553 2.9083 117.178 2.3431 1.375641       3.734759 
1 1 1 18 27 9  o 53.762  2.8205 29.106   2.1271  53.851  4.2685 53.672  3.6879 0.1788101      5.640956 
1 1 1 18 27 11 o 99.791  2.0645 99.762   2.8768  100.904 3.1639 98.678  2.6529 2.225807       4.128993 
1 1 1 18 27 13 o 128.610 1.8186 165.641  3.2359  129.695 2.8554 127.526 2.2531 2.168999       3.637288 
1 1 1 18 27 15 o 140.307 1.8779 196.609  3.6142  143.249 2.9864 137.365 2.2776 5.884048       3.755831 
1 1 1 18 27 17 o 96.631  1.9469 94.097   2.6402  95.112  2.9538 98.151  2.5371 -3.038673      3.893816 
1 1 1 18 27 19 o 65.024  2.5237 43.037   2.1907  63.812  4.2025 66.236  2.7956 -2.423851      5.047400 
1 1 1 18 27 21 o 30.038  5.4585 9.4499   2.2986  36.567  8.0736 23.508  7.3484 13.05979       10.91709 
1 1 1 18 27 23 o 47.101  3.6003 22.935   2.3906  46.699  5.3323 47.502  4.8390 -0.8026009     7.200661 
1 1 1 18 27 25 o 49.988  3.3027 26.068   2.3301  51.294  4.4813 48.682  4.8529 2.611969       6.605473 
1 1 1 18 27 27 o 39.917  3.3817 17.037   1.8318  36.763  5.5577 43.071  3.8543 -6.307793      6.763466 
1 1 1 18 27 29 o 42.923  3.0392 19.406   1.8057  41.119  4.8137 44.727  3.7116 -3.607735      6.078488 
1 1 1 18 27 31 o 18.846  5.3069 1.7339   2.1655  24.852  8.8030 12.840  5.9295 12.01290       10.61372 
1 1 1 18 27 33 o 23.769  5.6319 6.7426   2.3906  18.772  7.6852 28.766  8.2349 -9.994432      11.26388 
1 1 1 18 27 35 o 52.941  3.4546 31.208   2.5855  51.869  4.9240 54.012  4.8468 -2.143055      6.909197 
1 1 1 18 27 37 o 25.935  5.4262 9.3732   2.2275  30.937  7.6657 20.933  7.6818 10.00370       10.85236 
1 1 1 18 28 0  o 89.081  3.0903 79.813   5.4911  89.081  3.0903 ?       ?      0.000000       0.000000 
1 1 1 18 28 2  o 51.978  3.1268 27.245   2.2968  52.641  4.4879 51.315  4.3550 1.325336       6.253572 
1 1 1 18 28 4  o 24.162  5.1110 5.7564   2.0629  19.289  7.6991 29.036  6.7240 -9.746975      10.22195 
1 1 1 18 28 6  o 33.067  4.7077 11.343   2.1634  37.145  6.1882 28.988  7.0961 8.157848       9.415326 
1 1 1 18 28 8  o 38.420  4.1591 14.677   2.1907  41.534  6.4566 35.306  5.2446 6.228329       8.318276 
1 1 1 18 28 10 o 58.406  2.9099 34.341   2.3599  59.317  4.5210 57.495  3.6648 1.822681       5.819778 
1 1 1 18 28 12 o 112.289 2.0447 126.449  3.0648  113.095 3.3874 111.484 2.2909 1.610947       4.089393 
1 1 1 18 28 14 o 128.727 1.8844 166.688  3.3918  128.199 2.8887 129.255 2.4205 -1.056305      3.768806 
1 1 1 18 28 16 o 81.409  2.3868 66.404   2.6051  83.013  3.9227 79.805  2.7203 3.208336       4.773659 
1 1 1 18 28 18 o 44.085  3.0838 18.510   1.7962  51.657  4.8206 36.512  3.8472 15.14465       6.167585 
1 1 1 18 28 20 o 27.154  5.0544 7.7650   1.8125  29.264  8.3278 25.045  5.7303 4.218840       10.10887 
1 1 1 18 28 22 o 44.753  4.2674 20.612   2.6291  49.231  6.4848 40.274  5.5488 8.956234       8.534783 
1 1 1 18 28 24 o 40.209  4.6230 18.433   2.4246  31.781  7.8673 48.637  4.8574 -16.85538      9.245976 
1 1 1 18 28 26 o 48.904  3.4194 25.166   2.3556  52.218  4.7688 45.590  4.9019 6.628273       6.838824 
1 1 1 18 28 28 o 38.077  4.2420 16.251   2.2024  34.739  6.6711 41.416  5.2418 -6.676895      8.484049 
1 1 1 18 28 30 o 21.923  5.7826 5.3970   2.4196  21.252  8.3042 22.595  8.0495 -1.342964      11.56516 
1 1 1 18 28 32 o 13.940  4.6603 -3.7382  2.4379  13.714  6.6058 14.166  6.5754 -0.4526558     9.320559 
1 1 1 18 28 34 o 17.780  5.2971 1.4516   2.5185  21.300  8.1455 14.259  6.7740 7.040738       10.59419 
1 1 1 18 29 1  o 212.571 2.0612 454.324  6.1909  211.497 2.9888 213.645 2.8392 -2.148300      4.122360 
1 1 1 18 29 3  o 158.549 1.8375 252.500  4.1161  158.050 2.6663 159.048 2.5292 -0.9983368     3.675048 
1 1 1 18 29 5  o 50.562  2.9423 26.110   2.0629  48.118  4.6443 53.007  3.6137 -4.888779      5.884624 
1 1 1 18 29 7  o 46.272  2.9757 21.604   1.9344  47.602  4.4264 44.941  3.9781 2.661041       5.951319 
1 1 1 18 29 9  o 41.729  3.9024 17.666   2.1655  42.378  6.4788 41.080  4.3521 1.298092       7.804833 
1 1 1 18 29 11 f 76.618  2.2692 58.942   2.3440  77.382  3.7131 75.855  2.6094 1.526932       4.538300 
1 1 1 18 29 13 o 112.120 1.9454 126.010  2.9996  113.859 3.0843 110.381 2.3717 3.478386       3.890738 
1 1 1 18 29 15 o 97.326  2.1658 95.995   2.7785  96.286  3.6472 98.367  2.3368 -2.080940      4.331608 
1 1 1 18 29 17 o 43.146  4.1692 18.937   2.3762  45.308  6.9054 40.984  4.6738 4.323879       8.338371 
1 1 1 18 29 19 o 23.983  5.7691 5.2530   2.0708  30.151  9.4991 17.815  6.5497 12.33583       11.53829 
1 1 1 18 29 21 o 29.655  5.8386 10.171   2.5608  25.269  10.333 34.040  5.4396 -8.771111      11.67722 
1 1 1 18 29 23 f 24.193  5.9360 6.1783   2.6574  20.646  8.5946 27.740  8.1900 -7.094191      11.87192 
1 1 1 18 29 25 o 22.837  5.7682 5.6775   2.3469  23.107  8.4595 22.567  7.8438 0.5404549      11.53641 
1 1 1 18 29 27 o 17.947  5.2955 1.5963   2.2968  20.326  7.9776 15.569  6.9663 4.756513       10.59110 
1 1 1 18 29 29 o 16.663  5.0987 0.3831   2.2986  14.404  6.6792 18.921  7.7056 -4.517410      10.19742 
1 1 1 18 29 31 o 19.881  5.6939 4.0275   2.4885  19.764  8.0977 19.998  8.0068 -0.2345848     11.38779 
1 1 1 18 29 33 o 16.770  5.2740 1.2010   2.5185  16.334  7.2850 17.206  7.6281 -0.8714180     10.54795 
1 1 1 18 30 0  o 168.298 2.7332 284.262  9.1945  168.298 2.7332 ?       ?      0.000000       0.000000 
1 1 1 18 30 2  o 91.906  2.0880 85.016   2.7133  90.385  2.9670 93.428  2.9387 -3.042542      4.176009 
1 1 1 18 30 4  o 40.011  4.3399 16.993   2.3266  35.539  7.0781 44.482  5.0239 -8.942989      8.679858 
1 1 1 18 30 6  o 84.143  2.0928 71.321   2.4902  83.498  2.9823 84.788  2.9369 -1.290016      4.185676 
1 1 1 18 30 8  o 35.736  4.6575 13.261   2.1367  36.661  7.8893 34.810  4.9525 1.850697       9.314907 
1 1 1 18 30 10 o 39.303  4.2673 15.830   2.3003  40.620  6.7591 37.985  5.2108 2.634853       8.534547 
1 1 1 18 30 12 o 21.536  5.8599 3.5993   2.4121  22.155  9.1216 20.918  7.3585 1.237339       11.71973 
1 1 1 18 30 14 o 36.044  4.8098 14.095   2.3607  35.315  6.7501 36.772  6.8535 -1.457066      9.619503 
1 1 1 18 30 16 o 85.249  2.5888 74.459   2.9996  83.199  4.2209 87.300  2.9987 -4.100838      5.177696 
1 1 1 18 30 18 o 94.724  2.3180 90.197   2.9039  97.731  3.8547 91.716  2.5758 6.014343       4.636084 
1 1 1 18 30 20 o 51.405  3.8848 28.997   2.4621  47.137  6.9083 55.673  3.5553 -8.536324      7.769527 
1 1 1 18 30 22 o 26.223  5.9388 7.9338   2.3854  28.652  9.2294 23.794  7.4763 4.858362       11.87755 
1 1 1 18 30 24 o 30.555  5.9042 11.362   2.4115  29.479  10.245 31.632  5.8719 -2.152918      11.80835 
1 1 1 18 30 26 o 31.000  5.7957 11.928   2.6116  27.104  8.3596 34.895  8.0298 -7.790785      11.59139 
1 1 1 18 30 28 o 25.124  5.7218 8.0277   2.3301  26.939  8.1095 23.310  8.0741 3.628990       11.44357 
1 1 1 18 30 30 o 28.532  5.7776 10.994   2.4379  30.887  8.4434 26.177  7.8886 4.710150       11.55515 
1 1 1 18 30 32 o 24.611  5.8809 8.8050   2.5476  21.313  8.4569 27.908  8.1743 -6.594460      11.76171 
1 1 1 18 31 1  o 162.357 2.3266 266.787  5.3267  159.473 3.4433 165.241 3.1299 -5.767410      4.653240 
1 1 1 18 31 3  o 113.951 2.1941 130.573  3.4375  115.528 3.4819 112.373 2.6705 3.154884       4.388108 
1 1 1 18 31 5  o 18.999  5.4889 1.0281   2.4732  17.050  7.7451 20.948  7.7797 -3.897430      10.97771 
1 1 1 18 31 7  o 32.766  4.7298 11.546   2.1634  39.691  5.7913 25.842  7.4795 13.84879       9.459518 
1 1 1 18 31 9  o 52.013  3.3275 27.919   2.3225  50.984  5.5103 53.041  3.7318 -2.056149      6.655083 
1 1 1 18 31 11 o 43.070  4.4631 19.265   2.6502  44.813  6.9815 41.327  5.5620 3.486519       8.926258 
1 1 1 18 31 13 o 47.034  4.4531 23.497   2.9371  50.564  5.8087 43.505  6.7513 7.059147       8.906230 
1 1 1 18 31 15 o 92.037  2.4146 87.677   2.9996  88.143  3.9842 95.931  2.7289 -7.788742      4.829148 
1 1 1 18 31 17 o 79.778  2.8981 65.394   2.9255  80.084  5.0230 79.472  2.8923 0.6112671      5.796200 
1 1 1 18 31 19 f 47.865  3.4568 24.088   2.2117  47.961  5.7246 47.769  3.8763 0.1916466      6.913527 
1 1 1 18 31 21 o 17.639  5.4107 1.0014   2.1844  20.899  8.8431 14.380  6.2373 6.518377       10.82145 
1 1 1 18 31 23 o 28.410  5.7323 9.8314   2.2802  26.186  9.9871 30.633  5.6298 -4.447790      11.46464 
1 1 1 18 31 25 o 16.163  5.2205 -1.4047  2.6817  16.080  7.3590 16.246  7.4069 -0.1654263     10.44110 
1 1 1 18 31 27 o 17.686  5.4862 1.0693   2.6494  18.809  8.0370 16.563  7.4701 2.245897       10.97246 
1 1 1 18 31 29 o 39.919  4.6371 19.208   2.6163  40.278  6.6580 39.560  6.4561 0.7187805      9.274151 
1 1 1 18 31 31 f 21.336  5.8061 6.2234   2.5120  24.160  8.6857 18.512  7.7073 5.648102       11.61219 
1 1 1 18 32 0  o 95.826  3.4076 92.839   6.5127  95.826  3.4076 ?       ?      0.000000       0.000000 
1 1 1 18 32 2  o 109.844 2.1611 121.245  3.3008  113.230 3.3270 106.458 2.7589 6.772476       4.322119 
1 1 1 18 32 4  o 54.714  3.6443 30.497   2.7165  57.063  5.8185 52.364  4.3897 4.699020       7.288616 
1 1 1 18 32 6  o 36.389  4.5503 14.104   2.2915  34.469  6.5351 38.309  6.3336 -3.839199      9.100646 
1 1 1 18 32 8  o 111.440 2.1278 125.909  3.2601  111.042 3.3926 111.837 2.5692 -0.7949371     4.255593 
1 1 1 18 32 10 o 50.910  3.4588 26.218   2.3576  54.850  5.5877 46.970  4.0782 7.879749       6.917626 
1 1 1 18 32 12 o 37.603  4.8063 15.657   2.3188  36.506  8.2405 38.701  4.9496 -2.194527      9.612668 
1 1 1 18 32 14 o 92.525  2.6191 86.935   3.0439  94.019  4.5501 91.031  2.5952 2.987686       5.238206 
1 1 1 18 32 16 o 96.278  2.7261 96.250   3.0789  94.741  4.9198 97.816  2.3499 -3.074776      5.452241 
1 1 1 18 32 18 o 57.372  3.5534 34.777   2.8378  58.157  5.4895 56.587  4.5134 1.570240       7.106702 
1 1 1 18 32 20 o 33.135  5.7432 13.419   2.6072  32.670  9.1917 33.600  6.8883 -0.9296761     11.48631 
1 1 1 18 32 22 o 18.869  5.4791 1.6868   2.5317  17.107  8.0292 20.630  7.4576 -3.522551      10.95825 
1 1 1 18 32 24 o 25.045  5.6995 7.7046   2.1283  25.349  9.4303 24.741  6.4038 0.6080990      11.39907 
1 1 1 18 32 26 o 18.785  5.7668 2.5203   2.8263  18.792  8.4834 18.777  7.8137 0.1558113E-01  11.53352 
1 1 1 18 32 28 o 21.963  5.7060 6.2043   2.4479  26.360  8.6264 17.565  7.4710 8.795219       11.41191 
1 1 1 18 33 1  o 23.225  5.9695 5.5039   2.5397  25.353  8.8202 21.096  8.0463 4.257088       11.93898 
1 1 1 18 33 3  o 44.183  4.0358 21.059   2.4379  40.906  6.5558 47.460  4.7087 -6.553726      8.071562 
1 1 1 18 33 5  o 46.983  3.2269 22.967   2.1271  47.111  4.8792 46.855  4.2244 0.2554817      6.453855 
1 1 1 18 33 7  f 30.995  5.9784 11.209   2.6832  34.498  8.6958 27.492  8.2067 7.006317       11.95689 
1 1 1 18 33 9  o 25.725  6.6203 7.0939   3.0231  29.230  10.237 22.220  8.3979 7.009346       13.24054 
1 1 1 18 33 11 o 37.088  5.3729 15.360   2.6253  41.929  8.2115 32.246  6.9314 9.682541       10.74580 
1 1 1 18 33 13 f 51.451  4.4640 28.702   2.9900  51.331  7.5878 51.571  4.7048 -0.2397537     8.928052 
1 1 1 18 33 15 o 43.999  3.7668 19.895   2.2520  50.487  5.6911 37.512  4.9362 12.97507       7.533635 
1 1 1 18 33 17 o 18.956  5.6085 2.2299   2.3576  22.375  8.9821 15.536  6.7188 6.838945       11.21691 
1 1 1 18 33 19 o 44.321  4.2965 21.006   2.5781  49.945  6.6477 38.697  5.4450 11.24808       8.593064 
1 1 1 18 33 21 o 38.721  5.4179 18.476   2.7606  35.528  9.2544 41.915  5.6364 -6.387207      10.83573 
1 1 1 18 33 23 o 19.218  5.5945 3.2351   2.1283  23.108  9.2089 15.327  6.3554 7.781407       11.18905 
1 1 1 18 33 25 o 22.462  5.9599 6.4439   2.3503  22.702  9.7759 22.222  6.8199 0.4800205      11.91971 
1 1 1 18 33 27 o 30.274  5.4720 12.667   2.3607  28.678  8.1028 31.871  7.3562 -3.192440      10.94392 
1 1 1 18 34 0  o 13.225  8.5806 0.7662   5.2357  13.225  8.5806 ?       ?      0.000000       0.000000 
1 1 1 18 34 2  o 22.574  6.0803 4.6524   2.8080  26.032  9.0262 19.116  8.1490 6.916140       12.16057 
1 1 1 18 34 4  o 43.275  4.8117 21.041   2.8410  47.092  5.9658 39.458  7.5512 7.634068       9.623486 
1 1 1 18 34 6  o 90.386  2.4239 83.961   3.0938  90.344  3.5338 90.428  3.3186 -0.8438110E-01 4.847761 
1 1 1 18 34 8  o 102.842 2.9632 109.209  4.1627  104.931 4.7463 100.753 3.5489 4.178429       5.926369 
1 1 1 18 34 10 o 78.097  2.7373 63.266   2.9670  77.472  4.2857 78.723  3.4065 -1.251152      5.474670 
1 1 1 18 34 12 o 39.962  5.5805 18.910   2.9797  39.784  9.1695 40.139  6.3629 -0.3549957     11.16093 
1 1 1 18 34 14 o 47.319  4.0532 24.525   2.4917  46.074  6.9291 48.563  4.2074 -2.488201      8.106409 
1 1 1 18 34 16 o 30.094  5.9525 11.343   2.5150  29.363  9.9000 30.825  6.6120 -1.462471      11.90502 
1 1 1 18 34 18 o 25.640  6.0103 8.4015   2.6921  22.348  9.0319 28.932  7.9320 -6.583755      12.02051 
1 1 1 18 34 20 o 32.768  5.3586 13.701   2.4538  27.915  9.1373 37.622  5.6006 -9.707392      10.71713 
1 1 1 18 34 22 f 26.152  5.4287 9.3222   2.4519  20.251  8.6206 32.053  6.6005 -11.80120      10.85732 
1 1 1 18 34 24 o 48.408  4.7009 29.088   2.8698  44.639  8.1713 52.178  4.6501 -7.538597      9.401803 
1 1 1 18 35 1  o 19.841  5.7342 2.6925   2.6402  21.675  8.2628 18.006  7.9530 3.669033       11.46836 
1 1 1 18 35 3  o 27.952  6.7355 9.7091   3.0269  29.454  10.633 26.449  8.2709 3.005156       13.47092 
1 1 1 18 35 5  o 23.567  6.0471 6.0110   2.6952  28.070  9.1373 19.064  7.9235 9.005926       12.09429 
1 1 1 18 35 7  o 31.677  5.6994 12.671   2.6832  25.826  9.8219 37.527  5.7849 -11.70148      11.39888 
1 1 1 18 35 9  o 54.354  4.1923 32.396   3.2090  52.501  5.7160 56.207  6.1343 -3.706158      8.384653 
1 1 1 18 35 11 o 13.494  4.6523 -7.6121  2.7372  14.095  6.9866 12.893  6.1451 1.202075       9.304590 
1 1 1 18 35 13 o 40.292  5.0273 18.732   2.6714  41.762  8.2437 38.821  5.7565 2.940819       10.05469 
1 1 1 18 35 15 o 37.127  5.4606 18.117   2.4398  30.156  10.082 44.098  4.1989 -13.94213      10.92113 
1 1 1 18 35 17 o 23.387  5.8831 6.7435   2.4094  22.532  9.3416 24.242  7.1539 -1.709330      11.76626 
1 1 1 18 35 19 o 40.359  5.1763 21.161   2.6291  33.928  9.1850 46.791  4.7761 -12.86297      10.35253 
1 1 1 18 35 21 o 50.887  4.3381 31.301   2.8247  46.515  7.5498 55.259  4.2753 -8.743687      8.676268 
1 1 1 18 36 0  o 61.592  5.1492 40.226   6.2573  61.592  5.1492 ?       ?      0.000000       0.000000 
1 1 1 18 36 2  f 35.587  5.6472 15.535   2.7742  37.100  7.9738 34.074  7.9987 3.025925       11.29431 
1 1 1 18 36 4  o 17.041  5.3223 0.3120   2.5217  17.581  7.6812 16.501  7.3692 1.079651       10.64453 
1 1 1 18 36 6  o 23.237  6.2658 6.2361   2.7314  24.660  9.7113 21.814  7.9203 2.845324       12.53159 
1 1 1 18 36 8  o 53.770  3.7423 31.821   2.7862  51.770  5.9201 55.769  4.5796 -3.999092      7.484676 
1 1 1 18 36 10 o 35.799  5.4743 15.607   2.5781  35.251  9.2879 36.347  5.7971 -1.095554      10.94858 
1 1 1 18 36 12 o 37.126  5.4573 17.439   2.7155  32.307  9.3490 41.945  5.6324 -9.637985      10.91450 
1 1 1 18 36 14 o 40.580  5.3602 20.635   2.8483  38.544  9.0836 42.617  5.6934 -4.072239      10.72033 
1 1 1 18 36 16 o 22.488  6.2484 6.4667   2.5435  23.921  10.264 21.054  7.1288 2.867821       12.49677 
1 1 1 18 36 18 o 40.911  5.3348 20.631   2.6803  43.384  9.2513 38.439  5.3155 4.944977       10.66958 
1 1 1 18 36 20 o 23.579  6.1767 8.4842   2.6832  23.458  9.5340 23.701  7.8556 -0.2422905     12.35345 
1 1 1 18 37 1  o 15.703  5.2084 -3.0676  2.9357  15.465  7.2590 15.941  7.4709 -0.4759579     10.41671 
1 1 1 18 37 3  o 47.412  4.1887 25.349   2.8036  48.614  6.0417 46.210  5.8033 2.404266       8.377345 
1 1 1 18 37 5  o 56.965  3.6747 35.173   2.9110  61.424  5.5094 52.506  4.8642 8.917568       7.349392 
1 1 1 18 37 7  f 22.695  6.2100 6.4094   2.8324  23.503  9.0388 21.888  8.5181 1.614517       12.42008 
1 1 1 18 37 9  o 21.450  6.3087 4.1075   3.1987  27.024  10.264 15.877  7.3381 11.14762       12.61749 
1 1 1 18 37 11 f 21.057  5.8345 5.4358   2.5848  19.936  8.5575 22.178  7.9333 -2.241714      11.66910 
1 1 1 18 37 13 o 15.276  5.1905 -3.7420  3.0442  17.337  8.1854 13.215  6.3846 4.121768       10.38096 
1 1 1 18 37 15 o 18.110  5.6424 2.4168   2.7347  18.289  8.5607 17.932  7.3525 0.3570614      11.28471 
1 1 1 18 38 0  o 55.681  6.0904 34.735   6.6404  55.681  6.0904 ?       ?      0.000000       0.000000 
1 1 1 18 38 2  o 41.049  4.9583 20.809   2.7964  45.384  6.6124 36.713  7.3903 8.671337       9.916626 
1 1 1 18 38 4  o 23.294  6.5972 7.7517   3.3092  22.870  9.4513 23.718  9.2067 -0.8483353     13.19436 
1 1 1 18 38 6  o 43.647  4.6534 23.071   2.8605  44.850  6.8335 42.443  6.3183 2.406364       9.306891 
1 1 1 18 38 8  o 65.108  3.9669 49.178   3.5991  65.750  6.1180 64.466  5.0513 1.283577       7.933840 
1 1 1 18 38 10 o 41.024  5.6144 23.107   3.0411  35.611  9.6300 46.438  5.7748 -10.82734      11.22883 
1 1 1 18 38 12 o 22.795  5.8535 7.4224   2.7119  19.343  8.6539 26.246  7.8845 -6.903702      11.70706 
1 1 1 18 39 1  o 45.004  4.5830 25.273   2.7771  39.570  7.3746 50.438  5.4435 -10.86759      9.166050 
1 1 1 18 39 3  o 43.537  5.0171 23.574   2.9116  52.652  6.9123 34.421  7.2737 18.23098       10.03427 
1 1 1 19 1  0  o 535.721 4.8518 2871.74  51.974  535.721 4.8518 ?       ?      0.000000       0.000000 
1 1 1 19 1  2  o 170.374 1.6054 290.452  3.8564  169.492 2.3733 171.256 2.1625 -1.763733      3.210736 
1 1 1 19 1  4  o 222.893 1.9664 497.246  6.1928  219.183 2.8549 226.603 2.7050 -7.420532      3.932847 
1 1 1 19 1  6  o 270.476 2.0866 731.775  7.9808  270.818 2.9707 270.135 2.9309 0.6833801      4.173167 
1 1 1 19 1  8  o 232.014 1.8396 538.240  6.0256  233.237 2.6828 230.792 2.5176 2.445190       3.679105 
1 1 1 19 1  10 o 401.522 2.7100 1613.03  15.387  397.381 3.8402 405.663 3.8248 -8.281097      5.419966 
1 1 1 19 1  12 o 254.645 1.9522 649.140  7.0230  249.717 2.8382 259.573 2.6812 -9.855865      3.904375 
1 1 1 19 1  14 o 185.951 1.6148 345.833  4.2439  185.420 2.2383 186.482 2.3283 -1.062103      3.229693 
1 1 1 19 1  16 o 256.717 1.9532 659.030  7.0730  258.241 2.8681 255.193 2.6522 3.047806       3.906423 
1 1 1 19 1  18 o 149.748 1.6863 225.744  3.4375  152.763 1.9645 146.732 2.7414 6.030930       3.372622 
1 1 1 19 1  20 o 306.237 2.3526 938.002  10.062  304.788 3.0167 307.687 3.6108 -2.898285      4.705132 
1 1 1 19 1  22 o 139.423 1.5926 194.551  3.1078  139.704 2.0567 139.143 2.4321 0.5611115      3.185127 
1 1 1 19 1  24 o 125.364 1.4994 157.460  2.6402  126.666 1.9659 124.061 2.2646 2.605812       2.998843 
1 1 1 19 1  26 o 122.335 1.6989 149.285  2.9149  119.656 2.2412 125.014 2.5537 -5.358093      3.397710 
1 1 1 19 1  28 o 179.103 1.7207 320.127  4.2817  176.507 2.1705 181.698 2.6707 -5.190491      3.441457 
1 1 1 19 1  30 o 186.166 1.7941 346.946  4.6302  186.005 2.2313 186.327 2.8100 -0.3222198     3.588108 
1 1 1 19 1  32 o 104.608 1.6831 109.567  2.4885  103.423 2.3460 105.794 2.4141 -2.371231      3.366294 
1 1 1 19 1  34 o 88.390  1.8166 77.809   2.2303  85.747  2.3084 91.033  2.8056 -5.286102      3.633176 
1 1 1 19 1  36 f 85.858  1.8157 73.928   2.1987  85.995  2.6730 85.720  2.4581 0.2749176      3.631366 
1 1 1 19 1  38 o 39.635  3.2449 16.544   1.6861  43.584  3.3695 35.687  5.5465 7.897053       6.489779 
1 1 1 19 1  40 o 72.614  1.9287 53.147   1.8841  72.797  2.1928 72.431  3.1735 0.3659668      3.857384 
1 1 1 19 1  42 o 74.682  2.3805 56.848   2.3650  75.426  2.6242 73.938  3.9724 1.487953       4.760936 
1 1 1 19 1  44 o 31.499  5.2905 11.631   2.2067  34.593  4.9836 28.405  9.3338 6.188150       10.58093 
1 1 1 19 1  46 o 26.588  5.4829 8.3209   2.0691  25.254  6.5279 27.923  8.8112 -2.669077      10.96585 
1 1 1 19 1  48 o 17.837  5.0707 1.9135   2.0354  13.255  6.0447 22.418  8.1431 -9.162228      10.14137 
1 1 1 19 1  50 o 15.510  4.9559 -1.0123  2.4917  16.823  7.0944 14.197  6.9219 2.626555       9.911778 
1 1 1 19 2  1  o 155.857 1.5067 242.969  3.3190  155.549 2.1756 156.165 2.0852 -0.6154022     3.013500 
1 1 1 19 2  3  o 270.971 2.0003 734.674  7.6615  274.034 2.7727 267.907 2.8838 6.127686       4.000537 
1 1 1 19 2  5  f 181.806 1.6916 330.843  4.3334  180.400 2.5130 183.212 2.2653 -2.812653      3.383266 
1 1 1 19 2  7  o 229.478 1.8887 526.588  6.1270  227.615 2.6369 231.341 2.7048 -3.726105      3.777456 
1 1 1 19 2  9  o 475.758 3.1574 2265.23  21.205  475.531 4.6190 475.985 4.3060 -0.4542236     6.314789 
1 1 1 19 2  11 o 299.216 2.1731 895.756  9.1940  297.721 3.1097 300.711 3.0363 -2.989197      4.346238 
1 1 1 19 2  13 o 152.211 1.5409 232.418  3.2508  150.236 2.4225 154.187 1.9049 -3.950836      3.081758 
1 1 1 19 2  15 o 148.433 1.7635 219.920  3.6934  152.883 2.5476 143.984 2.4390 8.898712       3.526920 
1 1 1 19 2  17 o 287.530 2.4061 827.449  9.3556  287.582 2.7753 287.479 3.9313 0.1036682      4.812189 
1 1 1 19 2  19 o 55.793  2.0229 31.118   1.5937  54.879  2.7924 56.707  2.9275 -1.827885      4.045704 
1 1 1 19 2  21 o 99.515  1.5577 99.366   2.1409  100.676 1.9027 98.355  2.4669 2.321312       3.115398 
1 1 1 19 2  23 o 161.758 1.6107 261.049  3.6245  159.577 2.0406 163.939 2.4927 -4.361176      3.221413 
1 1 1 19 2  25 o 41.006  2.7123 16.903   1.5585  41.945  3.5012 40.066  4.1434 1.878395       5.424575 
1 1 1 19 2  27 o 126.577 1.8091 161.967  3.0674  129.931 2.0148 123.223 3.0054 6.708679       3.618264 
1 1 1 19 2  29 o 98.519  1.7642 96.950   2.4479  100.812 2.5968 96.227  2.3887 4.584335       3.528370 
1 1 1 19 2  31 o 52.975  2.3979 27.985   1.7513  51.852  2.9554 54.099  3.7768 -2.246807      4.795702 
1 1 1 19 2  33 o 25.893  4.2645 7.0046   1.7216  33.753  4.9184 18.033  6.9679 15.72031       8.528923 
1 1 1 19 2  35 o 117.393 1.7987 138.378  2.9412  118.053 2.2716 116.734 2.7896 1.319534       3.597497 
1 1 1 19 2  37 o 71.176  2.4301 51.315   2.3225  72.467  2.7314 69.884  4.0201 2.582794       4.860210 
1 1 1 19 2  39 o 30.525  4.7246 9.9424   1.9702  32.170  5.3589 28.880  7.7826 3.290283       9.449182 
1 1 1 19 2  41 o 97.892  2.0811 97.555   2.6157  99.593  2.1157 96.190  3.5845 3.403275       4.162292 
1 1 1 19 2  43 o 55.798  2.8440 31.677   2.0691  54.394  3.0520 57.201  4.7999 -2.806744      5.687990 
1 1 1 19 2  45 f 19.631  5.0692 3.2515   2.0354  22.905  7.0871 16.357  7.2499 6.548073       10.13843 
1 1 1 19 2  47 o 22.059  5.4679 5.2693   2.3188  25.340  7.2124 18.778  8.2204 6.562252       10.93590 
1 1 1 19 2  49 o 17.437  4.9508 2.1519   2.0813  20.073  7.1042 14.801  6.8974 5.271518       9.901656 
1 1 1 19 3  0  o 101.065 2.1502 102.288  4.3418  101.065 2.1502 ?       ?      0.000000       0.000000 
1 1 1 19 3  2  o 90.811  1.3949 82.581   1.7855  89.475  2.0695 92.147  1.8709 -2.672653      2.789791 
1 1 1 19 3  4  o 201.642 1.7811 406.243  5.0598  203.762 2.6322 199.523 2.4001 4.238297       3.562176 
1 1 1 19 3  6  o 261.036 2.0362 682.495  7.4958  256.533 3.0117 265.539 2.7412 -9.005798      4.072374 
1 1 1 19 3  8  o 99.700  1.4024 99.335   1.8841  99.921  2.3004 99.478  1.6046 0.4432602      2.804785 
1 1 1 19 3  10 o 178.775 1.5532 319.650  3.9265  177.079 2.1995 180.471 2.1935 -3.392380      3.106366 
1 1 1 19 3  12 o 272.561 2.0043 743.137  7.7254  270.735 2.8301 274.388 2.8390 -3.652710      4.008633 
1 1 1 19 3  14 o 177.284 1.6669 314.899  4.0092  178.157 1.9353 176.411 2.7146 1.746002       3.333821 
1 1 1 19 3  16 o 119.418 1.3655 142.610  2.2827  119.260 1.7668 119.575 2.0825 -0.3157959     2.731003 
1 1 1 19 3  18 o 164.245 1.5878 270.261  3.6489  165.669 2.0427 162.821 2.4313 2.848312       3.175511 
1 1 1 19 3  20 o 120.278 1.5491 144.992  2.5930  121.319 1.9473 119.237 2.4097 2.081673       3.098191 
1 1 1 19 3  22 o 297.864 2.2056 885.334  9.0407  294.486 2.6886 301.242 3.4973 -6.755951      4.411291 
1 1 1 19 3  24 o 164.656 1.6298 271.399  3.7141  164.921 2.0132 164.391 2.5635 0.5300446      3.259514 
1 1 1 19 3  26 f 98.279  1.4488 96.447   1.9986  96.855  1.9118 99.703  2.1774 -2.848709      2.897573 
1 1 1 19 3  28 o 144.010 1.5950 206.845  3.1533  142.170 1.9312 145.850 2.5391 -3.680115      3.190093 
1 1 1 19 3  30 o 65.009  2.0017 42.282   1.7744  64.780  2.3655 65.238  3.2298 -0.4578247     4.003425 
1 1 1 19 3  32 o 60.928  2.0586 37.298   1.7274  61.420  2.4950 60.436  3.2752 0.9844208      4.117223 
1 1 1 19 3  34 o 53.267  2.5055 28.566   1.8830  54.650  3.3882 51.884  3.6919 2.766422       5.011023 
1 1 1 19 3  36 o 71.362  2.0926 51.208   2.1071  74.136  2.8422 68.589  3.0720 5.547356       4.185118 
1 1 1 19 3  38 o 32.236  4.4711 11.350   1.8112  35.511  4.1355 28.961  7.9284 6.549513       8.942161 
1 1 1 19 3  40 o 64.911  2.5628 42.610   2.2776  64.502  3.0687 65.320  4.1055 -0.8187714     5.125618 
1 1 1 19 3  42 o 50.470  3.3429 24.805   2.0708  45.774  3.3478 55.166  5.7872 -9.391464      6.685719 
1 1 1 19 3  44 o 28.784  5.5159 9.5863   2.1727  28.373  6.2448 29.195  9.0940 -0.8223953     11.03172 
1 1 1 19 3  46 o 19.617  5.3220 3.7072   2.0587  19.637  7.0886 19.598  7.9401 0.3824234E-01  10.64397 
1 1 1 19 3  48 o 28.772  5.5401 10.304   2.2776  25.211  7.3827 32.333  8.2625 -7.122112      11.08029 
1 1 1 19 3  50 o 14.061  4.5104 -0.7085  1.9773  12.222  5.8006 15.900  6.9085 -3.678566      9.020767 
1 1 1 19 4  1  o 311.058 2.2573 967.972  9.9278  312.116 3.1504 310.000 3.2337 2.116302       4.514653 
1 1 1 19 4  3  o 128.707 1.3862 165.732  2.5217  127.492 2.0033 129.923 1.9166 -2.431252      2.772487 
1 1 1 19 4  5  o 393.155 2.7159 1543.23  15.044  401.304 3.9936 385.007 3.6817 16.29730       5.431736 
1 1 1 19 4  7  o 311.269 2.2124 969.341  9.7363  309.770 3.1743 312.767 3.0826 -2.997070      4.424769 
1 1 1 19 4  9  o 204.727 1.7343 418.956  4.9877  205.721 2.6071 203.732 2.2878 1.989044       3.468637 
1 1 1 19 4  11 o 263.482 2.0389 695.527  7.5273  266.034 2.6401 260.931 3.1077 5.103638       4.077751 
1 1 1 19 4  13 o 425.386 2.9320 1807.51  17.234  421.983 3.6163 428.789 4.6162 -6.805298      5.864028 
1 1 1 19 4  15 o 212.412 1.7191 451.254  4.9931  212.258 2.0455 212.566 2.7635 -0.3071899     3.438189 
1 1 1 19 4  17 o 229.032 1.8519 523.320  5.8797  226.217 2.3145 231.847 2.8917 -5.629807      3.703875 
1 1 1 19 4  19 o 134.414 1.6179 180.766  3.0435  134.443 2.0897 134.385 2.4707 0.5845642E-01  3.235888 
1 1 1 19 4  21 f 213.128 1.9082 450.500  5.5432  207.148 2.2809 219.108 3.0598 -11.95955      3.816437 
1 1 1 19 4  23 o 143.044 1.5393 204.007  3.0411  141.068 1.9010 145.021 2.4216 -3.952057      3.078608 
1 1 1 19 4  25 o 146.617 1.5645 215.133  3.1862  146.693 1.9587 146.541 2.4400 0.1520081      3.128916 
1 1 1 19 4  27 o 44.901  2.4658 20.208   1.5637  46.677  3.4198 43.126  3.5533 3.550701       4.931674 
1 1 1 19 4  29 o 143.118 1.5727 204.120  3.0880  140.909 1.9032 145.326 2.5043 -4.417465      3.145434 
1 1 1 19 4  31 o 97.080  1.5813 94.371   2.1709  97.277  2.2317 96.882  2.2408 0.3946228      3.162513 
1 1 1 19 4  33 o 81.491  1.5511 66.443   1.7855  78.871  2.1858 84.111  2.2015 -5.239166      3.102274 
1 1 1 19 4  35 o 96.605  1.5674 93.549   2.1347  96.714  2.1126 96.496  2.3159 0.2182083      3.134751 
1 1 1 19 4  37 o 76.812  1.8238 59.274   1.9773  76.386  2.6749 77.238  2.4800 -0.8523102     3.647654 
1 1 1 19 4  39 o 78.641  1.8846 62.481   2.0511  80.034  2.3136 77.249  2.9756 2.784973       3.769209 
1 1 1 19 4  41 o 40.552  3.2234 16.707   1.8318  37.356  4.4440 43.748  4.6704 -6.392315      6.446826 
1 1 1 19 4  43 o 62.345  2.6118 39.743   2.2702  60.896  3.3552 63.793  4.0036 -2.896713      5.223645 
1 1 1 19 4  45 o 27.624  5.7761 9.0382   2.2902  26.006  6.9748 29.242  9.2091 -3.236610      11.55228 
1 1 1 19 4  47 o 20.795  5.6827 4.4158   2.4196  18.110  7.5752 23.480  8.4729 -5.369730      11.36544 
1 1 1 19 4  49 o 27.767  4.5961 9.6877   1.8318  32.300  5.1397 23.233  7.6210 9.066612       9.192194 
1 1 1 19 5  0  o 242.169 2.8748 586.786  13.919  242.169 2.8748 ?       ?      0.000000       0.000000 
1 1 1 19 5  2  o 366.781 2.5419 1345.88  13.185  368.426 3.5874 365.137 3.6023 3.289368       5.083897 
1 1 1 19 5  4  o 400.115 2.6180 1601.71  14.813  399.372 3.7251 400.858 3.6795 -1.485718      5.235949 
1 1 1 19 5  6  o 317.310 2.3484 1006.84  10.521  319.298 3.4195 315.323 3.2196 3.974884       4.696711 
1 1 1 19 5  8  o 245.732 1.8918 603.581  6.4760  244.856 2.3991 246.608 2.9257 -1.752441      3.783571 
1 1 1 19 5  10 o 95.465  1.2903 91.533   1.7027  97.139  1.5775 93.792  2.0423 3.347351       2.580629 
1 1 1 19 5  12 o 259.400 2.0129 672.663  7.2490  258.539 2.5191 260.262 3.1402 -1.723236      4.025769 
1 1 1 19 5  14 o 352.604 2.5170 1244.07  12.246  352.430 3.0799 352.778 3.9818 -0.3480835     5.033988 
1 1 1 19 5  16 o 120.158 1.4269 144.711  2.3429  120.961 1.6892 119.356 2.3003 1.604492       2.853897 
1 1 1 19 5  18 o 233.840 1.9580 546.072  6.1782  232.530 2.2516 235.151 3.2040 -2.621140      3.916095 
1 1 1 19 5  20 o 195.202 1.7286 380.052  4.6007  193.226 2.0488 197.178 2.7849 -3.952209      3.457290 
1 1 1 19 5  22 o 177.831 1.7473 316.504  4.3344  178.021 2.2237 177.641 2.6958 0.3805389      3.494591 
1 1 1 19 5  24 o 110.178 1.4007 120.766  2.1240  107.897 1.7161 112.459 2.2143 -4.561516      2.801473 
1 1 1 19 5  26 o 209.939 1.8595 439.287  5.3842  206.369 2.2896 213.508 2.9307 -7.139236      3.719034 
1 1 1 19 5  28 o 112.545 1.8171 125.878  2.6005  110.969 1.8412 114.120 3.1332 -3.151360      3.634163 
1 1 1 19 5  30 o 50.134  2.1608 25.013   1.5218  54.137  3.0665 46.131  3.0450 8.005772       4.321536 
1 1 1 19 5  32 o 42.933  2.5287 18.533   1.5297  43.387  3.3848 42.479  3.7578 0.9082031      5.057407 
1 1 1 19 5  34 o 50.841  2.8686 26.159   2.0253  52.006  3.5605 49.676  4.4987 2.329952       5.737212 
1 1 1 19 5  36 o 66.094  2.3476 44.079   2.1409  67.102  2.8546 65.087  3.7278 2.014313       4.695252 
1 1 1 19 5  38 o 47.295  3.2400 23.127   2.0761  50.283  3.6825 44.307  5.3320 5.975655       6.480092 
1 1 1 19 5  40 o 70.685  2.3386 51.494   2.1180  73.531  2.3445 67.840  4.0471 5.691147       4.677207 
1 1 1 19 5  42 o 74.200  2.2919 55.381   2.2227  72.302  2.4727 76.099  3.8596 -3.796539      4.583771 
1 1 1 19 5  44 o 34.947  5.4368 14.365   2.6116  32.916  8.3299 36.978  6.9890 -4.062031      10.87353 
1 1 1 19 5  46 o 19.558  5.2314 3.8229   1.9986  20.220  7.2225 18.895  7.5701 1.324629       10.46286 
1 1 1 19 5  48 o 37.719  4.4370 16.304   2.1655  37.328  4.7895 38.111  7.4705 -0.7833099     8.873985 
1 1 1 19 5  50 o 14.122  4.4944 0.0541   1.8787  13.690  6.1738 14.554  6.5331 -0.8644114     8.988767 
1 1 1 19 6  1  o 523.707 3.2979 2744.94  24.421  522.313 4.7187 525.101 4.6085 -2.787109      6.595777 
1 1 1 19 6  3  o 322.130 2.3831 1038.01  10.853  316.086 3.3937 328.174 3.3465 -12.08792      4.766117 
1 1 1 19 6  5  o 275.102 2.2070 747.073  8.0884  266.095 2.4955 284.109 3.6408 -18.01416      4.413945 
1 1 1 19 6  7  o 198.182 1.7235 393.447  4.7198  199.396 2.1134 196.968 2.7230 2.427765       3.446936 
1 1 1 19 6  9  o 273.240 2.2428 748.486  8.5626  276.475 2.8637 270.005 3.4526 6.470001       4.485673 
1 1 1 19 6  11 o 560.115 3.6619 3152.56  28.294  567.968 4.4518 552.262 5.8155 15.70648       7.323830 
1 1 1 19 6  13 o 145.029 1.4485 210.378  2.8691  145.013 1.7172 145.046 2.3331 -0.3334045E-01 2.896924 
1 1 1 19 6  15 o 216.698 1.7747 471.141  5.3408  219.610 2.2097 213.786 2.7776 5.823929       3.549306 
1 1 1 19 6  17 o 464.850 3.2293 2169.31  20.751  469.105 3.9608 460.596 5.1014 8.509521       6.458544 
1 1 1 19 6  19 o 311.560 2.2709 971.013  9.8559  310.456 2.8793 312.663 3.5125 -2.207428      4.541826 
1 1 1 19 6  21 o 150.552 1.6077 226.125  3.2865  149.251 1.8823 151.854 2.6069 -2.603210      3.215482 
1 1 1 19 6  23 o 117.258 1.4714 137.905  2.4112  118.924 1.8792 115.592 2.2647 3.331673       2.942834 
1 1 1 19 6  25 o 209.358 1.9056 435.638  5.4962  203.795 2.3498 214.921 3.0006 -11.12634      3.811179 
1 1 1 19 6  27 o 159.830 1.7374 255.336  3.9141  157.024 2.3584 162.635 2.5519 -5.610443      3.474829 
1 1 1 19 6  29 o 66.146  1.8882 44.010   1.7553  69.526  2.4796 62.766  2.8484 6.760506       3.776472 
1 1 1 19 6  31 o 58.496  2.5381 34.422   2.0354  58.963  3.0321 58.028  4.0712 0.9345474      5.076271 
1 1 1 19 6  33 o 42.223  2.8336 17.334   1.5902  38.735  3.2968 45.710  4.6096 -6.975349      5.667219 
1 1 1 19 6  35 o 84.147  1.8040 71.213   2.1385  87.490  2.4084 80.805  2.6866 6.684860       3.608066 
1 1 1 19 6  37 o 86.008  1.7587 74.230   2.1347  87.179  2.5634 84.838  2.4084 2.340889       3.517308 
1 1 1 19 6  39 o 87.118  1.9054 76.390   2.2951  87.009  2.3483 87.227  3.0012 -0.2176437     3.810745 
1 1 1 19 6  41 o 48.655  3.0290 24.316   2.0707  47.420  4.5781 49.891  3.9674 -2.470951      6.057991 
1 1 1 19 6  43 o 36.012  4.2840 13.989   2.0374  35.385  4.8720 36.640  7.0479 -1.254440      8.567904 
1 1 1 19 6  45 o 39.896  4.5299 17.246   2.1844  38.102  4.3570 41.690  7.9433 -3.587898      9.059808 
1 1 1 19 6  47 o 20.534  5.0479 4.2892   2.0507  24.187  6.6571 16.881  7.5899 7.306421       10.09573 
1 1 1 19 6  49 f 20.473  5.4621 4.9897   2.0789  16.863  6.7502 24.083  8.5892 -7.219507      10.92424 
1 1 1 19 7  0  o 387.024 5.4467 1499.59  42.141  387.024 5.4467 ?       ?      0.000000       0.000000 
1 1 1 19 7  2  o 216.412 2.5090 467.596  7.5018  214.641 3.0938 218.184 3.9507 -3.543579      5.017905 
1 1 1 19 7  4  o 153.217 1.5152 233.820  3.1762  151.096 1.8171 155.338 2.4251 -4.242081      3.030383 
1 1 1 19 7  6  o 183.920 2.2038 337.865  5.0800  183.419 2.1583 184.421 3.8431 -1.001511      4.407653 
1 1 1 19 7  8  o 456.886 3.1196 2087.30  19.410  455.533 3.6724 458.239 5.0441 -2.706085      6.239298 
1 1 1 19 7  10 o 366.874 2.4473 1347.09  12.538  367.338 3.1287 366.409 3.7640 0.9285278      4.894575 
1 1 1 19 7  12 f 90.931  1.2877 83.311   1.5975  93.180  1.5075 88.681  2.0880 4.498680       2.575337 
1 1 1 19 7  14 o 240.403 1.9915 581.159  6.5439  244.524 2.3501 236.281 3.2157 8.242950       3.982960 
1 1 1 19 7  16 o 182.995 2.3434 321.778  4.8498  173.426 1.9881 192.564 4.2442 -19.13814      4.686794 
1 1 1 19 7  18 o 120.401 1.5181 145.643  2.5141  122.317 1.8270 118.485 2.4250 3.831825       3.036218 
1 1 1 19 7  20 o 19.986  3.5970 4.1623   1.0176  20.406  4.7736 19.566  5.3820 0.8399277      7.193986 
1 1 1 19 7  22 o 91.600  1.4164 83.590   1.7744  90.318  1.6967 92.883  2.2685 -2.565483      2.832824 
1 1 1 19 7  24 o 21.106  4.0862 4.5972   1.2770  23.453  5.5287 18.758  6.0184 4.695660       8.172360 
1 1 1 19 7  26 o 72.496  1.7631 51.495   1.6761  69.083  1.9409 75.910  2.9440 -6.826469      3.526225 
1 1 1 19 7  28 o 123.230 1.9001 148.932  2.9207  118.853 1.8803 127.606 3.3025 -8.752663      3.800213 
1 1 1 19 7  30 o 137.020 1.6852 187.217  3.2113  134.295 2.1395 139.745 2.6044 -5.450653      3.370497 
1 1 1 19 7  32 o 56.075  2.0473 31.059   1.5975  51.715  2.7163 60.435  3.0639 -8.719772      4.094585 
1 1 1 19 7  34 o 25.869  4.4687 6.9584   1.5975  23.333  5.9902 28.404  6.6328 -5.071339      8.937374 
1 1 1 19 7  36 o 74.978  2.0072 56.101   2.0374  73.551  2.3439 76.405  3.2592 -2.853676      4.014482 
1 1 1 19 7  38 o 92.753  2.2091 87.096   2.8506  90.724  3.4486 94.781  2.7620 -4.057213      4.418292 
1 1 1 19 7  40 o 74.183  2.4184 56.336   2.4492  76.767  2.8279 71.599  3.9238 5.168404       4.836706 
1 1 1 19 7  42 f 22.794  5.2968 5.5282   1.9052  19.768  6.7361 25.820  8.1760 -6.051943      10.59351 
1 1 1 19 7  44 f 18.560  4.9475 2.9707   1.8147  21.189  7.3677 15.931  6.6053 5.257621       9.895055 
1 1 1 19 7  46 o 22.165  5.4658 5.5995   2.0123  19.717  6.8586 24.613  8.5123 -4.896545      10.93161 
1 1 1 19 7  48 o 15.093  4.8148 -0.0813  1.9832  12.105  5.5951 18.082  7.8375 -5.976451      9.629691 
1 1 1 19 8  1  o 322.209 3.8549 1039.69  17.553  323.921 5.3222 320.498 5.5782 3.422699       7.709881 
1 1 1 19 8  3  o 387.713 3.5064 1516.77  17.673  394.435 3.6584 380.991 5.9830 13.44373       7.012857 
1 1 1 19 8  5  o 226.359 2.6893 512.914  8.3603  226.689 3.2391 226.029 4.2938 0.6605682      5.378561 
1 1 1 19 8  7  o 100.598 2.2868 100.054  2.2028  99.413  1.4772 101.784 4.3285 -2.370224      4.573616 
1 1 1 19 8  9  o 339.906 2.4699 1154.00  11.457  337.939 2.9286 341.873 3.9781 -3.933929      4.939852 
1 1 1 19 8  11 o 115.196 1.5827 133.154  2.3264  115.897 1.5977 114.495 2.7326 1.401985       3.165375 
1 1 1 19 8  13 o 313.686 2.3635 985.694  10.177  314.788 2.8397 312.584 3.7789 2.203491       4.726973 
1 1 1 19 8  15 o 368.378 2.7498 1359.03  13.880  368.779 3.2897 367.976 4.4074 0.8025208      5.499694 
1 1 1 19 8  17 o 167.361 1.6111 280.425  3.6795  167.736 1.9033 166.986 2.6001 0.7501373      3.222296 
1 1 1 19 8  19 o 182.155 1.6608 331.110  4.1594  180.417 2.0173 183.894 2.6388 -3.476593      3.321557 
1 1 1 19 8  21 o 170.726 1.6454 289.930  3.7895  167.921 1.9012 173.531 2.6860 -5.609192      3.290791 
1 1 1 19 8  23 o 98.717  1.6097 98.235   2.1469  100.862 1.8358 96.572  2.6447 4.290237       3.219425 
1 1 1 19 8  25 o 207.884 1.8705 432.612  5.3769  207.717 2.3054 208.051 2.9462 -0.3343201     3.741029 
1 1 1 19 8  27 o 63.004  2.1945 39.805   1.9344  63.268  2.8258 62.740  3.3584 0.5281181      4.389052 
1 1 1 19 8  29 o 46.472  2.3773 21.488   1.5480  44.149  3.1817 48.795  3.5331 -4.645988      4.754569 
1 1 1 19 8  31 o 102.063 1.5477 103.868  2.2183  98.700  2.0701 105.427 2.3014 -6.726944      3.095476 
1 1 1 19 8  33 o 89.571  1.8510 80.756   2.3196  91.550  2.3713 87.592  2.8429 3.958084       3.702037 
1 1 1 19 8  35 o 99.063  2.0737 97.418   2.8459  103.806 3.1985 94.320  2.6401 9.485817       4.147367 
1 1 1 19 8  37 o 86.918  1.9592 75.859   2.3599  86.389  2.4390 87.447  3.0667 -1.057808      3.918349 
1 1 1 19 8  39 o 42.878  3.2911 19.034   1.9050  44.584  3.7236 41.173  5.4278 3.410851       6.582213 
1 1 1 19 8  41 o 34.538  3.5352 12.373   1.7027  35.391  5.4124 33.685  4.5492 1.706467       7.070300 
1 1 1 19 8  43 o 26.915  5.1733 8.5522   2.0188  30.116  5.5049 23.714  8.7605 6.402517       10.34654 
1 1 1 19 8  45 o 39.355  4.0310 16.700   2.1691  37.869  4.8896 40.840  6.4101 -2.970646      8.062078 
1 1 1 19 8  47 o 17.925  5.0799 2.4075   2.0507  19.294  6.8440 16.556  7.5087 2.737688       10.15982 
1 1 1 19 8  49 o 19.593  5.4455 4.0104   2.2384  20.742  6.5866 18.444  8.6736 2.298252       10.89105 
1 1 1 19 9  0  o 116.625 3.3457 136.385  7.7898  116.625 3.3457 ?       ?      0.000000       0.000000 
1 1 1 19 9  2  o 593.430 5.7107 3516.13  47.625  614.182 8.4520 572.678 7.6820 41.50482       11.42140 
1 1 1 19 9  4  o 502.158 4.1368 2522.51  27.266  500.872 4.4490 503.444 6.9755 -2.571930      8.273535 
1 1 1 19 9  6  o 399.901 3.3013 1591.62  17.517  394.333 3.6594 405.470 5.4958 -11.13776      6.602647 
1 1 1 19 9  8  o 257.622 2.3938 665.596  7.3781  258.549 2.1485 256.695 4.2783 1.854065       4.787523 
1 1 1 19 9  10 o 279.031 3.6726 783.145  9.9494  280.422 2.3908 277.640 6.9453 2.781769       7.345240 
1 1 1 19 9  12 o 195.194 2.1018 375.827  4.9942  190.815 1.9743 199.573 3.7112 -8.758453      4.203694 
1 1 1 19 9  14 o 66.979  1.5571 45.507   1.4019  69.652  1.7417 64.306  2.5816 5.346130       3.114186 
1 1 1 19 9  16 o 144.467 1.4178 208.638  2.8222  144.077 1.7284 144.858 2.2480 -0.7808533     2.835600 
1 1 1 19 9  18 o 188.759 1.7048 353.808  4.3364  184.822 1.9692 192.696 2.7834 -7.873444      3.409518 
1 1 1 19 9  20 o 190.296 1.6875 362.291  4.4197  190.194 2.0478 190.398 2.6828 -0.2036285     3.375081 
1 1 1 19 9  22 o 75.912  1.3700 57.687   1.4658  76.376  1.8392 75.447  2.0311 0.9285202      2.740076 
1 1 1 19 9  24 o 156.640 1.5811 245.417  3.4304  156.247 1.9615 157.032 2.4803 -0.7841034     3.162199 
1 1 1 19 9  26 o 129.577 1.5354 167.602  2.7862  127.396 2.0048 131.758 2.3261 -4.362076      3.070817 
1 1 1 19 9  28 o 128.379 1.8156 165.712  3.0086  129.489 1.8738 127.270 3.1105 2.219505       3.631287 
1 1 1 19 9  30 o 116.728 1.5529 135.874  2.5141  114.562 1.9507 118.893 2.4167 -4.331261      3.105740 
1 1 1 19 9  32 f 186.583 2.1732 349.988  5.6930  184.485 3.2880 188.680 2.8426 -4.194595      4.346385 
1 1 1 19 9  34 o 29.811  4.6654 9.4690   1.8964  28.371  7.3640 31.251  5.7302 -2.880228      9.330774 
1 1 1 19 9  36 o 101.942 1.9705 104.402  2.8381  99.269  2.7658 104.616 2.8075 -5.347313      3.941049 
1 1 1 19 9  38 o 24.924  5.1252 6.6341   1.8964  23.680  6.8757 26.168  7.6024 -2.487888      10.25044 
1 1 1 19 9  40 o 29.054  4.6764 9.2789   1.8830  26.997  7.0278 31.111  6.1711 -4.114529      9.352720 
1 1 1 19 9  42 o 17.886  5.2357 1.8304   1.9581  16.389  6.3189 19.383  8.3500 -2.993071      10.47146 
1 1 1 19 9  44 o 17.616  5.1055 1.5648   2.1044  18.658  6.8213 16.573  7.5982 2.085203       10.21093 
1 1 1 19 9  46 o 24.836  5.4197 7.6059   2.1692  27.901  6.1171 21.770  8.9483 6.130865       10.83935 
1 1 1 19 9  48 o 25.935  5.3100 8.8752   2.1516  30.505  4.8142 21.366  9.4663 9.139061       10.62009 
1 1 1 19 10 1  o 287.014 3.2116 824.641  13.005  287.082 4.3593 286.947 4.7173 0.1345825      6.423135 
1 1 1 19 10 3  o 390.214 3.1410 1528.78  16.384  393.337 3.5063 387.091 5.2124 6.245972       6.281994 
1 1 1 19 10 5  o 440.429 4.3564 1942.87  27.121  445.815 6.2301 435.042 6.0909 10.77307       8.712847 
1 1 1 19 10 7  o 173.728 2.2627 301.144  5.3241  172.312 2.6309 175.144 3.6820 -2.832169      4.525391 
1 1 1 19 10 9  o 180.794 2.3848 320.852  5.1052  175.768 2.1433 185.819 4.2608 -10.05022      4.769530 
1 1 1 19 10 11 o 87.606  2.8915 75.201   2.3365  85.829  1.7854 89.383  5.5005 -3.553627      5.782999 
1 1 1 19 10 13 o 54.853  2.7156 30.722   1.4891  56.041  1.8230 53.665  5.1162 2.376377       5.431238 
1 1 1 19 10 15 o 117.477 1.9161 138.472  2.8400  118.068 1.8928 116.885 3.3322 1.183395       3.832284 
1 1 1 19 10 17 f 124.103 1.9010 153.684  3.0761  123.352 2.0188 124.854 3.2218 -1.502419      3.802044 
1 1 1 19 10 19 o 156.960 1.9339 245.304  3.9168  155.363 2.0138 158.558 3.3021 -3.194260      3.867712 
1 1 1 19 10 21 o 111.915 1.9536 124.413  2.7714  110.347 1.9674 113.483 3.3759 -3.136276      3.907283 
1 1 1 19 10 23 o 147.159 1.9208 216.095  3.8557  145.624 2.2800 148.694 3.0917 -3.069641      3.841514 
1 1 1 19 10 25 o 169.147 2.0765 284.760  4.6573  166.568 2.3000 171.727 3.4579 -5.159653      4.152919 
1 1 1 19 10 27 o 136.146 2.1309 184.548  4.0056  132.898 2.6425 139.394 3.3438 -6.496414      4.261897 
1 1 1 19 10 29 o 118.646 2.0718 140.337  3.4561  113.100 2.8227 124.191 3.0334 -11.09105      4.143578 
1 1 1 19 10 31 o 36.243  3.9864 13.180   1.7962  34.905  4.0244 37.581  6.8826 -2.675751      7.972809 
1 1 1 19 10 33 o 56.476  2.2655 31.916   1.7308  55.844  2.6297 57.107  3.6897 -1.262356      4.530928 
1 1 1 19 10 35 f 102.269 1.8167 104.904  2.4973  102.003 2.0657 102.534 2.9891 -0.5311584     3.633401 
1 1 1 19 10 37 o 28.609  4.9170 8.5560   1.7432  29.005  4.4028 28.214  8.7933 0.7908020      9.833936 
1 1 1 19 10 39 o 26.366  5.1250 7.4602   1.8784  24.954  6.1682 27.779  8.1863 -2.825651      10.25001 
1 1 1 19 10 41 o 17.320  5.0863 -0.3516  2.1246  11.512  5.5083 23.127  8.5522 -11.61440      10.17259 
1 1 1 19 10 43 o 29.352  5.4346 9.7577   2.0117  29.020  5.2536 29.684  9.5151 -0.6643124     10.86912 
1 1 1 19 10 45 o 23.078  6.1197 5.7465   2.2475  21.219  6.5606 24.938  10.333 -3.719362      12.23941 
1 1 1 19 10 47 o 15.597  5.0724 -0.6143  2.0708  10.918  5.1848 20.276  8.7197 -9.357830      10.14475 
1 1 1 19 10 49 o 28.256  5.5024 11.349   2.2230  30.956  5.7838 25.556  9.3623 5.399845       11.00479 
1 1 1 19 11 0  o 370.050 5.6279 1371.51  41.630  370.050 5.6279 ?       ?      0.000000       0.000000 
1 1 1 19 11 2  o 418.839 4.3217 1756.05  25.573  409.593 6.0329 428.085 6.1899 -18.49203      8.643492 
1 1 1 19 11 4  o 207.797 2.1473 430.072  5.9032  205.592 2.3603 210.002 3.5878 -4.409317      4.294547 
1 1 1 19 11 6  o 98.621  3.1904 92.118   2.7091  93.791  1.8381 103.451 6.1103 -9.660126      6.380797 
1 1 1 19 11 8  o 163.834 2.0801 262.918  3.6589  159.759 1.5987 167.909 3.8407 -8.150192      4.160137 
1 1 1 19 11 10 o 102.093 3.4080 107.333  2.4902  104.422 1.4675 99.764  6.6562 4.657837       6.816025 
1 1 1 19 11 12 o 194.956 2.4006 383.610  5.2191  197.098 1.9113 192.814 4.4043 4.283920       4.801155 
1 1 1 19 11 14 o 157.352 2.0197 247.005  3.6095  156.725 1.6704 157.980 3.6779 -1.254227      4.039468 
1 1 1 19 11 16 o 70.559  1.9341 47.591   1.5346  66.462  1.6332 74.656  3.5066 -8.193794      3.868244 
1 1 1 19 11 18 o 194.299 2.0918 370.841  4.6704  189.432 1.7864 199.166 3.7829 -9.734039      4.183546 
1 1 1 19 11 20 o 101.593 2.2293 97.309   2.5435  93.915  1.9037 109.271 4.0319 -15.35651      4.458698 
1 1 1 19 11 22 o 51.337  3.3058 25.466   1.8346  49.103  2.6007 53.571  6.0786 -4.468636      6.611573 
1 1 1 19 11 24 o 29.281  5.1543 8.7218   2.0585  25.893  6.6294 32.669  7.8943 -6.775936      10.30864 
1 1 1 19 11 26 f 44.669  3.3502 19.902   1.9646  43.999  3.6279 45.339  5.6332 -1.339645      6.700371 
1 1 1 19 11 28 o 46.280  3.3858 20.978   1.7801  44.727  2.8551 47.833  6.1403 -3.106617      6.771640 
1 1 1 19 11 30 o 115.031 1.9193 130.192  2.8400  110.811 2.0167 119.251 3.2661 -8.440041      3.838578 
1 1 1 19 11 32 o 44.557  3.7084 20.013   2.0140  44.365  3.4541 44.749  6.5635 -0.3841171     7.416860 
1 1 1 19 11 34 o 44.623  3.5024 20.215   1.9136  44.930  3.2686 44.315  6.1955 0.6146278      7.004866 
1 1 1 19 11 36 o 58.170  2.8368 33.905   2.1851  56.846  3.1450 59.495  4.7221 -2.648979      5.673581 
1 1 1 19 11 38 o 19.920  5.3473 3.2141   2.0354  18.213  6.9842 21.627  8.0990 -3.413946      10.69452 
1 1 1 19 11 40 o 33.608  4.4028 12.581   1.9279  36.613  4.5342 30.602  7.5484 6.011309       8.805525 
1 1 1 19 11 42 o 17.677  5.2439 1.4353   2.1907  17.703  7.0263 17.651  7.7862 0.5198479E-01  10.48780 
1 1 1 19 11 44 o 20.855  5.5630 4.3487   2.0708  20.204  6.6000 21.506  8.9570 -1.301958      11.12601 
1 1 1 19 11 46 o 15.575  4.7419 -0.3183  2.0691  17.197  6.7001 13.953  6.7119 3.244564       9.483720 
1 1 1 19 11 48 o 19.540  5.9093 3.8589   2.3280  14.599  6.2834 24.480  10.010 -9.880973      11.81870 
1 1 1 19 12 1  o 438.945 6.3525 1936.54  39.426  445.678 8.9111 432.211 9.0558 13.46652       12.70498 
1 1 1 19 12 3  o 196.629 3.4770 394.340  6.9367  200.686 2.3862 192.572 6.5319 8.113724       6.954080 
1 1 1 19 12 5  o 431.088 3.8461 1845.31  21.366  423.452 4.0109 438.723 6.5637 -15.27115      7.692178 
1 1 1 19 12 7  o 361.754 4.5839 1290.74  17.111  355.383 3.3059 368.125 8.5510 -12.74179      9.167775 
1 1 1 19 12 9  o 284.589 2.8609 806.054  9.4701  282.286 2.4655 286.893 5.1634 -4.607483      5.721783 
1 1 1 19 12 11 o 208.861 2.4891 433.573  5.5589  207.171 1.8800 210.551 4.6095 -3.379868      4.978127 
1 1 1 19 12 13 o 262.498 2.4561 688.975  7.7747  262.045 2.2417 262.950 4.3708 -0.9044189     4.912158 
1 1 1 19 12 15 o 132.889 1.5057 175.682  2.7383  130.400 1.8117 135.378 2.4054 -4.977844      3.011352 
1 1 1 19 12 17 o 289.917 2.2855 840.378  9.1058  288.607 2.7655 291.226 3.6395 -2.618195      4.570967 
1 1 1 19 12 19 o 230.040 2.1672 528.676  6.9400  227.642 2.7488 232.438 3.3513 -4.796036      4.334411 
1 1 1 19 12 21 f 171.650 1.8555 294.161  4.4741  168.334 2.4655 174.965 2.7735 -6.630722      3.710919 
1 1 1 19 12 23 o 151.738 1.7273 228.832  3.5490  148.531 2.0204 154.946 2.8022 -6.415176      3.454596 
1 1 1 19 12 25 o 96.220  1.7534 92.400   2.3003  95.244  2.0782 97.196  2.8248 -1.952095      3.506878 
1 1 1 19 12 27 o 226.314 2.1549 513.391  6.8953  222.552 3.0698 230.075 3.0250 -7.522873      4.309798 
1 1 1 19 12 29 o 157.999 1.8863 249.820  4.1987  155.215 2.5505 160.783 2.7799 -5.568054      3.772610 
1 1 1 19 12 31 o 54.951  2.1867 30.323   1.6770  54.915  2.7905 54.986  3.3675 -0.7090378E-01 4.373437 
1 1 1 19 12 33 o 37.813  3.1252 14.455   1.6577  34.281  4.6564 41.346  4.1696 -7.064640      6.250412 
1 1 1 19 12 35 o 49.240  2.8602 24.650   1.9773  47.081  4.3398 51.398  3.7268 -4.317223      5.720389 
1 1 1 19 12 37 o 14.759  4.4543 -0.2964  1.6866  17.092  6.8607 12.426  5.6828 4.666644       8.908592 
1 1 1 19 12 39 o 38.082  4.4594 16.229   2.0507  42.096  3.9436 34.068  7.9996 8.028179       8.918795 
1 1 1 19 12 41 o 16.211  5.0181 -0.2135  1.9670  11.883  5.4885 20.540  8.4025 -8.656781      10.03619 
1 1 1 19 12 43 o 23.571  5.3004 6.3850   1.9702  20.122  6.9903 27.021  7.9696 -6.898817      10.60088 
1 1 1 19 12 45 o 37.479  5.7600 16.916   2.2475  38.877  3.9417 36.081  10.825 2.795795       11.51997 
1 1 1 19 12 47 o 15.992  5.0921 -0.4252  2.3155  15.804  6.4263 16.180  7.9005 -0.3761768     10.18410 
1 1 1 19 13 0  f 204.484 4.6579 419.114  19.027  204.484 4.6579 ?       ?      0.000000       0.000000 
1 1 1 19 13 2  o 165.264 3.5581 270.180  4.6786  163.623 1.7951 166.904 6.8860 -3.281296      7.116143 
1 1 1 19 13 4  o 136.290 2.7776 183.936  3.9007  134.688 1.9911 137.893 5.1861 -3.204529      5.555176 
1 1 1 19 13 6  o 117.174 2.2143 137.937  2.6130  117.699 1.5190 116.649 4.1600 1.049553       4.428662 
1 1 1 19 13 8  o 253.765 2.7916 647.103  7.9507  255.046 2.2531 252.484 5.1084 2.561798       5.583182 
1 1 1 19 13 10 o 192.547 1.7590 370.343  4.5791  191.638 2.0324 193.456 2.8714 -1.818283      3.517939 
1 1 1 19 13 12 o 146.294 1.5817 214.515  3.2363  147.871 2.0295 144.717 2.4267 3.154266       3.163437 
1 1 1 19 13 14 o 209.581 2.0287 439.517  5.9775  209.242 2.6853 209.921 3.0416 -0.6785583     4.057412 
1 1 1 19 13 16 o 201.304 1.9541 405.497  5.5366  200.965 2.6053 201.643 2.9132 -0.6781769     3.908234 
1 1 1 19 13 18 o 190.830 1.7493 364.178  4.6302  190.212 2.1819 191.448 2.7348 -1.236191      3.498572 
1 1 1 19 13 20 o 218.537 1.8863 475.404  5.7094  213.426 2.3634 223.648 2.9406 -10.22260      3.772656 
1 1 1 19 13 22 o 158.716 1.6743 251.653  3.6739  157.371 2.0692 160.061 2.6328 -2.690506      3.348657 
1 1 1 19 13 24 o 37.434  3.2163 14.139   1.6914  39.398  4.2137 35.469  4.8605 3.929111       6.432667 
1 1 1 19 13 26 o 103.625 1.7290 106.975  2.4732  101.521 2.1384 105.729 2.7176 -4.208725      3.458028 
1 1 1 19 13 28 f 49.696  2.8008 25.025   1.9469  53.362  3.5897 46.030  4.3002 7.332363       5.601544 
1 1 1 19 13 30 o 88.289  1.9568 78.074   2.3843  87.713  2.4022 88.865  3.0896 -1.151901      3.913620 
1 1 1 19 13 32 o 105.678 1.8665 111.225  2.7155  102.888 2.2961 108.467 2.9433 -5.578186      3.733018 
1 1 1 19 13 34 o 43.492  2.7786 19.268   1.6914  46.511  3.5693 40.473  4.2595 6.037579       5.557262 
1 1 1 19 13 36 o 22.179  5.0354 5.0807   1.7787  21.392  6.8619 22.965  7.3713 -1.573200      10.07081 
1 1 1 19 13 38 o 22.174  4.9634 5.1103   1.7855  25.066  7.0774 19.282  6.9609 5.783548       9.926886 
1 1 1 19 13 40 o 51.491  3.0877 27.647   2.2348  54.777  4.0798 48.205  4.6360 6.572170       6.175487 
1 1 1 19 13 42 o 29.730  4.9357 10.344   2.0432  30.966  6.7839 28.493  7.1711 2.473257       9.871477 
1 1 1 19 13 44 f 17.416  5.7017 0.1590   2.3143  13.657  5.9585 21.175  9.7229 -7.518310      11.40347 
1 1 1 19 13 46 f 28.250  4.9929 10.573   2.0691  33.672  4.9302 22.829  8.6838 10.84321       9.985806 
1 1 1 19 14 1  o 51.651  2.6250 28.243   0.8513  53.839  0.9488 49.463  5.1635 4.375900       5.249961 
1 1 1 19 14 3  o 137.286 1.9693 189.681  3.4046  138.749 1.9328 135.822 3.4318 2.927353       3.938607 
1 1 1 19 14 5  o 122.739 1.9654 150.517  3.0276  122.423 1.9298 123.056 3.4246 -0.6334839     3.930855 
1 1 1 19 14 7  o 151.680 1.6567 230.578  3.5365  154.125 2.1957 149.235 2.4815 4.890091       3.313465 
1 1 1 19 14 9  o 164.071 1.7920 269.066  4.1257  162.814 2.3530 165.327 2.7034 -2.512985      3.584031 
1 1 1 19 14 11 o 321.186 2.4791 1036.00  10.973  324.982 3.0061 317.390 3.9430 7.592133       4.958189 
1 1 1 19 14 13 o 197.711 1.7383 390.580  4.7275  196.694 2.1100 198.728 2.7631 -2.033508      3.476660 
1 1 1 19 14 15 o 187.925 1.7488 353.418  4.5919  187.954 2.2421 187.896 2.6846 0.5793762E-01  3.497697 
1 1 1 19 14 17 o 168.362 1.6705 283.205  3.9083  167.106 2.1015 169.619 2.5974 -2.512756      3.341094 
1 1 1 19 14 19 o 138.893 1.6182 193.362  3.1345  140.007 2.0522 137.780 2.5025 2.227081       3.236374 
1 1 1 19 14 21 o 83.284  1.6308 69.571   1.9134  85.127  2.1752 81.441  2.4304 3.685867       3.261667 
1 1 1 19 14 23 o 173.249 1.7408 299.384  4.1767  170.512 2.1719 175.985 2.7211 -5.472794      3.481611 
1 1 1 19 14 25 o 152.533 1.7103 232.121  3.6089  150.217 2.1253 154.848 2.6802 -4.631424      3.420583 
1 1 1 19 14 27 o 37.034  3.7555 14.686   1.7878  28.708  6.3938 45.361  3.9413 -16.65329      7.510952 
1 1 1 19 14 29 o 123.076 1.7700 150.485  2.9797  119.370 2.1396 126.783 2.8203 -7.413773      3.540017 
1 1 1 19 14 31 o 124.169 1.8534 154.233  3.2451  120.053 2.5529 128.285 2.6877 -8.232857      3.706887 
1 1 1 19 14 33 o 42.146  2.9657 18.069   1.7507  43.539  3.8130 40.754  4.5435 2.784603       5.931468 
1 1 1 19 14 35 o 18.625  4.9644 1.8357   1.9933  21.716  6.9953 15.534  7.0462 6.182249       9.928867 
1 1 1 19 14 37 o 55.500  2.4763 30.945   1.9218  51.917  3.3206 59.082  3.6744 -7.165413      4.952548 
1 1 1 19 14 39 o 14.395  4.4976 -0.5511  1.7744  14.146  6.0610 14.644  6.6466 -0.4973631     8.995143 
1 1 1 19 14 41 o 39.192  4.0321 16.497   2.2275  38.466  5.4777 39.917  5.9184 -1.451420      8.064299 
1 1 1 19 14 43 o 20.915  4.7835 3.9116   2.0511  14.563  6.7245 27.267  6.8051 -12.70432      9.567030 
1 1 1 19 14 45 o 29.483  5.4684 11.238   2.2776  30.371  6.6972 28.595  8.6465 1.776625       10.93684 
1 1 1 19 14 47 o 25.722  5.6306 9.1369   2.1367  23.930  6.8522 27.513  8.9364 -3.582705      11.26113 
1 1 1 19 15 0  o 126.555 1.6656 160.265  4.2141  126.555 1.6656 ?       ?      0.000000       0.000000 
1 1 1 19 15 2  o 229.474 2.0343 523.997  6.4551  224.240 2.5342 234.708 3.1829 -10.46893      4.068532 
1 1 1 19 15 4  o 318.217 2.5535 1013.28  11.386  316.946 3.3240 319.488 3.8771 -2.542358      5.106984 
1 1 1 19 15 6  o 252.167 2.0926 635.889  7.1855  251.493 2.4627 252.840 3.3839 -1.346619      4.185198 
1 1 1 19 15 8  o 249.043 2.0294 621.076  6.9747  249.582 2.4815 248.504 3.2117 1.077896       4.058733 
1 1 1 19 15 10 o 81.863  1.3872 66.966   1.5733  81.477  1.7241 82.249  2.1737 -0.7724304     2.774377 
1 1 1 19 15 12 o 147.072 1.6212 217.239  3.2416  148.821 1.8878 145.323 2.6362 3.497742       3.242428 
1 1 1 19 15 14 o 163.645 1.8013 267.020  3.9874  161.912 2.0901 165.378 2.9343 -3.465500      3.602552 
1 1 1 19 15 16 o 140.213 1.5368 196.778  3.0057  140.426 1.9552 139.999 2.3716 0.4268341      3.073627 
1 1 1 19 15 18 o 285.736 2.2032 816.118  8.7852  282.754 2.8227 288.717 3.3836 -5.963409      4.406427 
1 1 1 19 15 20 o 187.540 1.7970 351.326  4.6205  186.010 2.1626 189.070 2.8705 -3.060455      3.593957 
1 1 1 19 15 22 o 150.601 1.7124 225.762  3.5846  146.617 2.1775 154.586 2.6435 -7.968506      3.424799 
1 1 1 19 15 24 o 42.703  2.8585 18.325   1.7240  41.432  4.1610 43.974  3.9204 -2.541885      5.716945 
1 1 1 19 15 26 o 44.246  2.4462 19.533   1.5218  41.592  3.3773 46.901  3.5396 -5.308720      4.892383 
1 1 1 19 15 28 o 87.143  1.8971 76.057   2.3091  86.472  2.4367 87.814  2.9084 -1.342064      3.794266 
1 1 1 19 15 30 o 18.379  5.1030 2.0809   1.9050  17.759  6.7533 18.999  7.6520 -1.240074      10.20591 
1 1 1 19 15 32 o 14.338  4.1518 0.3831   1.4047  16.448  6.2247 12.228  5.4958 4.220201       8.303650 
1 1 1 19 15 34 o 82.118  1.9267 67.484   2.2056  79.769  2.4814 84.467  2.9481 -4.697716      3.853368 
1 1 1 19 15 36 o 82.833  1.9908 69.284   2.3301  85.366  2.7675 80.300  2.8625 5.065536       3.981579 
1 1 1 19 15 38 o 55.730  2.5524 31.822   2.0067  56.407  3.7355 55.054  3.4794 1.353317       5.104877 
1 1 1 19 15 40 o 16.644  4.7312 0.4805   1.8571  11.682  5.4915 21.606  7.7058 -9.923333      9.462324 
1 1 1 19 15 42 o 16.506  5.0449 -0.1403  2.2626  19.570  7.8735 13.442  6.3097 6.127946       10.08985 
1 1 1 19 15 44 o 32.089  4.7648 12.236   2.0897  36.312  6.5714 27.865  6.9014 8.446783       9.529531 
1 1 1 19 15 46 o 18.879  5.4220 4.0810   2.2123  18.083  7.1561 19.676  8.1476 -1.593307      10.84399 
1 1 1 19 16 1  o 254.928 2.2537 650.141  7.9710  254.219 2.8130 255.636 3.5218 -1.416977      4.507319 
1 1 1 19 16 3  o 182.419 1.6936 334.853  4.2416  186.230 2.0229 178.608 2.7169 7.621872       3.387267 
1 1 1 19 16 5  f 124.175 1.4085 153.859  2.3188  123.414 1.5521 124.936 2.3509 -1.522285      2.817046 
1 1 1 19 16 7  o 166.415 1.7008 276.576  3.8557  165.433 2.0070 167.397 2.7463 -1.964462      3.401502 
1 1 1 19 16 9  o 127.685 1.6093 163.123  2.9048  130.485 2.2509 124.886 2.3007 5.599159       3.218695 
1 1 1 19 16 11 o 140.301 1.6613 195.565  3.1312  137.633 1.9021 142.968 2.7243 -5.335449      3.322596 
1 1 1 19 16 13 o 143.066 1.6073 204.301  3.1533  141.830 1.9358 144.301 2.5664 -2.470963      3.214613 
1 1 1 19 16 15 o 139.171 1.5829 193.234  3.0411  137.532 1.9499 140.809 2.4940 -3.277191      3.165762 
1 1 1 19 16 17 o 31.655  3.2560 10.280   1.4047  34.779  4.0389 28.531  5.1082 6.248230       6.512083 
1 1 1 19 16 19 o 292.805 2.2863 857.822  9.1945  291.204 2.7627 294.405 3.6436 -3.201691      4.572556 
1 1 1 19 16 21 o 198.621 1.7818 392.946  4.8813  194.687 2.1974 202.556 2.8055 -7.869003      3.563596 
1 1 1 19 16 23 o 60.045  2.1218 36.208   1.7673  60.592  2.6345 59.499  3.3267 1.092247       4.243505 
1 1 1 19 16 25 o 102.820 1.6916 105.527  2.4379  100.354 2.2269 105.285 2.5471 -4.930763      3.383298 
1 1 1 19 16 27 o 98.980  1.8689 97.856   2.6039  95.292  2.5462 102.668 2.7364 -7.376221      3.737791 
1 1 1 19 16 29 o 86.468  1.8039 75.070   2.2024  84.656  2.6398 88.281  2.4591 -3.625771      3.607745 
1 1 1 19 16 31 o 50.875  3.5234 26.447   2.3384  51.675  3.7068 50.074  5.9930 1.600639       7.046773 
1 1 1 19 16 33 o 52.318  2.5447 27.607   1.8787  50.395  3.5476 54.242  3.6492 -3.846790      5.089385 
1 1 1 19 16 35 o 56.353  2.2418 32.007   1.7787  54.248  3.0602 58.458  3.2768 -4.209724      4.483550 
1 1 1 19 16 37 o 21.582  5.4318 4.6658   2.1347  19.644  7.7435 23.520  7.6194 -3.875837      10.86358 
1 1 1 19 16 39 o 38.048  3.4989 15.099   1.8571  42.401  4.9693 33.694  4.9270 8.707253       6.997851 
1 1 1 19 16 41 o 16.780  4.8076 1.8125   1.8192  15.213  6.5926 18.347  6.9991 -3.134545      9.615105 
1 1 1 19 16 43 o 26.036  5.3525 8.4473   2.1347  22.393  7.6210 29.679  7.5179 -7.285278      10.70508 
1 1 1 19 16 45 o 21.236  6.0477 5.7289   2.6714  19.333  7.7046 23.139  9.3239 -3.806114      12.09531 
1 1 1 19 17 0  o 283.473 3.1317 804.260  17.750  283.473 3.1317 ?       ?      0.000000       0.000000 
1 1 1 19 17 2  o 66.624  1.2892 44.440   1.2132  64.708  1.8748 68.541  1.7700 -3.833466      2.578327 
1 1 1 19 17 4  o 133.318 1.5277 177.748  2.7606  133.161 1.7741 133.475 2.4875 -0.3142242     3.055374 
1 1 1 19 17 6  o 216.229 1.9176 469.862  5.7536  220.394 2.3756 212.063 3.0109 8.330841       3.835259 
1 1 1 19 17 8  o 132.471 1.5860 175.608  2.8691  132.531 1.8789 132.411 2.5557 0.1196136      3.172093 
1 1 1 19 17 10 o 186.179 1.8502 347.831  4.7444  188.051 2.2410 184.306 2.9447 3.744324       3.700431 
1 1 1 19 17 12 o 146.590 1.5678 215.465  3.1862  147.908 1.9426 145.273 2.4613 2.634521       3.135570 
1 1 1 19 17 14 o 224.006 2.0529 502.718  6.1545  224.387 2.3049 223.626 3.3977 0.7618561      4.105745 
1 1 1 19 17 16 o 160.702 1.6587 258.784  3.6739  161.339 2.0183 160.064 2.6328 1.275009       3.317407 
1 1 1 19 17 18 o 150.861 1.7288 226.963  3.6089  148.389 2.1515 153.333 2.7067 -4.944260      3.457600 
1 1 1 19 17 20 o 351.070 2.6636 1236.87  12.935  352.206 3.2813 349.934 4.1967 2.271667       5.327200 
1 1 1 19 17 22 o 241.012 1.9755 581.760  6.5439  240.629 2.3881 241.395 3.1476 -0.7661591     3.951039 
1 1 1 19 17 24 o 99.322  1.6593 98.839   2.3301  99.260  2.3157 99.384  2.3771 -0.1232681     3.318643 
1 1 1 19 17 26 o 57.850  2.6125 33.513   2.1271  60.143  3.8219 55.557  3.5627 4.585854       5.224955 
1 1 1 19 17 28 o 133.642 1.7737 178.897  3.3445  131.559 2.4267 135.726 2.5874 -4.167511      3.547322 
1 1 1 19 17 30 o 126.358 1.8577 160.047  3.3092  129.130 2.7196 123.587 2.5316 5.543907       3.715483 
1 1 1 19 17 32 o 90.952  1.9725 83.408   2.5023  91.915  2.5008 89.988  3.0510 1.927658       3.944977 
1 1 1 19 17 34 o 23.635  5.5223 5.8029   2.1540  24.347  7.4417 22.924  8.1611 1.422548       11.04461 
1 1 1 19 17 36 o 15.918  4.7908 0.5023   1.8815  15.921  6.5269 15.914  7.0149 0.7013321E-02  9.581690 
1 1 1 19 17 38 o 47.342  3.4801 23.623   2.3266  45.764  4.8832 48.919  4.9598 -3.154922      6.960295 
1 1 1 19 17 40 f 27.589  4.9693 9.0061   1.9427  27.849  6.7169 27.329  7.3254 0.5202370      9.938684 
1 1 1 19 17 42 o 19.861  5.4903 3.8345   2.3196  21.756  7.8154 17.967  7.7130 3.788790       10.98053 
1 1 1 19 17 44 o 13.631  4.4333 -2.4495  2.0993  15.642  6.7981 11.620  5.6922 4.021989       8.866522 
1 1 1 19 18 1  o 235.478 1.9368 555.022  6.4483  234.744 2.7744 236.212 2.7031 -1.468292      3.873504 
1 1 1 19 18 3  o 163.735 1.6440 268.557  3.7924  161.859 2.4458 165.611 2.1976 -3.752457      3.288058 
1 1 1 19 18 5  o 148.289 1.5530 220.021  3.2551  148.416 2.2371 148.162 2.1548 0.2548370      3.106058 
1 1 1 19 18 7  o 92.835  1.4923 85.800   1.9050  91.158  1.8211 94.512  2.3645 -3.354385      2.984554 
1 1 1 19 18 9  o 52.616  1.5873 27.687   1.1804  51.768  2.2201 53.465  2.2691 -1.696964      3.174525 
1 1 1 19 18 11 o 23.727  3.7091 5.9146   1.2098  25.321  4.7148 22.133  5.7273 3.188583       7.418258 
1 1 1 19 18 13 o 68.131  1.7617 45.907   1.6432  65.379  2.1486 70.883  2.7924 -5.503761      3.523351 
1 1 1 19 18 15 o 79.414  1.5656 62.945   1.7414  78.014  2.0461 80.814  2.3703 -2.799828      3.131267 
1 1 1 19 18 17 o 45.634  2.3745 20.855   1.5297  46.259  3.4507 45.009  3.2628 1.250019       4.749052 
1 1 1 19 18 19 o 129.775 1.7115 168.414  3.0961  128.979 2.1782 130.571 2.6407 -1.591354      3.423100 
1 1 1 19 18 21 o 77.071  1.8144 59.463   1.8841  76.930  2.0749 77.213  2.9770 -0.2822266     3.628764 
1 1 1 19 18 23 o 103.243 1.7358 105.316  2.4312  98.956  2.0648 107.530 2.7908 -8.573830      3.471585 
1 1 1 19 18 25 o 80.078  1.8076 63.898   2.0113  77.794  2.2981 82.363  2.7909 -4.568199      3.615279 
1 1 1 19 18 27 o 54.375  2.6258 29.775   1.9986  54.637  3.3890 54.113  4.0118 0.5239525      5.251667 
1 1 1 19 18 29 o 53.130  2.7346 28.605   2.0432  49.885  4.0958 56.375  3.6243 -6.489590      5.469147 
1 1 1 19 18 31 f 22.224  5.1682 4.9933   1.8787  21.961  7.5010 22.488  7.1116 -0.5267925     10.33634 
1 1 1 19 18 33 o 42.202  3.0638 18.241   1.8147  43.233  3.9876 41.172  4.6525 2.060478       6.127538 
1 1 1 19 18 35 o 25.496  4.8894 7.2543   1.8057  26.325  6.3667 24.667  7.4223 1.658058       9.778844 
1 1 1 19 18 37 o 18.208  5.2447 1.3755   2.2183  14.333  6.5163 22.082  8.2199 -7.748382      10.48945 
1 1 1 19 18 39 o 21.349  5.3890 4.7823   2.1913  24.430  7.5799 18.267  7.6622 6.163252       10.77799 
1 1 1 19 18 41 o 12.966  4.3358 -4.3137  2.1690  14.457  6.5845 11.474  5.6429 2.983051       8.671689 
1 1 1 19 18 43 o 17.883  5.2059 2.9747   2.1033  17.892  7.7480 17.874  6.9552 0.1718140E-01  10.41185 
1 1 1 19 19 0  o 145.301 2.2423 211.345  6.5127  145.301 2.2423 ?       ?      0.000000       0.000000 
1 1 1 19 19 2  o 89.119  1.4692 79.373   1.8495  86.111  2.0762 92.126  2.0792 -6.014755      2.938313 
1 1 1 19 19 4  o 205.016 1.8389 420.566  5.3298  201.329 2.6006 208.703 2.6005 -7.374390      3.677712 
1 1 1 19 19 6  o 135.461 1.6214 183.708  3.0806  135.077 2.4580 135.846 2.1151 -0.7684174     3.242762 
1 1 1 19 19 8  o 104.578 1.4978 109.492  2.1802  104.829 1.8882 104.327 2.3257 0.5024948      2.995668 
1 1 1 19 19 10 o 168.074 1.7556 282.690  4.1021  167.808 2.2069 168.339 2.7309 -0.5312195     3.511168 
1 1 1 19 19 12 o 110.262 1.6061 120.928  2.4312  107.818 1.9543 112.706 2.5493 -4.887878      3.212223 
1 1 1 19 19 14 o 159.064 1.5975 253.540  3.5471  159.942 2.0360 158.185 2.4622 1.756683       3.194955 
1 1 1 19 19 16 o 211.501 1.9750 446.720  5.7743  209.039 2.4436 213.964 3.1035 -4.924820      3.950070 
1 1 1 19 19 18 o 103.274 1.8293 106.763  2.6033  103.079 2.2300 103.469 2.9003 -0.3908768     3.658516 
1 1 1 19 19 20 o 71.225  1.7104 50.610   1.7145  73.860  2.5070 68.589  2.3273 5.270561       3.420702 
1 1 1 19 19 22 o 155.178 1.7233 241.701  3.7499  156.846 2.2390 153.509 2.6204 3.337479       3.446692 
1 1 1 19 19 24 o 88.494  1.7097 78.073   2.1156  85.668  2.2360 91.320  2.5870 -5.651390      3.419396 
1 1 1 19 19 26 o 78.424  1.8994 61.562   2.0993  76.526  2.5865 80.321  2.7823 -3.795113      3.798839 
1 1 1 19 19 28 o 81.905  1.9293 67.390   2.2329  82.673  2.7804 81.137  2.6756 1.535736       3.858674 
1 1 1 19 19 30 o 75.586  2.5172 57.301   2.6270  73.460  3.1291 77.712  3.9438 -4.252327      5.034351 
1 1 1 19 19 32 o 32.690  4.7790 11.730   2.1690  26.880  7.8359 38.500  5.4729 -11.61985      9.557994 
1 1 1 19 19 34 f 33.493  4.4886 12.533   1.9702  29.454  7.7131 37.532  4.5933 -8.078278      8.977149 
1 1 1 19 19 36 o 37.109  3.6455 14.392   1.8815  39.146  5.5457 35.072  4.7334 4.074158       7.291087 
1 1 1 19 19 38 o 26.092  5.0117 8.0792   1.9134  27.882  6.7120 24.303  7.4445 3.578568       10.02349 
1 1 1 19 19 40 o 20.877  5.2797 4.9680   1.9773  20.287  7.3360 21.468  7.5950 -1.181368      10.55942 
1 1 1 19 19 42 o 13.927  4.4856 -2.0491  2.0746  16.370  7.0058 11.484  5.6037 4.886261       8.971175 
1 1 1 19 19 44 o 13.507  4.4834 -2.2220  2.2056  13.184  6.3545 13.830  6.3264 -0.6459742     8.966713 
1 1 1 19 20 1  o 149.669 1.5691 224.207  3.3190  150.162 2.1686 149.177 2.2685 0.9855042      3.138279 
1 1 1 19 20 3  o 237.259 2.0264 562.719  6.7819  241.913 2.9561 232.606 2.7725 9.306824       4.052800 
1 1 1 19 20 5  o 245.848 2.0023 605.308  6.9574  245.076 2.8919 246.621 2.7702 -1.544525      4.004677 
1 1 1 19 20 7  o 315.692 2.4387 998.140  10.871  318.992 3.5429 312.391 3.3520 6.600677       4.877317 
1 1 1 19 20 9  o 194.576 1.7874 379.105  4.9132  194.323 2.5958 194.828 2.4579 -0.5050812     3.574847 
1 1 1 19 20 11 o 130.391 1.5825 169.700  2.8627  128.742 1.9838 132.039 2.4662 -3.296906      3.165084 
1 1 1 19 20 13 o 118.075 1.6085 139.431  2.6680  117.219 2.1244 118.931 2.4159 -1.712021      3.217083 
1 1 1 19 20 15 o 170.678 1.6862 291.237  4.0120  169.464 2.1476 171.893 2.6002 -2.428299      3.372438 
1 1 1 19 20 17 o 136.101 1.6278 185.685  3.1274  138.544 2.2122 133.658 2.3886 4.886703       3.255603 
1 1 1 19 20 19 o 31.369  3.7989 10.181   1.6276  33.964  4.6998 28.773  5.9697 5.191530       7.597700 
1 1 1 19 20 21 o 65.068  2.2172 42.173   2.0253  61.166  3.0273 68.970  3.2402 -7.804291      4.434308 
1 1 1 19 20 23 o 80.472  2.0199 64.955   2.2968  78.061  2.8628 82.884  2.8503 -4.822952      4.039835 
1 1 1 19 20 25 o 103.951 1.7805 108.213  2.6116  105.963 2.5911 101.939 2.4428 4.024094       3.561013 
1 1 1 19 20 27 o 54.591  2.4613 30.198   1.8701  55.975  3.0799 53.208  3.8401 2.767807       4.922576 
1 1 1 19 20 29 o 22.424  4.5248 4.3155   1.9500  15.210  6.9394 29.637  5.8085 -14.42704      9.049567 
1 1 1 19 20 31 o 58.659  2.3480 34.835   1.9469  57.257  3.3455 60.062  3.2955 -2.805866      4.696032 
1 1 1 19 20 33 o 65.547  2.3763 43.727   2.2024  65.028  3.3384 66.066  3.3826 -1.037453      4.752604 
1 1 1 19 20 35 o 59.583  2.9617 36.798   2.4754  59.893  4.4775 59.272  3.8781 0.6205673      5.923467 
1 1 1 19 20 37 o 48.424  3.3238 24.756   2.2303  49.238  5.1871 47.610  4.1575 1.628090       6.647622 
1 1 1 19 20 39 o 14.180  4.5501 -1.6346  2.0354  13.376  6.3835 14.985  6.4857 -1.609148      9.100248 
1 1 1 19 20 41 o 19.204  5.2929 3.8900   2.0157  21.965  8.2112 16.442  6.6809 5.522814       10.58575 
1 1 1 19 20 43 o 17.578  5.5823 1.9973   2.6516  19.847  8.8478 15.309  6.8093 4.537829       11.16467 
1 1 1 19 21 0  o 231.090 2.8192 534.684  13.025  231.090 2.8192 ?       ?      0.000000       0.000000 
1 1 1 19 21 2  o 179.657 1.7216 323.163  4.3735  180.245 2.4089 179.069 2.4603 1.175903       3.443224 
1 1 1 19 21 4  o 132.709 1.5512 176.386  2.8964  132.053 2.3209 133.366 2.0587 -1.313049      3.102382 
1 1 1 19 21 6  o 64.530  1.7614 41.687   1.5733  64.570  2.7688 64.490  2.1782 0.7948303E-01  3.522888 
1 1 1 19 21 8  o 88.637  1.5646 78.343   1.9050  89.848  2.4873 87.426  1.8989 2.422066       3.129247 
1 1 1 19 21 10 o 77.705  1.7733 60.669   1.8623  76.908  2.9058 78.502  2.0334 -1.594460      3.546585 
1 1 1 19 21 12 o 47.199  2.3911 22.246   1.5860  45.855  3.2026 48.543  3.5514 -2.688110      4.782151 
1 1 1 19 21 14 o 115.474 1.6273 133.783  2.6463  117.968 2.1650 112.981 2.4301 4.987091       3.254655 
1 1 1 19 21 16 o 104.161 1.6717 108.632  2.4479  103.865 2.2131 104.456 2.5062 -0.5908508     3.343458 
1 1 1 19 21 18 o 53.276  2.1376 28.523   1.5733  52.896  3.3799 53.656  2.6180 -0.7603378     4.275232 
1 1 1 19 21 20 f 63.654  2.1403 40.847   1.9134  66.270  2.7941 61.039  3.2428 5.231651       4.280523 
1 1 1 19 21 22 o 70.906  1.7840 50.323   1.7787  69.751  2.3801 72.062  2.6582 -2.310928      3.567976 
1 1 1 19 21 24 o 40.860  3.5365 16.882   2.0412  42.329  4.9778 39.391  5.0249 2.937981       7.073094 
1 1 1 19 21 26 o 51.270  2.3347 26.504   1.6914  50.951  3.3836 51.589  3.2179 -0.6381874     4.669438 
1 1 1 19 21 28 o 44.217  3.4323 20.007   2.1385  45.891  4.5915 42.542  5.1030 3.348690       6.864518 
1 1 1 19 21 30 o 61.699  2.3413 38.526   2.0412  62.709  3.3601 60.688  3.2615 2.020340       4.682693 
1 1 1 19 21 32 o 60.655  2.6376 37.902   2.2183  58.328  4.1598 62.981  3.2442 -4.653572      5.275270 
1 1 1 19 21 34 o 18.231  5.0391 2.3625   1.9711  16.204  7.0275 20.258  7.2239 -4.054462      10.07822 
1 1 1 19 21 36 o 35.305  3.7084 13.395   1.8495  35.756  5.3572 34.854  5.1294 0.9013214      7.416876 
1 1 1 19 21 38 o 21.716  5.0466 5.4002   1.8830  25.021  7.0815 18.410  7.1921 6.610582       10.09322 
1 1 1 19 21 40 o 22.778  5.0062 5.9888   2.1540  16.408  7.2640 29.148  6.8908 -12.74041      10.01249 
1 1 1 19 21 42 o 24.605  5.8508 8.8382   2.4196  25.523  8.0630 23.687  8.4802 1.835865       11.70157 
1 1 1 19 22 1  o 177.820 1.7654 316.696  4.4355  178.633 2.4306 177.007 2.5611 1.626190       3.530879 
1 1 1 19 22 3  o 205.860 1.8316 424.446  5.3313  204.571 2.6218 207.149 2.5584 -2.577942      3.663195 
1 1 1 19 22 5  o 109.502 1.6132 120.068  2.4754  109.318 2.4531 109.686 2.0956 -0.3682861     3.226387 
1 1 1 19 22 7  o 221.596 1.9189 490.911  5.9585  224.032 2.9071 219.160 2.5055 4.871307       3.837802 
1 1 1 19 22 9  o 330.379 2.4337 1092.91  11.330  334.170 3.5921 326.588 3.2845 7.581543       4.867405 
1 1 1 19 22 11 o 182.302 1.7842 332.980  4.5972  178.677 2.5729 185.927 2.4726 -7.250076      3.568439 
1 1 1 19 22 13 o 51.799  2.2254 26.664   1.5975  49.846  2.8181 53.751  3.4449 -3.905106      4.450716 
1 1 1 19 22 15 o 17.214  4.5306 1.7127   1.6125  14.410  6.3570 20.018  6.4572 -5.607671      9.061261 
1 1 1 19 22 17 o 124.954 1.7366 156.382  3.0529  124.231 2.3128 125.678 2.5911 -1.446381      3.473153 
1 1 1 19 22 19 o 95.350  1.6332 90.967   2.1987  98.655  2.3300 92.045  2.2892 6.609695       3.266350 
1 1 1 19 22 21 o 76.087  1.9645 58.174   2.0993  76.858  2.5753 75.315  2.9672 1.543198       3.928961 
1 1 1 19 22 23 o 25.926  5.1128 7.0194   1.9050  27.525  7.7762 24.326  6.6403 3.198767       10.22559 
1 1 1 19 22 25 o 52.861  2.8656 28.243   2.1271  52.365  3.7799 53.356  4.3080 -0.9914169     5.731248 
1 1 1 19 22 27 o 36.616  3.5766 13.728   1.8517  37.052  4.9975 36.180  5.1180 0.8718987      7.153240 
1 1 1 19 22 29 o 42.583  5.2381 18.904   2.9516  38.395  6.3193 46.771  8.3557 -8.376328      10.47623 
1 1 1 19 22 31 o 29.208  5.1154 9.7053   2.1709  24.061  7.8556 34.355  6.5542 -10.29408      10.23071 
1 1 1 19 22 33 o 25.852  5.1485 7.6785   1.9773  23.475  7.3505 28.229  7.2111 -4.754242      10.29709 
1 1 1 19 22 35 f 17.449  4.8812 2.4970   1.7855  17.361  6.9764 17.538  6.8288 -0.1768990     9.762313 
1 1 1 19 22 37 o 22.977  5.4557 6.0072   2.3091  18.749  7.9202 27.206  7.5052 -8.457127      10.91140 
1 1 1 19 22 39 o 17.779  5.2935 1.3366   2.3735  21.894  8.4376 13.663  6.3947 8.230810       10.58703 
1 1 1 19 22 41 o 14.967  4.8545 -0.4461  2.2951  13.901  6.3875 16.032  7.3119 -2.131000      9.708985 
1 1 1 19 23 0  o 350.551 3.8443 1231.16  26.945  350.551 3.8443 ?       ?      0.000000       0.000000 
1 1 1 19 23 2  o 204.648 1.9741 418.967  5.7059  200.152 2.7435 209.143 2.8392 -8.990936      3.948161 
1 1 1 19 23 4  o 134.978 1.6393 182.421  3.1287  133.630 2.3413 136.326 2.2950 -2.696350      3.278511 
1 1 1 19 23 6  f 172.378 1.8249 297.719  4.4190  171.860 2.7493 172.895 2.4005 -1.034790      3.649766 
1 1 1 19 23 8  o 82.766  1.7472 69.050   1.9702  81.012  2.8374 84.520  2.0397 -3.507584      3.494442 
1 1 1 19 23 10 o 50.617  2.6434 25.531   1.7438  51.390  4.4729 49.844  2.8182 1.545235       5.286707 
1 1 1 19 23 12 o 91.001  1.8358 82.824   2.2566  91.527  2.9997 90.476  2.1171 1.050438       3.671622 
1 1 1 19 23 14 o 55.143  2.8625 31.170   2.1409  51.575  4.7045 58.712  3.2625 -7.137539      5.725057 
1 1 1 19 23 16 o 82.428  1.7849 68.259   2.0746  79.791  2.6407 85.065  2.4019 -5.274078      3.569700 
1 1 1 19 23 18 o 158.822 1.7910 253.644  3.9475  160.700 2.2250 156.944 2.8072 3.756866       3.582035 
1 1 1 19 23 20 o 143.549 1.6063 206.485  3.2451  143.146 2.1410 143.951 2.3952 -0.8049011     3.212643 
1 1 1 19 23 22 o 18.020  5.0627 1.8025   1.9469  17.046  7.0732 18.994  7.2451 -1.948339      10.12530 
1 1 1 19 23 24 o 66.941  2.5727 45.354   2.4196  65.714  3.8865 68.168  3.3720 -2.454094      5.145421 
1 1 1 19 23 26 o 85.817  1.9492 74.180   2.3556  85.703  2.6076 85.931  2.8979 -0.2286911     3.898343 
1 1 1 19 23 28 o 61.658  3.0128 39.084   2.5383  63.033  3.5454 60.284  4.8721 2.748783       6.025587 
1 1 1 19 23 30 o 41.880  3.2913 18.270   1.9469  41.242  4.7994 42.518  4.5052 -1.275871      6.582622 
1 1 1 19 23 32 f 38.210  3.8438 15.574   2.0707  38.259  5.6742 38.161  5.1869 0.9814072E-01  7.687658 
1 1 1 19 23 34 o 14.409  4.6452 -1.4705  2.0587  14.920  6.8970 13.899  6.2245 1.021809       9.290483 
1 1 1 19 23 36 o 18.212  5.3736 2.2321   2.3196  17.685  7.6544 18.739  7.5441 -1.054415      10.74725 
1 1 1 19 23 38 o 45.227  4.2115 23.468   2.6802  43.449  6.3191 47.006  5.5692 -3.557098      8.423019 
1 1 1 19 23 40 o 25.223  5.2154 8.5580   1.9711  26.469  7.5743 23.978  7.1716 2.490705       10.43081 
1 1 1 19 24 1  o 24.424  4.6844 6.2236   1.6914  21.615  6.9985 27.233  6.2285 -5.617790      9.368791 
1 1 1 19 24 3  o 87.971  1.6940 77.491   2.1051  87.539  2.3340 88.402  2.4557 -0.8624344     3.387982 
1 1 1 19 24 5  o 109.435 1.7351 119.996  2.6756  109.222 2.5722 109.649 2.3293 -0.4269485     3.470125 
1 1 1 19 24 7  o 118.463 1.7010 140.579  2.8238  118.553 2.5852 118.373 2.2115 0.1808090      3.402073 
1 1 1 19 24 9  o 57.113  2.3404 32.626   1.8571  58.038  3.6305 56.189  2.9545 1.848373       4.680781 
1 1 1 19 24 11 o 119.181 1.5731 142.119  2.6402  120.587 2.3298 117.774 2.1144 2.813004       3.146174 
1 1 1 19 24 13 f 64.766  2.3756 42.067   2.0585  65.006  3.9289 64.527  2.6717 0.4794617      4.751238 
1 1 1 19 24 15 o 69.343  2.3276 48.087   2.1180  70.048  3.9195 68.637  2.5117 1.411423       4.655255 
1 1 1 19 24 17 o 79.556  2.0154 63.491   2.2626  78.966  2.7492 80.145  2.9477 -1.178757      4.030776 
1 1 1 19 24 19 o 157.116 1.7859 247.746  3.9423  157.495 2.3514 156.737 2.6887 0.7579041      3.571826 
1 1 1 19 24 21 o 76.726  2.2069 59.151   2.3837  78.313  3.2613 75.140  2.9741 3.172432       4.413791 
1 1 1 19 24 23 o 65.981  2.3378 43.963   2.1540  65.639  3.5992 66.324  2.9844 -0.6848602     4.675562 
1 1 1 19 24 25 o 103.279 1.8800 107.441  2.7441  102.895 2.6063 103.662 2.7102 -0.7679443     3.760010 
1 1 1 19 24 27 f 52.467  2.8701 28.309   2.0993  50.028  4.4670 54.906  3.6050 -4.877590      5.740263 
1 1 1 19 24 29 o 23.417  5.3361 5.9193   2.1409  26.807  7.0508 20.026  8.0115 6.781012       10.67226 
1 1 1 19 24 31 o 22.122  5.6097 5.1908   2.2662  20.387  7.8961 23.856  7.9703 -3.468786      11.21932 
1 1 1 19 24 33 o 24.295  5.2198 6.9854   2.0813  20.632  8.1610 27.957  6.5103 -7.325325      10.43961 
1 1 1 19 24 35 o 21.175  5.4517 5.0292   2.1409  22.212  7.3790 20.138  8.0272 2.073591       10.90349 
1 1 1 19 24 37 o 16.967  5.0830 1.8545   2.1271  17.483  7.1403 16.450  7.2363 1.032957       10.16602 
1 1 1 19 24 39 o 14.796  4.8050 -0.7194  2.2123  17.213  7.6302 12.379  5.8423 4.833951       9.610043 
1 1 1 19 25 0  o 99.942  2.7518 100.245  5.4911  99.942  2.7518 ?       ?      0.000000       0.000000 
1 1 1 19 25 2  o 119.562 1.7560 143.190  2.9660  118.396 2.4268 120.728 2.5386 -2.332718      3.511990 
1 1 1 19 25 4  o 116.210 1.5756 135.377  2.5824  115.296 2.3260 117.124 2.1261 -1.828651      3.151242 
1 1 1 19 25 6  o 97.705  1.8167 95.954   2.4640  96.472  2.8460 98.938  2.2587 -2.466461      3.633385 
1 1 1 19 25 8  o 124.577 1.7812 155.931  3.1274  120.650 2.6461 128.504 2.3850 -7.854324      3.562309 
1 1 1 19 25 10 o 154.903 1.7686 240.626  3.8416  154.707 2.6827 155.098 2.3054 -0.3908234     3.537166 
1 1 1 19 25 12 o 127.125 1.8772 162.618  3.3275  125.080 2.9097 129.169 2.3727 -4.089241      3.754491 
1 1 1 19 25 14 o 33.280  4.3874 11.374   1.7585  33.354  7.7906 33.207  4.0379 0.1469307      8.774882 
1 1 1 19 25 16 o 21.386  5.5481 3.7848   2.0691  23.283  8.7286 19.489  6.8510 3.794111       11.09614 
1 1 1 19 25 18 o 38.388  3.7136 14.990   1.9986  38.583  5.6267 38.194  4.8481 0.3888550      7.427210 
1 1 1 19 25 20 o 63.569  2.4778 41.001   2.1802  65.184  3.0366 61.955  3.9163 3.228664       4.955605 
1 1 1 19 25 22 o 64.655  2.6638 42.471   2.4246  62.460  3.9868 66.850  3.5340 -4.389660      5.327643 
1 1 1 19 25 24 o 40.939  3.7498 17.303   2.1709  40.705  5.3332 41.173  5.2726 -0.4678955     7.499592 
1 1 1 19 25 26 o 49.127  3.7881 25.524   2.5141  45.907  6.2589 52.346  4.2692 -6.439194      7.576253 
1 1 1 19 25 28 o 28.319  4.5338 9.0690   1.7855  31.542  5.6720 25.096  7.0747 6.446283       9.067675 
1 1 1 19 25 30 o 21.936  5.5841 5.0715   2.2329  23.711  8.0833 20.161  7.7063 3.550024       11.16815 
1 1 1 19 25 32 o 15.313  4.6213 0.8103   1.7089  16.821  7.0938 13.806  5.9249 3.014546       9.242669 
1 1 1 19 25 34 o 16.204  5.1423 -0.5672  2.4479  18.016  7.8236 14.392  6.6758 3.623442       10.28466 
1 1 1 19 25 36 f 16.905  5.2703 1.2703   2.3188  18.556  8.1711 15.254  6.6585 3.301740       10.54052 
1 1 1 19 25 38 o 16.975  5.3445 1.5386   2.5789  17.107  7.7867 16.842  7.3227 0.2650566      10.68905 
1 1 1 19 26 1  o 113.094 1.6986 128.266  2.7103  112.407 2.4993 113.781 2.3008 -1.374001      3.397109 
1 1 1 19 26 3  o 69.255  2.1898 48.254   2.1385  66.992  3.2406 71.518  2.9462 -4.525955      4.379655 
1 1 1 19 26 5  o 45.267  2.8422 20.580   1.8147  47.506  4.0321 43.027  4.0067 4.479706       5.684342 
1 1 1 19 26 7  o 68.635  2.2095 47.779   2.0761  66.179  3.5698 71.090  2.6047 -4.910515      4.419026 
1 1 1 19 26 9  o 86.575  1.9316 75.125   2.2566  86.817  3.1625 86.332  2.2188 0.4848404      3.863191 
1 1 1 19 26 11 o 79.774  2.1478 63.650   2.2227  80.376  3.6542 79.172  2.2581 1.204277       4.295636 
1 1 1 19 26 13 o 84.076  1.9026 71.075   2.1892  83.465  3.0600 84.686  2.2619 -1.221420      3.805219 
1 1 1 19 26 15 f 77.617  2.1979 61.419   2.2321  75.141  3.7388 80.092  2.3119 -4.950684      4.395898 
1 1 1 19 26 17 f 20.581  4.7302 3.8744   1.7308  17.191  7.2247 23.972  6.1076 -6.780758      9.460350 
1 1 1 19 26 19 o 29.707  5.2458 9.5887   2.2024  28.490  7.6721 30.924  7.1563 -2.434113      10.49163 
1 1 1 19 26 21 o 67.753  2.3326 46.419   2.2348  67.140  3.3285 68.365  3.2689 -1.225121      4.665238 
1 1 1 19 26 23 o 68.069  2.5250 47.122   2.4263  65.724  3.6917 70.414  3.4458 -4.690102      5.049919 
1 1 1 19 26 25 o 52.518  3.0903 27.812   2.2117  56.377  4.8700 48.658  3.8055 7.718975       6.180503 
1 1 1 19 26 27 o 29.134  4.5377 9.4745   1.8057  29.660  6.8130 28.607  5.9956 1.053204       9.075410 
1 1 1 19 26 29 o 22.615  5.4938 5.6455   2.1156  22.427  8.1434 22.803  7.3765 -0.3760948     10.98761 
1 1 1 19 26 31 o 25.423  5.7033 7.8422   2.3196  26.599  7.7133 24.248  8.4034 2.351000       11.40665 
1 1 1 19 26 33 o 20.674  5.6329 4.6567   2.3301  21.089  8.0455 20.259  7.8858 0.8303776      11.26571 
1 1 1 19 26 35 o 17.990  5.0923 3.1013   2.0108  20.034  7.5260 15.946  6.8620 4.087850       10.18468 
1 1 1 19 26 37 o 27.952  5.3098 10.926   2.2915  33.581  6.7021 22.324  8.2377 11.25703       10.61970 
1 1 1 19 27 0  o 87.468  2.7801 76.876   4.8526  87.468  2.7801 ?       ?      0.000000       0.000000 
1 1 1 19 27 2  o 87.322  1.9161 76.163   2.3349  89.374  2.9291 85.270  2.4710 4.103409       3.832214 
1 1 1 19 27 4  o 89.292  1.9276 80.010   2.4112  89.232  2.9338 89.352  2.5011 -0.1196747     3.855187 
1 1 1 19 27 6  o 90.300  1.9357 82.080   2.4479  88.371  2.9624 92.229  2.4923 -3.858185      3.871326 
1 1 1 19 27 8  o 89.234  2.0376 80.068   2.5285  88.484  3.1751 89.983  2.5545 -1.499641      4.075107 
1 1 1 19 27 10 o 46.278  3.5940 21.784   2.2117  45.747  6.0016 46.809  3.9557 -1.062256      7.188001 
1 1 1 19 27 12 o 60.482  2.3196 36.411   1.9279  62.947  3.6517 58.017  2.8614 4.930084       4.639222 
1 1 1 19 27 14 o 115.443 1.9939 135.007  3.0184  113.427 3.3775 117.460 2.1200 -4.033142      3.987758 
1 1 1 19 27 16 o 75.956  2.2655 58.223   2.3225  75.641  3.7142 76.271  2.5952 -0.6302490     4.530995 
1 1 1 19 27 18 o 47.497  3.5533 22.995   2.2042  47.778  6.0138 47.217  3.7864 0.5609665      7.106524 
1 1 1 19 27 20 o 47.478  3.2084 22.860   2.1156  54.422  4.3410 40.535  4.7256 13.88706       6.416844 
1 1 1 19 27 22 o 54.723  3.0943 30.684   2.3906  55.309  4.5023 54.137  4.2459 1.172169       6.188572 
1 1 1 19 27 24 o 50.390  3.1513 26.084   2.1691  52.082  5.0264 48.698  3.8024 3.384541       6.302612 
1 1 1 19 27 26 o 17.937  4.7788 1.6406   1.8787  12.817  5.9229 23.057  7.5010 -10.24073      9.557526 
1 1 1 19 27 28 o 25.059  5.4295 7.3834   2.0897  25.378  8.0677 24.740  7.2683 0.6375465      10.85894 
1 1 1 19 27 30 o 56.657  3.3056 34.093   2.6402  58.351  4.8147 54.963  4.5306 3.387825       6.611165 
1 1 1 19 27 32 o 62.714  3.0966 42.076   2.7441  62.663  4.4834 62.765  4.2726 -0.1017990     6.193223 
1 1 1 19 27 34 o 32.220  5.4003 13.600   2.4263  32.124  7.6516 32.316  7.6226 -0.1913109     10.80056 
1 1 1 19 27 36 o 20.061  5.4172 4.7913   2.3735  16.528  7.4614 23.594  7.8556 -7.065207      10.83433 
1 1 1 19 28 1  o 33.028  4.4180 11.388   2.0108  30.606  6.8483 35.450  5.5836 -4.843513      8.836038 
1 1 1 19 28 3  o 31.139  4.7097 10.346   1.9986  29.734  7.3366 32.543  5.9077 -2.808916      9.419464 
1 1 1 19 28 5  o 45.057  3.5500 20.973   2.1802  41.876  5.7941 48.238  4.1033 -6.362389      7.099924 
1 1 1 19 28 7  o 111.514 1.9121 125.091  2.9792  110.753 2.9402 112.275 2.4454 -1.521690      3.824234 
1 1 1 19 28 9  o 50.779  3.2335 26.206   2.1655  50.496  5.4372 51.061  3.5013 -0.5645828     6.466984 
1 1 1 19 28 11 o 116.119 1.8925 135.442  3.0701  116.585 2.9027 115.653 2.4292 0.9312592      3.785028 
1 1 1 19 28 13 o 83.212  2.4310 69.932   2.6157  82.990  4.1546 83.435  2.5254 -0.4455719     4.861966 
1 1 1 19 28 15 f 105.478 2.1437 111.854  3.0674  106.412 3.4802 104.544 2.5041 1.867729       4.287445 
1 1 1 19 28 17 f 34.422  4.8027 13.220   2.0987  30.455  8.4909 38.389  4.4908 -7.933893      9.605385 
1 1 1 19 28 19 o 39.004  4.9165 14.287   2.1232  45.479  8.7353 32.529  4.5147 12.95095       9.832986 
1 1 1 19 28 21 o 20.690  5.2362 3.5642   2.1385  16.361  7.1150 25.020  7.6843 -8.658773      10.47244 
1 1 1 19 28 23 o 31.011  4.4849 11.028   1.8181  26.779  7.8454 35.243  4.3481 -8.464392      8.969764 
1 1 1 19 28 25 o 20.285  5.5324 3.7105   2.2626  22.066  8.1305 18.504  7.5049 3.562136       11.06473 
1 1 1 19 28 27 o 18.438  5.4190 2.1071   2.3625  16.874  7.3799 20.003  7.9373 -3.128523      10.83808 
1 1 1 19 28 29 o 14.672  4.8227 -2.3531  2.3429  15.767  7.3069 13.577  6.2964 2.190001       9.645459 
1 1 1 19 28 31 o 16.149  5.0926 0.0518   2.3607  15.621  7.0249 16.677  7.3750 -1.055999      10.18523 
1 1 1 19 28 33 o 19.075  5.5984 3.1135   2.6574  16.683  7.6626 21.467  8.1641 -4.783951      11.19674 
1 1 1 19 29 0  o 25.734  9.2454 8.9391   4.3418  25.734  9.2454 ?       ?      0.000000       0.000000 
1 1 1 19 29 2  f 69.819  2.3945 48.485   2.3003  73.290  3.7462 66.349  2.9833 6.940994       4.788914 
1 1 1 19 29 4  o 88.497  2.1506 78.776   2.6574  88.908  3.3035 88.085  2.7545 0.8233871      4.301251 
1 1 1 19 29 6  o 69.043  2.4361 48.316   2.3556  66.698  3.7335 71.387  3.1305 -4.689461      4.872259 
1 1 1 19 29 8  o 49.781  3.5016 25.782   2.3735  45.718  5.7261 53.844  4.0319 -8.125519      7.003160 
1 1 1 19 29 10 o 34.692  4.8179 12.685   2.2348  34.847  7.8797 34.537  5.5462 0.3094940      9.635849 
1 1 1 19 29 12 o 43.587  4.0014 19.804   2.2227  42.325  6.9394 44.849  3.9863 -2.523815      8.002882 
1 1 1 19 29 14 o 47.238  4.1253 24.759   2.2067  42.033  7.5674 52.443  3.2873 -10.41016      8.250596 
1 1 1 19 29 16 o 43.688  4.3183 20.740   2.2902  40.562  7.6777 46.814  3.9553 -6.252243      8.636637 
1 1 1 19 29 18 o 36.438  5.6708 15.195   2.5798  33.366  10.175 39.510  5.0097 -6.144566      11.34159 
1 1 1 19 29 20 o 48.855  3.8599 25.055   2.3242  48.842  6.7979 48.869  3.6584 -0.2750778E-01 7.719829 
1 1 1 19 29 22 o 59.226  2.9749 36.287   2.4640  60.924  4.5066 57.528  3.8846 3.395592       5.949762 
1 1 1 19 29 24 o 51.399  2.8652 27.120   2.0157  53.357  4.5473 49.441  3.4869 3.916187       5.730308 
1 1 1 19 29 26 o 20.663  5.2842 4.1017   2.1385  16.511  7.0918 24.814  7.8355 -8.302277      10.56831 
1 1 1 19 29 28 o 21.962  5.4805 4.4162   2.5217  28.245  8.2837 15.679  7.1779 12.56598       10.96095 
1 1 1 19 29 30 o 27.878  5.8777 10.329   2.8324  34.758  7.8935 20.999  8.7110 13.75928       11.75544 
1 1 1 19 29 32 o 23.585  5.4290 7.5344   2.0746  23.539  7.7392 23.631  7.6158 -0.9218597E-01 10.85800 
1 1 1 19 30 1  o 41.821  4.2730 18.406   2.4246  47.082  5.2890 36.560  6.7128 10.52268       8.546029 
1 1 1 19 30 3  o 49.174  3.2165 24.624   2.2275  49.510  4.7717 48.839  4.3143 0.6716118      6.432914 
1 1 1 19 30 5  o 59.916  2.7110 36.230   2.2827  62.137  4.0075 57.695  3.6520 4.441528       5.421979 
1 1 1 19 30 7  o 57.265  3.1485 33.164   2.5285  60.829  4.6185 53.700  4.2804 7.128830       6.297068 
1 1 1 19 30 9  f 53.172  3.0833 28.833   2.1655  53.069  5.1736 53.275  3.3558 -0.2068176     6.166655 
1 1 1 19 30 11 o 48.959  3.5342 24.139   2.2902  51.356  5.8435 46.562  3.9768 4.793297       7.068332 
1 1 1 19 30 13 f 26.636  5.6268 7.7511   2.2902  24.472  9.1352 28.799  6.5721 -4.327045      11.25365 
1 1 1 19 30 15 o 31.192  5.9992 11.242   2.7396  29.052  8.9836 33.332  7.9535 -4.279444      11.99844 
1 1 1 19 30 17 o 41.285  4.5423 18.479   2.4053  41.217  7.7213 41.353  4.7865 -0.1362381     9.084580 
1 1 1 19 30 19 o 67.022  2.9235 45.980   2.5480  68.346  4.9514 65.698  3.1100 2.647690       5.847088 
1 1 1 19 30 21 o 17.636  5.2569 1.7008   1.8137  20.703  8.7570 14.569  5.8185 6.133712       10.51376 
1 1 1 19 30 23 o 23.632  5.6461 6.6171   2.2626  22.308  8.1391 24.957  7.8273 -2.649366      11.29212 
1 1 1 19 30 25 o 30.921  5.1824 11.464   2.2056  30.778  8.0133 31.064  6.5737 -0.2855911     10.36472 
1 1 1 19 30 27 o 16.984  5.1617 1.3974   2.2329  17.378  7.4336 16.590  7.1632 0.7880764      10.32332 
1 1 1 19 30 29 o 17.196  5.2454 1.7508   2.3188  17.083  7.7786 17.309  7.0392 -0.2266693     10.49082 
1 1 1 19 30 31 o 20.809  5.6734 5.7914   2.3607  21.640  8.1833 19.978  7.8602 1.661936       11.34678 
1 1 1 19 31 0  o 236.509 3.1599 562.906  14.941  236.509 3.1599 ?       ?      0.000000       0.000000 
1 1 1 19 31 2  o 166.240 1.9293 278.807  4.5298  165.815 2.8110 166.665 2.6434 -0.8498077     3.858691 
1 1 1 19 31 4  f 38.107  4.5535 15.384   2.3837  42.110  6.0651 34.104  6.7936 8.005726       9.107057 
1 1 1 19 31 6  f 151.900 2.0955 233.149  4.4994  155.333 2.9596 148.468 2.9674 6.865189       4.191044 
1 1 1 19 31 8  o 152.102 2.0934 233.970  4.4994  151.730 3.0299 152.474 2.8895 -0.7442474     4.186775 
1 1 1 19 31 10 o 36.263  5.0565 15.077   2.2902  31.436  9.0535 41.089  4.5065 -9.653227      10.11306 
1 1 1 19 31 12 o 55.031  3.4806 31.622   2.4621  54.421  5.9837 55.640  3.5574 -1.219154      6.961285 
1 1 1 19 31 14 o 76.252  2.9863 59.811   3.1988  80.364  4.3698 72.140  4.0714 8.223946       5.972606 
1 1 1 19 31 16 o 66.530  2.9053 45.316   2.5297  67.849  4.8935 65.210  3.1333 2.639519       5.810676 
1 1 1 19 31 18 o 59.287  3.7453 37.377   2.6803  58.312  6.6794 60.261  3.3906 -1.949303      7.490686 
1 1 1 19 31 20 o 65.204  3.1569 43.601   2.5798  67.741  5.4669 62.667  3.1585 5.074104       6.313720 
1 1 1 19 31 22 f 47.816  3.8473 24.983   2.2754  46.018  6.7988 49.614  3.6034 -3.595993      7.694654 
1 1 1 19 31 24 o 29.816  5.4938 11.110   2.3625  32.516  7.4256 27.116  8.0987 5.400574       10.98764 
1 1 1 19 31 26 o 33.653  5.0360 13.950   2.3556  28.802  8.2316 38.504  5.8041 -9.701237      10.07203 
1 1 1 19 31 28 o 16.613  5.0871 1.3482   2.2275  18.749  7.7503 14.478  6.5915 4.270298       10.17422 
1 1 1 19 31 30 o 19.188  5.7466 3.7945   2.8263  17.675  8.1609 20.700  8.0928 -3.024733      11.49319 
1 1 1 19 32 1  f 69.009  2.7472 48.611   2.6756  67.464  3.7858 70.555  3.9819 -3.090866      5.494311 
1 1 1 19 32 3  o 36.756  5.0982 15.005   2.5540  37.547  7.0616 35.966  7.3552 1.581600       10.19636 
1 1 1 19 32 5  o 32.476  5.8665 12.127   2.6502  32.670  9.1917 32.281  7.2921 0.3884621      11.73295 
1 1 1 19 32 7  o 29.952  5.3826 10.307   2.2543  29.324  8.4593 30.580  6.6581 -1.255678      10.76527 
1 1 1 19 32 9  o 32.620  5.9368 12.731   2.7606  29.338  9.7149 35.903  6.8264 -6.565271      11.87352 
1 1 1 19 32 11 o 34.314  5.0715 13.204   2.2986  33.410  8.5613 35.217  5.4391 -1.807861      10.14295 
1 1 1 19 32 13 o 52.094  3.9085 29.344   2.5971  49.861  6.7870 54.328  3.8784 -4.466137      7.816979 
1 1 1 19 32 15 o 50.854  3.6082 28.102   2.3650  47.055  6.2419 54.654  3.6216 -7.598850      7.216467 
1 1 1 19 32 17 o 39.436  5.9798 19.154   2.7191  35.603  11.050 43.270  4.5745 -7.666325      11.95960 
1 1 1 19 32 19 o 21.218  6.1903 3.6621   2.7875  24.698  9.8905 17.739  7.4470 6.959593       12.38060 
1 1 1 19 32 21 o 35.140  5.2755 14.154   2.3609  39.007  8.5805 31.273  6.1399 7.734053       10.55095 
1 1 1 19 32 23 o 21.864  5.9465 4.8511   2.5109  27.239  9.5931 16.490  7.0297 10.74861       11.89306 
1 1 1 19 32 25 o 24.307  5.5947 7.7805   2.1469  26.300  8.5186 22.315  7.2550 3.985226       11.18938 
1 1 1 19 32 27 o 49.843  3.5820 28.172   2.5185  52.597  4.9772 47.089  5.1527 5.508583       7.163976 
1 1 1 19 33 0  o 12.796  7.9995 1.5324   4.0864  12.796  7.9995 ?       ?      0.000000       0.000000 
1 1 1 19 33 2  o 19.563  5.7059 2.3625   2.5540  19.501  8.0597 19.626  8.0789 -0.1242943     11.41174 
1 1 1 19 33 4  o 63.516  3.0909 41.657   2.7478  65.971  4.6457 61.061  4.0781 4.909367       6.181759 
1 1 1 19 33 6  o 67.839  2.7400 47.551   2.6039  67.209  4.1801 68.468  3.5437 -1.258812      5.480092 
1 1 1 19 33 8  o 69.196  2.8906 49.892   2.7964  67.402  4.4523 70.990  3.6876 -3.587799      5.781170 
1 1 1 19 33 10 o 64.761  3.4972 44.431   3.1912  62.568  5.2046 66.955  4.6728 -4.386978      6.994490 
1 1 1 19 33 12 o 53.337  4.6353 29.593   3.2146  59.466  7.6234 47.207  5.2750 12.25937       9.270519 
1 1 1 19 33 14 o 56.173  3.7349 33.478   2.6335  57.042  6.4923 55.303  3.6946 1.738754       7.469883 
1 1 1 19 33 16 o 55.802  3.4848 34.421   2.5193  49.873  6.0172 61.732  3.5167 -11.85871      6.969502 
1 1 1 19 33 18 o 46.224  4.7746 24.893   2.4545  42.893  8.7878 49.556  3.7365 -6.662792      9.549145 
1 1 1 19 33 20 o 49.628  4.3419 27.541   2.7875  50.026  7.4028 49.230  4.5394 0.7958717      8.683739 
1 1 1 19 33 22 o 22.655  6.4169 6.3467   2.9767  23.578  9.9492 21.731  8.1067 1.847359       12.83371 
1 1 1 19 33 24 o 33.765  5.8812 15.490   2.5681  31.094  10.522 36.436  5.2572 -5.342585      11.76236 
1 1 1 19 33 26 o 37.997  4.9485 18.459   2.4966  36.681  8.2131 39.313  5.5222 -2.631142      9.896913 
1 1 1 19 34 1  o 23.989  6.3989 6.1338   2.9687  23.596  9.0487 24.382  9.0502 -0.7855301     12.79785 
1 1 1 19 34 3  o 17.587  5.5744 -0.7806  2.7979  19.390  8.5289 15.783  7.1803 3.607295       11.14889 
1 1 1 19 34 5  f 30.221  6.0110 11.060   2.6802  29.341  8.7241 31.101  8.2716 -1.759581      12.02199 
1 1 1 19 34 7  o 57.960  3.8175 36.046   3.1169  59.015  5.6260 56.905  5.1615 2.110455       7.634984 
1 1 1 19 34 9  o 63.011  3.9288 43.351   3.3083  61.497  6.5411 64.524  4.3540 -3.027100      7.857683 
1 1 1 19 34 11 o 31.237  6.2347 12.200   2.7785  31.500  9.9677 30.974  7.4921 0.5263386      12.46941 
1 1 1 19 34 13 o 21.507  5.9751 4.5547   2.4689  22.438  9.5109 20.576  7.2352 1.861778       11.95015 
1 1 1 19 34 15 o 21.123  5.7736 3.5155   2.7043  26.531  9.0374 15.715  7.1876 10.81595       11.54718 
1 1 1 19 34 17 o 20.023  5.9557 3.1992   2.7503  20.413  9.1974 19.633  7.5690 0.7804680      11.91137 
1 1 1 19 34 19 o 54.452  4.5631 34.788   2.9207  50.947  8.2715 57.958  3.8559 -7.010265      9.126118 
1 1 1 19 34 21 f 30.129  6.1887 12.277   2.5642  32.999  10.092 27.259  7.1663 5.739922       12.37748 
1 1 1 19 34 23 o 19.939  6.2026 3.9083   3.2558  20.054  9.5520 19.824  7.9150 0.2300835      12.40514 
1 1 1 19 35 0  o 12.695  8.4690 -0.2554  5.6188  12.695  8.4690 ?       ?      0.000000       0.000000 
1 1 1 19 35 2  o 19.946  6.0803 1.4920   3.2216  21.898  8.9657 17.994  8.2155 3.903475       12.16050 
1 1 1 19 35 4  o 27.450  5.6659 9.1822   2.6186  33.529  7.2512 21.371  8.7080 12.15798       11.33179 
1 1 1 19 35 6  o 20.459  6.0451 3.2703   2.5818  22.682  9.7307 18.236  7.1753 4.445826       12.09011 
1 1 1 19 35 8  o 19.431  5.9445 1.8168   2.9226  19.793  8.9758 19.069  7.7964 0.7243481      11.88902 
1 1 1 19 35 10 o 30.259  6.2185 12.023   2.8483  27.873  9.8657 32.646  7.5726 -4.772833      12.43691 
1 1 1 19 35 12 o 22.021  6.2225 5.2412   2.9344  21.592  9.1660 22.449  8.4181 -0.8565178     12.44505 
1 1 1 19 35 14 o 21.343  6.0541 4.8186   2.7016  21.696  9.2757 20.990  7.7828 0.7054520      12.10829 
1 1 1 19 35 16 o 26.175  6.4147 9.6066   2.9586  24.132  10.140 28.219  7.8590 -4.086935      12.82939 
1 1 1 19 35 18 o 34.751  6.2626 17.240   2.9224  30.797  11.199 38.705  5.6089 -7.907572      12.52518 
1 1 1 19 35 20 o 33.360  5.4501 16.520   2.3900  24.992  10.087 41.728  4.1314 -16.73623      10.90020 
1 1 1 19 36 1  o 20.829  6.0908 2.7729   3.1913  18.479  8.6709 23.178  8.5560 -4.699224      12.18156 
1 1 1 19 36 3  o 24.463  6.2796 7.5880   2.8080  24.991  8.9899 23.934  8.7702 1.057304       12.55927 
1 1 1 19 36 5  o 24.023  6.2975 7.1154   2.7606  26.504  9.6510 21.542  8.0927 4.961609       12.59498 
1 1 1 19 36 7  o 18.278  5.7131 1.1072   2.8964  19.176  8.3960 17.379  7.7503 1.796867       11.42628 
1 1 1 19 36 9  o 20.185  6.0919 3.2518   3.0227  20.595  9.0425 19.775  8.1656 0.8194580      12.18373 
1 1 1 19 36 11 o 17.600  5.4875 1.4078   2.4917  19.715  8.6011 15.485  6.8169 4.230808       10.97495 
1 1 1 19 36 13 o 19.175  5.7614 2.9896   2.8506  17.339  7.9406 21.012  8.3498 -3.673428      11.52271 
1 1 1 19 36 15 o 34.285  5.8070 17.383   3.0380  25.092  10.104 43.478  5.7274 -18.38634      11.61398 
1 1 1 19 36 17 f 49.636  4.4706 29.676   2.7545  47.776  7.8850 51.496  4.2157 -3.719265      8.941229 
1 1 1 19 37 0  o 84.685  4.0919 74.705   6.8958  84.685  4.0919 ?       ?      0.000000       0.000000 
1 1 1 19 37 2  o 61.964  3.4493 42.538   2.7785  59.467  5.9055 64.462  3.5658 -4.995693      6.898530 
1 1 1 19 37 4  o 22.548  6.4282 6.5638   3.1721  22.050  9.2532 23.046  8.9257 -0.9959354     12.85648 
1 1 1 19 37 6  o 20.442  5.8322 4.6483   2.6952  18.555  8.1710 22.328  8.3242 -3.772367      11.66434 
1 1 1 19 37 8  o 46.258  4.3051 25.025   2.7731  47.196  6.6291 45.319  5.4947 1.876709       8.610264 
1 1 1 19 37 10 o 70.324  3.3282 55.179   3.2251  67.187  5.3219 73.461  3.9982 -6.274345      6.656464 
1 1 1 19 37 12 o 56.502  3.6721 36.001   2.8691  59.773  5.6615 53.231  4.6780 6.542030       7.344134 
1 1 1 19 37 14 o 16.416  5.2864 0.9936   2.4294  18.793  8.4477 14.039  6.3577 4.753935       10.57279 
1 1 1 19 38 1  o 40.346  5.4612 21.581   3.0010  38.906  7.9879 41.786  7.4494 -2.880512      10.92248 
1 1 1 19 38 3  o 19.319  5.8114 3.9529   2.7595  20.964  8.7047 17.674  7.7019 3.290018       11.62288 
1 1 1 19 38 5  o 23.191  6.4547 8.1516   3.1762  21.950  9.4564 24.432  8.7880 -2.482477      12.90935 
1 1 1 19 38 7  o 32.962  6.0371 15.706   2.8123  33.550  9.0971 32.373  7.9391 1.176670       12.07425 
1 1 1 19 38 9  o 35.768  6.5879 19.914   3.3298  33.840  10.561 37.696  7.8781 -3.856236      13.17585 
1 1 1 20 1  1  o 332.958 2.5900 1109.09  12.194  333.790 3.6919 332.125 3.6335 1.665070       5.179985 
1 1 1 20 1  3  o 610.580 3.9716 3732.58  34.287  619.715 5.5637 601.444 5.6690 18.27161       7.943118 
1 1 1 20 1  5  o 316.144 2.2634 999.431  10.115  311.431 3.1779 320.858 3.2238 -9.426300      4.526762 
1 1 1 20 1  7  o 675.082 4.2473 4564.18  40.535  675.548 6.0963 674.616 5.9154 0.9323730      8.494563 
1 1 1 20 1  9  o 579.271 3.6210 3358.30  29.626  583.331 5.2540 575.211 4.9841 8.119873       7.241916 
1 1 1 20 1  11 o 256.801 2.0230 659.475  7.3289  258.102 2.9686 255.500 2.7489 2.601120       4.045909 
1 1 1 20 1  13 o 225.523 1.8477 508.519  5.8298  226.294 2.8216 224.753 2.3864 1.541061       3.695406 
1 1 1 20 1  15 o 269.605 2.0206 728.032  7.6928  263.753 2.9534 275.456 2.7584 -11.70337      4.041231 
1 1 1 20 1  17 o 66.335  1.7864 43.615   1.5987  68.060  2.9082 64.609  2.0754 3.451599       3.572813 
1 1 1 20 1  19 o 170.688 1.8023 291.839  4.1407  171.194 2.0513 170.181 2.9640 1.012436       3.604627 
1 1 1 20 1  21 o 49.161  2.0585 24.507   1.3931  46.430  3.3005 51.892  2.4609 -5.462421      4.116926 
1 1 1 20 1  23 o 41.459  2.5032 17.129   1.4575  39.924  3.3585 42.993  3.7128 -3.068577      5.006474 
1 1 1 20 1  25 o 115.129 1.5496 131.747  2.4894  111.090 2.0117 119.168 2.3575 -8.077858      3.099153 
1 1 1 20 1  27 o 106.095 1.5839 112.308  2.3193  104.755 1.9505 107.434 2.4961 -2.678947      3.167815 
1 1 1 20 1  29 o 73.545  1.5972 54.140   1.6577  73.461  2.1729 73.629  2.3414 -0.1677628     3.194349 
1 1 1 20 1  31 o 100.874 1.6388 101.442  2.2951  98.774  2.0686 102.974 2.5423 -4.199928      3.277529 
1 1 1 20 1  33 o 105.071 1.6833 110.555  2.4640  104.639 2.1357 105.502 2.6024 -0.8626709     3.366542 
1 1 1 20 1  35 o 93.754  1.8561 88.205   2.4545  94.140  2.5095 93.368  2.7354 0.7721863      3.712181 
1 1 1 20 1  37 f 60.450  2.4997 36.698   2.1271  63.419  3.6245 57.482  3.4435 5.937420       4.999434 
1 1 1 20 1  39 o 51.002  2.5994 26.629   1.7520  52.440  2.8005 49.564  4.3800 2.875244       5.198743 
1 1 1 20 1  41 o 71.983  2.0620 53.124   1.9933  74.944  2.3003 69.021  3.4228 5.923798       4.123991 
1 1 1 20 1  43 o 25.201  4.8801 7.0560   1.8701  19.670  6.9747 30.733  6.8277 -11.06343      9.760285 
1 1 1 20 1  45 o 30.604  5.5569 11.056   2.3188  27.516  6.9544 33.692  8.6691 -6.175941      11.11379 
1 1 1 20 1  47 o 22.029  5.4981 5.7751   2.1004  20.267  7.2242 23.791  8.2902 -3.524422      10.99616 
1 1 1 20 1  49 o 19.855  5.7203 3.3433   2.5386  13.951  6.4406 25.759  9.4554 -11.80841      11.44053 
1 1 1 20 2  0  o 496.332 4.5678 2465.01  45.334  496.332 4.5678 ?       ?      0.000000       0.000000 
1 1 1 20 2  2  o 307.045 2.2939 943.075  9.9590  307.802 3.2775 306.288 3.2104 1.514954       4.587898 
1 1 1 20 2  4  o 183.705 1.6853 337.162  4.3549  185.423 2.5138 181.987 2.2455 3.435730       3.370615 
1 1 1 20 2  6  o 215.334 1.7930 463.810  5.4575  215.333 2.5797 215.335 2.4907 -0.2014160E-02 3.585908 
1 1 1 20 2  8  o 299.579 2.1928 897.865  9.2901  299.558 3.0907 299.599 3.1115 -0.4174805E-01 4.385646 
1 1 1 20 2  10 o 148.673 1.6120 220.791  3.3648  150.108 2.4246 147.237 2.1249 2.871567       3.223946 
1 1 1 20 2  12 o 210.126 1.7521 441.862  5.2036  206.980 2.5296 213.271 2.4250 -6.290909      3.504215 
1 1 1 20 2  14 o 294.463 2.1259 868.093  8.8340  292.213 3.1246 296.713 2.8836 -4.500183      4.251878 
1 1 1 20 2  16 o 255.929 2.0283 655.372  7.2494  255.832 2.5956 256.026 3.1174 -0.1940765     4.056521 
1 1 1 20 2  18 f 76.506  1.7549 57.996   1.8181  74.345  2.0612 78.668  2.8408 -4.322990      3.509777 
1 1 1 20 2  20 o 94.860  1.5549 89.974   2.0511  94.596  1.9574 95.124  2.4164 -0.5285873     3.109783 
1 1 1 20 2  22 o 125.695 1.6285 157.872  2.8222  125.045 1.9914 126.345 2.5774 -1.300552      3.257074 
1 1 1 20 2  24 o 85.667  1.4861 72.751   1.7308  83.254  1.7640 88.080  2.3922 -4.826309      2.972245 
1 1 1 20 2  26 o 59.152  1.9895 35.101   1.6577  58.124  2.9660 60.181  2.6524 -2.057808      3.979028 
1 1 1 20 2  28 o 154.426 1.7367 238.195  3.6979  153.005 2.1283 155.847 2.7450 -2.841400      3.473405 
1 1 1 20 2  30 o 108.492 1.5815 117.463  2.4112  105.767 2.1129 111.218 2.3538 -5.451370      3.163050 
1 1 1 20 2  32 o 66.595  2.0092 44.611   1.8787  68.187  2.6219 65.003  3.0450 3.183800       4.018318 
1 1 1 20 2  34 o 167.197 1.8169 280.058  4.2313  166.182 2.3053 168.212 2.8089 -2.030731      3.633797 
1 1 1 20 2  36 o 90.822  1.8924 83.430   2.3599  93.395  2.2561 88.249  3.0388 5.146507       3.784740 
1 1 1 20 2  38 f 50.815  3.3644 27.264   2.0523  54.122  2.9494 47.508  6.0480 6.613819       6.728815 
1 1 1 20 2  40 o 32.049  5.1737 11.299   2.2042  34.275  5.2161 29.822  8.9364 4.452475       10.34731 
1 1 1 20 2  42 o 48.363  3.5823 23.853   2.2583  45.630  3.9181 51.095  5.9982 -5.465157      7.164500 
1 1 1 20 2  44 o 14.179  4.5822 -1.8118  2.0253  13.264  6.0887 15.094  6.8494 -1.830025      9.164421 
1 1 1 20 2  46 o 14.626  4.8768 -4.7835  2.7103  16.220  7.3747 13.032  6.3832 3.188690       9.753520 
1 1 1 20 2  48 o 15.143  4.8786 -0.6788  2.1844  14.614  6.2865 15.672  7.4621 -1.058185      9.757194 
1 1 1 20 3  1  o 374.346 2.6417 1401.91  13.976  375.408 3.8099 373.285 3.6605 2.123199       5.283378 
1 1 1 20 3  3  o 288.251 2.0683 831.413  8.4278  284.961 2.9801 291.542 2.8690 -6.580261      4.136698 
1 1 1 20 3  5  o 128.351 1.5830 164.692  2.8719  131.335 2.2364 125.367 2.2410 5.968460       3.165946 
1 1 1 20 3  7  o 246.215 2.0180 604.014  6.9655  252.508 3.0344 239.921 2.6613 12.58719       4.036086 
1 1 1 20 3  9  f 206.102 1.8077 424.811  5.2628  207.014 2.6217 205.190 2.4894 1.823822       3.615319 
1 1 1 20 3  11 o 340.819 2.4462 1162.07  11.755  341.633 3.6071 340.004 3.3052 1.628326       4.892385 
1 1 1 20 3  13 o 136.004 1.6770 185.016  3.2216  135.724 2.3052 136.285 2.4362 -0.5604858     3.353967 
1 1 1 20 3  15 o 296.427 2.4168 880.628  9.5468  297.467 2.6831 295.387 4.0205 2.080170       4.833605 
1 1 1 20 3  17 o 183.911 1.6272 337.920  4.1667  182.670 2.0623 185.152 2.5174 -2.481552      3.254305 
1 1 1 20 3  19 o 33.968  2.4762 11.593   1.1735  34.629  3.1345 33.306  3.8341 1.322716       4.952363 
1 1 1 20 3  21 o 83.312  1.5794 69.117   1.8164  81.785  1.9518 84.839  2.4836 -3.053711      3.158742 
1 1 1 20 3  23 o 93.858  1.5235 87.712   1.9702  92.131  1.8712 95.585  2.4048 -3.453278      3.047035 
1 1 1 20 3  25 o 97.736  1.3690 95.676   1.8701  98.296  1.7538 97.175  2.1026 1.120628       2.738050 
1 1 1 20 3  27 o 96.332  1.9148 93.503   2.4758  97.948  2.1512 94.716  3.1684 3.231476       3.829669 
1 1 1 20 3  29 o 90.164  1.7675 81.563   2.2056  89.407  2.7852 90.921  2.1770 -1.514000      3.535059 
1 1 1 20 3  31 f 74.982  2.0468 56.857   2.1156  77.642  2.4671 72.321  3.2666 5.321068       4.093591 
1 1 1 20 3  33 o 39.627  3.3571 15.753   1.8701  37.484  4.5992 41.771  4.8915 -4.286949      6.714104 
1 1 1 20 3  35 o 131.337 1.7231 172.833  3.1721  130.709 2.2471 131.965 2.6128 -1.255417      3.446129 
1 1 1 20 3  37 o 67.653  2.1839 45.959   2.0354  68.343  3.4568 66.964  2.6698 1.379402       4.367745 
1 1 1 20 3  39 o 47.080  2.7366 22.507   1.8192  49.034  3.7763 45.126  3.9618 3.907997       5.473269 
1 1 1 20 3  41 o 60.742  2.5698 37.786   2.1240  61.906  2.9911 59.578  4.1797 2.328262       5.139682 
1 1 1 20 3  43 o 36.942  5.0119 15.769   2.3384  40.361  4.7460 33.523  8.8290 6.837929       10.02374 
1 1 1 20 3  45 o 37.986  4.5227 15.968   2.3429  33.840  6.2733 42.132  6.5166 -8.292023      9.045456 
1 1 1 20 3  47 o 16.036  4.9056 0.9657   2.0113  15.385  6.5677 16.686  7.2886 -1.300226      9.811172 
1 1 1 20 3  49 o 16.096  5.2278 0.1464   2.4294  13.503  6.1962 18.689  8.4218 -5.186413      10.45557 
1 1 1 20 4  0  o 236.525 2.5922 559.713  12.259  236.525 2.5922 ?       ?      0.000000       0.000000 
1 1 1 20 4  2  f 85.558  1.2973 73.405   1.5637  82.573  1.9332 88.543  1.7307 -5.970718      2.594688 
1 1 1 20 4  4  o 159.542 1.5728 254.077  3.5204  161.701 2.3692 157.384 2.0691 4.317047       3.145502 
1 1 1 20 4  6  o 146.844 1.4649 215.348  3.0057  148.059 2.2425 145.629 1.8853 2.429703       2.929719 
1 1 1 20 4  8  o 239.608 1.9349 574.544  6.5258  238.791 2.8878 240.425 2.5761 -1.634811      3.869831 
1 1 1 20 4  10 o 101.877 1.4385 102.522  2.0354  107.608 2.1954 96.145  1.8595 11.46321       2.877093 
1 1 1 20 4  12 o 266.727 1.9917 709.068  7.3308  262.819 2.4537 270.636 3.1378 -7.817139      3.983322 
1 1 1 20 4  14 o 298.516 3.1568 886.068  11.165  295.527 2.8087 301.504 5.6543 -5.977692      6.313518 
1 1 1 20 4  16 o 116.543 1.5724 135.306  2.5540  114.110 2.0144 118.975 2.4150 -4.865425      3.144843 
1 1 1 20 4  18 o 67.458  1.5848 46.167   1.4241  69.924  1.7350 64.991  2.6526 4.933327       3.169607 
1 1 1 20 4  20 o 208.316 1.8009 433.849  5.1823  207.582 2.2147 209.050 2.8405 -1.467590      3.601834 
1 1 1 20 4  22 o 158.638 1.6121 251.969  3.5937  159.369 2.1234 157.907 2.4261 1.461472       3.224129 
1 1 1 20 4  24 o 65.566  1.9208 43.077   1.7089  65.772  2.2328 65.361  3.1261 0.4114838      3.841566 
1 1 1 20 4  26 f 112.965 1.4859 127.152  2.3193  110.972 1.8412 114.959 2.3328 -3.986496      2.971835 
1 1 1 20 4  28 o 25.884  3.6685 7.3324   1.3720  16.808  6.2548 34.961  3.8353 -18.15311      7.337061 
1 1 1 20 4  30 o 23.173  4.3640 5.5883   1.4241  23.421  5.3024 22.925  6.9327 0.4966621      8.728015 
1 1 1 20 4  32 o 105.455 1.5933 111.412  2.3349  105.446 1.9982 105.464 2.4822 -0.1766205E-01 3.186612 
1 1 1 20 4  34 o 115.220 1.5679 133.061  2.5524  115.172 2.1621 115.269 2.2711 -0.9752655E-01 3.135710 
1 1 1 20 4  36 o 54.777  2.2685 30.214   1.7553  54.130  3.3028 55.425  3.1105 -1.294926      4.536921 
1 1 1 20 4  38 o 74.759  1.8822 56.456   1.9773  77.678  2.4660 71.840  2.8441 5.837234       3.764302 
1 1 1 20 4  40 o 48.110  2.6563 23.413   1.7308  47.395  3.0986 48.825  4.3155 -1.430454      5.312700 
1 1 1 20 4  42 o 28.279  5.0331 9.0009   2.0253  24.022  7.1689 32.536  7.0665 -8.513802      10.06623 
1 1 1 20 4  44 o 25.808  5.1804 7.7568   1.9711  25.062  7.0777 26.553  7.5666 -1.490635      10.36086 
1 1 1 20 4  46 f 38.470  5.0892 17.505   2.1218  41.053  3.7328 35.887  9.4692 5.165771       10.17834 
1 1 1 20 4  48 o 22.587  5.6782 6.7681   2.2702  22.706  7.6210 22.469  8.4195 0.2372894      11.35645 
1 1 1 20 5  1  o 62.884  1.2582 39.536   1.1165  66.082  1.7392 59.686  1.8186 6.396370       2.516401 
1 1 1 20 5  3  o 205.288 1.6715 421.168  4.8451  202.600 2.3006 207.977 2.4254 -5.376968      3.342949 
1 1 1 20 5  5  o 388.958 2.7402 1514.19  15.066  386.566 3.9476 391.349 3.8015 -4.783691      5.480452 
1 1 1 20 5  7  o 184.053 1.6088 339.018  4.1761  182.889 2.3740 185.217 2.1718 -2.327866      3.217572 
1 1 1 20 5  9  o 174.473 1.5720 303.363  3.8036  171.698 1.9709 177.249 2.4496 -5.551468      3.144041 
1 1 1 20 5  11 o 398.808 2.7427 1593.81  14.975  400.507 3.2682 397.109 4.4056 3.397797       5.485464 
1 1 1 20 5  13 o 176.890 1.8683 313.385  4.5497  177.605 2.2649 176.175 2.9719 1.429871       3.736562 
1 1 1 20 5  15 o 179.940 1.9292 324.002  4.6429  179.995 2.1639 179.884 3.1946 0.1108856      3.858456 
1 1 1 20 5  17 o 88.816  1.4563 79.020   1.8057  89.466  1.8556 88.166  2.2451 1.300415       2.912635 
1 1 1 20 5  19 o 120.123 1.5293 143.110  2.5193  116.544 1.8627 123.702 2.4260 -7.157684      3.058611 
1 1 1 20 5  21 o 151.504 1.5991 229.547  3.3918  151.027 2.0716 151.982 2.4367 -0.9547119     3.198282 
1 1 1 20 5  23 o 301.725 2.3892 914.959  9.8512  305.324 2.8232 298.126 3.8551 7.198273       4.778301 
1 1 1 20 5  25 o 386.201 2.8428 1492.60  15.141  383.006 3.4842 389.396 4.4929 -6.390228      5.685554 
1 1 1 20 5  27 o 64.918  1.7789 42.254   1.6226  65.562  2.3373 64.273  2.6822 1.289047       3.557738 
1 1 1 20 5  29 o 48.335  2.2219 23.562   1.4835  49.602  2.7032 47.069  3.5270 2.533333       4.443772 
1 1 1 20 5  31 f 36.100  2.8915 13.153   1.4686  33.978  4.3221 38.223  3.8421 -4.244865      5.782938 
1 1 1 20 5  33 o 32.564  3.7381 10.783   1.5987  31.836  4.2118 33.292  6.1770 -1.456596      7.476295 
1 1 1 20 5  35 o 27.029  4.7452 7.6912   1.7251  27.271  5.3414 26.788  7.8445 0.4823914      9.490398 
1 1 1 20 5  37 o 87.022  2.1278 76.237   2.6163  87.036  2.9344 87.008  3.0822 0.2851868E-01  4.255656 
1 1 1 20 5  39 o 83.966  2.4673 71.657   2.8768  82.604  3.8649 85.329  3.0680 -2.725563      4.934533 
1 1 1 20 5  41 o 17.528  5.1304 1.0158   2.0374  13.733  6.1323 21.323  8.2268 -7.590336      10.26081 
1 1 1 20 5  43 o 52.129  3.1087 28.282   2.1180  52.094  3.3093 52.164  5.2634 -0.6948471E-01 6.217310 
1 1 1 20 5  45 o 34.195  4.1704 12.943   1.9711  32.293  5.9577 36.096  5.8374 -3.803257      8.340781 
1 1 1 20 5  47 o 21.268  5.6023 5.1674   2.1367  19.548  6.9703 22.987  8.7725 -3.439400      11.20458 
1 1 1 20 5  49 o 27.344  5.7096 11.018   2.7377  33.750  7.0411 20.938  8.9900 12.81269       11.41919 
1 1 1 20 6  0  o 22.430  2.6226 5.2357   1.1493  22.430  2.6226 ?       ?      0.000000       0.000000 
1 1 1 20 6  2  o 173.923 1.6228 302.365  3.9843  175.518 2.3646 172.327 2.2231 3.190674       3.245538 
1 1 1 20 6  4  o 298.430 2.1550 893.366  8.9643  302.624 2.7218 294.236 3.3419 8.388123       4.310001 
1 1 1 20 6  6  o 273.161 2.1089 744.952  7.9043  271.192 2.5428 275.131 3.3651 -3.939209      4.217749 
1 1 1 20 6  8  o 238.063 2.0756 568.539  6.9451  243.687 2.7250 232.439 3.1316 11.24780       4.151172 
1 1 1 20 6  10 o 220.009 2.3839 483.684  7.0765  219.164 2.7386 220.854 3.9029 -1.690292      4.767885 
1 1 1 20 6  12 o 343.746 2.5462 1183.38  12.325  345.776 3.3977 341.716 3.7931 4.060547       5.092355 
1 1 1 20 6  14 o 130.743 1.6754 172.977  2.9761  135.586 1.9308 125.901 2.7386 9.684776       3.350796 
1 1 1 20 6  16 o 138.894 1.4731 193.805  2.7606  140.581 1.6805 137.206 2.4199 3.374084       2.946165 
1 1 1 20 6  18 o 101.979 1.4515 103.450  2.0157  100.171 1.7210 103.788 2.3378 -3.616753      2.902941 
1 1 1 20 6  20 o 168.954 1.5885 284.401  3.6795  166.511 1.9173 171.396 2.5332 -4.885757      3.176981 
1 1 1 20 6  22 o 165.958 1.6409 276.095  3.8044  167.603 2.0953 164.313 2.5258 3.289688       3.281784 
1 1 1 20 6  24 o 56.725  2.2612 32.831   1.7089  59.553  2.4660 53.897  3.7910 5.656704       4.522439 
1 1 1 20 6  26 o 155.803 1.6197 241.856  3.4606  153.268 1.9580 158.339 2.5808 -5.071228      3.239496 
1 1 1 20 6  28 o 137.793 1.9961 187.346  3.5069  133.938 2.0499 141.649 3.4258 -7.711655      3.992273 
1 1 1 20 6  30 o 113.061 1.6575 127.815  2.6402  111.096 2.2415 115.026 2.4424 -3.930145      3.315044 
1 1 1 20 6  32 o 130.076 1.6913 168.273  3.0227  126.538 2.0688 133.614 2.6761 -7.075668      3.382539 
1 1 1 20 6  34 o 95.771  1.8402 91.966   2.4836  95.353  2.4776 96.189  2.7216 -0.8361740     3.680428 
1 1 1 20 6  36 o 135.575 1.9530 185.471  3.6494  133.580 3.1070 137.570 2.3671 -3.990326      3.905911 
1 1 1 20 6  38 o 79.262  1.7734 63.327   1.9711  80.420  2.3025 78.104  2.6978 2.316063       3.546728 
1 1 1 20 6  40 o 42.646  3.0891 18.806   1.7744  44.003  3.4825 41.290  5.1031 2.712574       6.178152 
1 1 1 20 6  42 o 20.617  4.9547 3.8409   1.9646  24.303  6.4569 16.932  7.5171 7.371050       9.909488 
1 1 1 20 6  44 o 40.531  4.1215 17.626   2.2779  37.962  5.0459 43.101  6.5182 -5.138725      8.243073 
1 1 1 20 6  46 o 15.684  5.0017 -0.2980  2.1283  14.413  6.1810 16.954  7.8654 -2.540482      10.00345 
1 1 1 20 6  48 f 17.736  5.1744 2.8395   2.1033  18.023  6.9671 17.450  7.6521 0.5733089      10.34872 
1 1 1 20 7  1  o 240.003 2.7801 579.179  8.7954  237.294 4.6820 242.711 2.9990 -5.417343      5.560104 
1 1 1 20 7  3  o 90.182  1.5501 80.027   1.9279  95.808  2.3992 84.557  1.9633 11.25060       3.100113 
1 1 1 20 7  5  o 103.934 1.3561 108.624  1.9773  108.911 1.7588 98.957  2.0647 9.953484       2.712290 
1 1 1 20 7  7  o 108.594 1.2900 118.693  1.9050  110.773 1.4987 106.416 2.1000 4.356552       2.579944 
1 1 1 20 7  9  o 261.559 1.9741 686.668  7.0880  264.638 2.3645 258.480 3.1619 6.158630       3.948213 
1 1 1 20 7  11 o 476.061 3.2965 2264.01  21.879  470.093 4.2106 482.029 5.0733 -11.93655      6.592968 
1 1 1 20 7  13 o 125.547 1.7234 159.249  2.8451  128.431 1.8395 122.662 2.9150 5.769295       3.446887 
1 1 1 20 7  15 f 119.965 1.3880 144.368  2.2951  121.274 1.6848 118.656 2.2063 2.618050       2.775995 
1 1 1 20 7  17 o 128.740 1.4896 166.011  2.6270  129.269 1.7782 128.211 2.3904 1.058060       2.979276 
1 1 1 20 7  19 o 268.062 2.1541 720.309  7.9225  269.490 2.5825 266.634 3.4483 2.856018       4.308206 
1 1 1 20 7  21 o 61.797  1.8115 38.659   1.4659  63.409  1.9132 60.186  3.0766 3.223122       3.622945 
1 1 1 20 7  23 o 175.027 1.7226 306.726  4.1174  175.268 2.0401 174.785 2.7763 0.4827576      3.445290 
1 1 1 20 7  25 o 103.134 1.6665 105.966  2.2986  101.856 1.8806 104.412 2.7519 -2.555672      3.333072 
1 1 1 20 7  27 o 65.540  1.8344 43.144   1.6866  67.007  2.3822 64.074  2.7902 2.932678       3.668848 
1 1 1 20 7  29 o 47.400  2.3931 22.575   1.5860  47.883  3.0670 46.917  3.6745 0.9662247      4.786273 
1 1 1 20 7  31 o 24.339  4.7951 6.1935   1.7240  22.648  6.9497 26.031  6.6085 -3.383181      9.590138 
1 1 1 20 7  33 o 23.790  5.3940 5.6304   2.0374  23.191  8.3665 24.389  6.8105 -1.197914      10.78804 
1 1 1 20 7  35 o 102.899 1.8691 106.367  2.7043  102.409 2.8057 103.388 2.4703 -0.9794693     3.738224 
1 1 1 20 7  37 o 19.815  5.1888 3.2930   1.9218  19.693  6.9755 19.938  7.6836 -0.2447128     10.37765 
1 1 1 20 7  39 o 71.962  2.1337 52.357   2.1709  72.849  2.9800 71.074  3.0544 1.774567       4.267323 
1 1 1 20 7  41 o 34.403  4.0499 12.764   1.9134  31.164  6.1610 37.642  5.2584 -6.478363      8.099895 
1 1 1 20 7  43 o 33.418  4.9449 13.022   2.0870  36.972  4.4902 29.864  8.8116 7.108011       9.889727 
1 1 1 20 7  45 o 30.808  4.9295 11.017   2.0587  27.865  6.5242 33.750  7.3916 -5.884550      9.859089 
1 1 1 20 7  47 o 19.463  5.5183 3.7230   2.1693  19.059  6.7161 19.868  8.7578 -0.8087807     11.03655 
1 1 1 20 7  49 o 15.494  5.0243 0.4138   2.1692  13.051  5.9140 17.938  8.1241 -4.886497      10.04866 
1 1 1 20 8  0  o 320.166 4.5091 1026.20  28.860  320.166 4.5091 ?       ?      0.000000       0.000000 
1 1 1 20 8  2  o 208.950 2.1691 432.710  5.6399  205.602 2.1118 212.299 3.7895 -6.696915      4.338228 
1 1 1 20 8  4  o 111.371 2.4538 123.705  3.8500  104.152 3.4944 118.591 3.4458 -14.43926      4.907593 
1 1 1 20 8  6  o 336.686 2.8497 1134.45  13.566  332.053 4.0381 341.319 4.0220 -9.266418      5.699358 
1 1 1 20 8  8  o 138.698 1.7431 192.253  3.3070  138.245 2.0784 139.151 2.7990 -0.9054413     3.486298 
1 1 1 20 8  10 o 368.598 2.7437 1360.59  14.219  369.773 3.6262 367.423 4.1186 2.350189       5.487406 
1 1 1 20 8  12 f 188.926 1.9832 356.351  5.1823  187.217 2.4556 190.635 3.1149 -3.418045      3.966411 
1 1 1 20 8  14 o 112.992 1.6570 128.240  2.5789  114.723 2.0036 111.262 2.6398 3.460220       3.314087 
1 1 1 20 8  16 o 185.658 1.8023 345.330  4.7241  190.011 2.4531 181.306 2.6413 8.704391       3.604695 
1 1 1 20 8  18 o 195.873 1.8381 384.185  5.0518  196.811 2.4007 194.934 2.7842 1.876541       3.676295 
1 1 1 20 8  20 o 108.229 1.6581 117.677  2.5120  111.036 2.1277 105.423 2.5438 5.613686       3.316280 
1 1 1 20 8  22 o 110.714 1.6812 122.010  2.5618  108.535 2.0590 112.892 2.6583 -4.357658      3.362432 
1 1 1 20 8  24 o 88.279  1.7164 77.939   2.1271  87.636  2.2586 88.922  2.5850 -1.286880      3.432707 
1 1 1 20 8  26 o 67.703  1.9010 45.912   1.8192  67.847  2.6351 67.560  2.7408 0.2865906      3.802032 
1 1 1 20 8  28 o 127.926 2.4711 164.020  4.4613  129.183 3.6081 126.670 3.3773 2.512619       4.942113 
1 1 1 20 8  30 o 152.724 2.5930 233.252  5.2231  154.263 4.3460 151.186 2.8296 3.076370       5.186007 
1 1 1 20 8  32 o 143.010 1.8469 205.141  3.7350  142.589 2.5972 143.430 2.6265 -0.8407593     3.693766 
1 1 1 20 8  34 o 44.657  2.8288 20.267   1.7274  46.057  3.3272 43.256  4.5759 2.801342       5.657660 
1 1 1 20 8  36 f 66.637  2.0613 44.900   1.8815  67.841  2.4471 65.432  3.3178 2.408401       4.122619 
1 1 1 20 8  38 o 110.333 1.8046 122.326  2.7862  109.071 2.3416 111.595 2.7464 -2.524117      3.609129 
1 1 1 20 8  40 o 30.295  4.1409 9.8613   1.7027  31.175  4.9154 29.414  6.6652 1.761068       8.281732 
1 1 1 20 8  42 o 18.511  4.8884 1.5737   2.0707  13.393  6.2911 23.629  7.4839 -10.23593      9.776883 
1 1 1 20 8  44 o 21.414  5.7005 4.5955   2.0992  17.787  6.6580 25.041  9.2548 -7.253344      11.40091 
1 1 1 20 8  46 o 15.491  4.8368 0.1201   2.0585  15.331  6.4932 15.651  7.1706 -0.3207273     9.673628 
1 1 1 20 8  48 o 17.593  5.2928 2.4502   2.3429  18.326  7.3432 16.860  7.6245 1.465796       10.58565 
1 1 1 20 9  1  o 264.638 3.2501 701.133  12.163  264.435 4.5636 264.840 4.6289 -0.4053345     6.500264 
1 1 1 20 9  3  o 278.344 2.5616 776.521  9.4548  279.428 2.8106 277.261 4.2834 2.167511       5.123184 
1 1 1 20 9  5  o 318.712 4.1522 1004.79  15.630  312.940 3.6930 324.483 7.4381 -11.54346      8.304461 
1 1 1 20 9  7  o 272.083 2.6935 741.168  9.3409  272.274 2.7203 271.892 4.6498 0.3825073      5.387067 
1 1 1 20 9  9  o 117.526 1.9062 140.006  2.5360  119.583 1.5484 115.469 3.4837 4.113480       3.812304 
1 1 1 20 9  11 o 200.963 2.2877 406.841  5.5461  203.060 2.0753 198.867 4.0776 4.193192       4.575349 
1 1 1 20 9  13 o 135.151 1.5157 183.736  2.8605  139.619 1.9207 130.683 2.3452 8.936401       3.031403 
1 1 1 20 9  15 o 138.572 1.4751 192.739  2.7606  139.895 1.6887 137.249 2.4191 2.646790       2.950257 
1 1 1 20 9  17 o 55.109  2.6872 29.520   1.6313  53.112  2.1639 57.107  4.9196 -3.994839      5.374499 
1 1 1 20 9  19 o 283.554 2.2205 803.304  8.6855  281.324 2.7236 285.784 3.5077 -4.460907      4.440940 
1 1 1 20 9  21 o 140.326 1.5758 198.083  3.0701  143.838 1.9532 136.814 2.4735 7.024673       3.151676 
1 1 1 20 9  23 o 62.445  2.3891 39.053   2.0993  62.146  3.1850 62.743  3.5618 -0.5975685     4.778135 
1 1 1 20 9  25 o 65.681  2.3249 43.510   2.1271  63.434  3.6236 67.929  2.9139 -4.494274      4.649875 
1 1 1 20 9  27 o 74.521  1.7929 55.587   1.8701  74.316  2.3198 74.726  2.7343 -0.4104691     3.585747 
1 1 1 20 9  29 o 63.780  2.0796 40.933   1.8164  64.555  2.4727 63.005  3.3443 1.550625       4.159149 
1 1 1 20 9  31 o 67.826  2.0302 46.152   1.9469  67.312  2.8457 68.340  2.8963 -1.027931      4.060395 
1 1 1 20 9  33 o 43.068  3.1938 18.615   1.9344  40.878  4.3736 45.259  4.6556 -4.381371      6.387674 
1 1 1 20 9  35 o 81.889  1.7409 67.432   2.0067  82.803  2.3133 80.975  2.6021 1.827698       3.481749 
1 1 1 20 9  37 o 58.344  2.5985 34.460   2.1271  58.181  3.4021 58.507  3.9288 -0.3261108     5.197075 
1 1 1 20 9  39 o 25.971  4.6664 7.2790   1.8147  19.868  6.9818 32.074  6.1932 -12.20631      9.332758 
1 1 1 20 9  41 o 36.019  3.7722 13.732   1.9070  36.246  4.9324 35.791  5.7087 0.4550438      7.544363 
1 1 1 20 9  43 o 31.986  6.3017 10.735   2.2823  25.256  6.1224 38.716  11.016 -13.45997      12.60330 
1 1 1 20 9  45 o 23.975  5.6756 6.6161   2.0736  24.964  5.7429 22.985  9.7913 1.978775       11.35125 
1 1 1 20 9  47 o 17.256  5.1765 2.0808   2.0507  13.755  6.0894 20.756  8.3729 -7.001385      10.35309 
1 1 1 20 10 0  o 373.501 7.8372 1399.47  58.487  373.501 7.8372 ?       ?      0.000000       0.000000 
1 1 1 20 10 2  f 262.317 4.4933 687.542  16.557  256.017 5.9856 268.617 6.7032 -12.60080      8.986634 
1 1 1 20 10 4  o 103.796 2.1471 105.069  2.4469  100.558 1.7144 107.033 3.9372 -6.474747      4.294277 
1 1 1 20 10 6  o 134.264 2.6315 180.218  4.5493  133.961 2.7168 134.567 4.5077 -0.6053314     5.263078 
1 1 1 20 10 8  o 226.202 3.1741 509.588  7.0834  225.009 2.1283 227.395 5.9809 -2.385544      6.348243 
1 1 1 20 10 10 o 68.338  2.1535 45.047   1.4366  65.790  1.4558 70.885  4.0534 -5.095230      4.306911 
1 1 1 20 10 12 o 70.851  1.9866 46.897   1.4285  65.692  1.4579 76.010  3.6961 -10.31821      3.973264 
1 1 1 20 10 14 o 63.444  2.1119 40.488   1.3834  63.818  1.5008 63.070  3.9483 0.7476997      4.223865 
1 1 1 20 10 16 o 52.179  2.7049 25.939   1.2815  49.766  1.6679 54.591  5.1463 -4.824898      5.409808 
1 1 1 20 10 18 o 175.668 1.9876 305.370  4.1857  172.683 1.8118 178.652 3.5383 -5.969116      3.975169 
1 1 1 20 10 20 o 225.340 2.4889 504.413  7.3794  221.160 2.7139 229.520 4.1729 -8.360748      4.977730 
1 1 1 20 10 22 o 136.828 2.2400 185.806  4.1848  132.762 2.6933 140.894 3.5801 -8.131744      4.480061 
1 1 1 20 10 24 o 85.257  2.2656 72.388   2.3547  84.449  2.1170 86.064  4.0062 -1.614349      4.531201 
1 1 1 20 10 26 o 15.980  4.8671 -0.5087  1.7585  11.378  5.2055 20.582  8.2255 -9.204109      9.734221 
1 1 1 20 10 28 o 60.639  2.4981 35.756   1.9136  57.231  2.5660 64.047  4.2868 -6.815689      4.996118 
1 1 1 20 10 30 o 90.733  2.0827 81.299   2.4294  87.961  2.1777 93.504  3.5509 -5.542809      4.165458 
1 1 1 20 10 32 o 98.302  1.8611 96.015   2.5383  94.220  2.3719 102.383 2.8687 -8.162994      3.722282 
1 1 1 20 10 34 f 42.250  3.1023 18.057   1.7520  42.271  3.4742 42.229  5.1408 0.4163361E-01  6.204612 
1 1 1 20 10 36 o 54.976  2.9771 30.210   2.0140  53.771  2.8499 56.181  5.2279 -2.410561      5.954245 
1 1 1 20 10 38 o 22.714  5.3029 5.0916   1.8125  19.581  6.3151 25.847  8.5206 -6.265949      10.60572 
1 1 1 20 10 40 o 19.397  5.2479 3.2141   1.8978  18.707  6.4562 20.086  8.2751 -1.378773      10.49572 
1 1 1 20 10 42 o 30.348  5.1360 10.803   2.1469  32.796  5.8570 27.899  8.4385 4.897673       10.27193 
1 1 1 20 10 44 o 23.101  5.3266 6.1111   1.9137  24.078  5.8773 22.124  8.8853 1.953424       10.65321 
1 1 1 20 10 46 o 16.315  5.4206 -0.5687  2.3065  13.353  5.8888 19.277  9.1023 -5.923673      10.84116 
1 1 1 20 10 48 o 20.031  5.6521 5.1484   2.3188  18.767  7.2206 21.294  8.6975 -2.527868      11.30411 
1 1 1 20 11 1  o 267.480 3.1851 716.631  12.017  266.689 4.6926 268.271 4.3079 -1.581421      6.370157 
1 1 1 20 11 3  o 204.255 3.8268 417.311  10.993  207.211 5.7006 201.299 5.1068 5.911926       7.653543 
1 1 1 20 11 5  o 434.083 4.7888 1907.11  25.758  440.960 4.5467 427.206 8.4296 13.75354       9.577579 
1 1 1 20 11 7  o 495.734 4.4295 2469.51  29.084  498.185 4.8447 493.283 7.4169 4.901886       8.858971 
1 1 1 20 11 9  o 211.926 2.4371 444.019  5.7911  208.611 1.9895 215.241 4.4497 -6.629944      4.874197 
1 1 1 20 11 11 o 182.867 2.1374 335.642  4.5675  183.650 1.8427 182.084 3.8573 1.566803       4.274852 
1 1 1 20 11 13 o 134.109 1.8875 179.102  2.9492  133.212 1.6297 135.006 3.4052 -1.793457      3.775084 
1 1 1 20 11 15 o 104.546 2.0345 110.700  2.6689  106.827 1.9724 102.265 3.5589 4.562241       4.068915 
1 1 1 20 11 17 o 143.497 1.9837 205.738  3.8104  142.854 2.2348 144.139 3.2780 -1.285004      3.967351 
1 1 1 20 11 19 o 195.638 2.0175 383.014  5.0128  195.545 2.0245 195.732 3.4905 -0.1862488     4.035094 
1 1 1 20 11 21 o 145.846 2.1486 209.852  3.5483  143.036 1.7856 148.656 3.9086 -5.619949      4.297153 
1 1 1 20 11 23 o 125.505 1.9844 158.150  2.9224  126.001 1.7229 125.009 3.5754 0.9915466      3.968847 
1 1 1 20 11 25 o 246.473 2.4085 598.546  7.2639  239.833 2.2896 253.113 4.2380 -13.28004      4.816912 
1 1 1 20 11 27 o 298.433 2.7348 882.829  10.733  289.949 2.9949 306.918 4.5768 -16.96909      5.469619 
1 1 1 20 11 29 o 145.769 1.7808 208.725  3.2461  140.744 1.7693 150.794 3.0910 -10.05072      3.561573 
1 1 1 20 11 31 o 60.750  2.6227 37.632   1.9670  62.218  2.4630 59.283  4.6313 2.934277       5.245473 
1 1 1 20 11 33 o 106.496 1.9873 110.594  2.6651  101.025 2.0225 111.968 3.4215 -10.94271      3.974593 
1 1 1 20 11 35 o 106.986 1.8024 113.648  2.5297  104.215 1.9606 109.757 3.0251 -5.542130      3.604854 
1 1 1 20 11 37 o 17.258  5.0438 1.3388   1.8125  14.811  6.0263 19.706  8.0898 -4.894990      10.08768 
1 1 1 20 11 39 o 25.750  5.4269 7.4048   2.0691  26.491  6.3415 25.008  8.8085 1.483049       10.85381 
1 1 1 20 11 41 o 24.339  5.3566 6.5945   2.2067  28.144  6.2858 20.534  8.6754 7.610701       10.71320 
1 1 1 20 11 43 o 38.655  4.1379 16.035   2.1907  35.797  5.1727 41.512  6.4601 -5.715218      8.275816 
1 1 1 20 11 45 o 18.536  5.6185 2.3465   2.1949  14.936  6.2832 22.136  9.3161 -7.199799      11.23697 
1 1 1 20 11 47 o 15.589  4.9712 0.5738   2.1044  13.401  6.0001 17.776  7.9279 -4.375119      9.942468 
1 1 1 20 12 0  o 118.766 6.7113 142.642  15.835  118.766 6.7113 ?       ?      0.000000       0.000000 
1 1 1 20 12 2  o 175.877 3.0420 309.625  7.5597  174.178 4.2157 177.576 4.3867 -3.397614      6.084012 
1 1 1 20 12 4  o 134.064 2.0151 181.100  3.2208  135.494 1.7907 132.633 3.6105 2.860764       4.030218 
1 1 1 20 12 6  o 160.016 2.5293 260.695  4.8093  164.154 2.2171 155.878 4.5468 8.276657       5.058531 
1 1 1 20 12 8  o 209.989 2.5769 444.490  7.1096  213.323 2.7537 206.654 4.3565 6.668808       5.153830 
1 1 1 20 12 10 o 132.017 1.8277 175.246  3.2643  133.918 2.0979 130.117 2.9934 3.800613       3.655311 
1 1 1 20 12 12 o 336.220 3.2760 1137.22  14.743  339.740 3.6648 332.700 5.4312 7.040527       6.552027 
1 1 1 20 12 14 o 149.188 2.0112 217.594  3.3891  144.696 1.6768 153.681 3.6562 -8.984970      4.022361 
1 1 1 20 12 16 o 140.405 2.0763 195.739  3.1659  139.071 1.6069 141.740 3.8291 -2.669098      4.152570 
1 1 1 20 12 18 o 115.383 2.2253 130.751  2.7468  112.813 1.6980 117.953 4.1140 -5.139900      4.450662 
1 1 1 20 12 20 o 78.559  2.4296 60.604   1.9597  76.873  1.7442 80.245  4.5355 -3.371689      4.859293 
1 1 1 20 12 22 o 102.016 2.1274 104.571  2.2856  102.429 1.5584 101.603 3.9591 0.8263779      4.254790 
1 1 1 20 12 24 o 130.883 2.0239 167.735  3.0728  126.858 1.7616 134.907 3.6443 -8.048813      4.047783 
1 1 1 20 12 26 o 114.881 1.8835 131.710  2.6651  114.192 1.7893 115.569 3.3149 -1.377335      3.766994 
1 1 1 20 12 28 o 139.999 1.9257 196.808  3.5909  140.573 2.1348 139.426 3.2057 1.146729       3.851460 
1 1 1 20 12 30 o 55.559  3.0047 31.925   1.9005  57.652  2.4365 53.466  5.4934 4.186127       6.009497 
1 1 1 20 12 32 o 64.586  2.4491 41.322   2.1691  61.240  3.0236 67.931  3.8537 -6.691242      4.898296 
1 1 1 20 12 34 o 59.196  2.6730 34.930   1.9831  57.913  2.6461 60.479  4.6453 -2.565598      5.346075 
1 1 1 20 12 36 o 27.408  5.0104 7.8396   2.3547  35.450  5.0432 19.366  8.6594 16.08449       10.02087 
1 1 1 20 12 38 o 19.797  5.5541 2.6853   2.1213  16.353  6.5915 23.241  8.9413 -6.888000      11.10829 
1 1 1 20 12 40 f 54.689  3.4322 31.253   2.2695  55.013  3.1337 54.364  6.1074 0.6490479      6.864425 
1 1 1 20 12 42 f 25.119  5.6007 7.4486   2.1180  23.562  6.8868 26.676  8.8343 -3.114397      11.20148 
1 1 1 20 12 44 o 27.487  5.1879 9.2239   2.0629  24.374  7.2951 30.600  7.3783 -6.225975      10.37579 
1 1 1 20 12 46 o 18.442  5.8883 2.0803   2.2739  13.054  5.8067 23.829  10.245 -10.77500      11.77658 
1 1 1 20 13 1  o 159.444 2.7751 253.847  6.2254  155.715 3.7314 163.173 4.1087 -7.458572      5.550221 
1 1 1 20 13 3  o 119.757 2.0985 142.614  2.5941  118.939 1.5031 120.575 3.9187 -1.636253      4.197062 
1 1 1 20 13 5  o 58.797  2.3780 34.726   1.4024  59.037  1.6223 58.556  4.4707 0.4810486      4.755944 
1 1 1 20 13 7  o 174.837 2.0964 304.135  4.3120  173.388 1.8413 176.285 3.7669 -2.897568      4.192800 
1 1 1 20 13 9  o 307.026 2.8341 939.558  10.499  304.818 2.5974 309.235 5.0381 -4.416718      5.668244 
1 1 1 20 13 11 o 349.862 3.1713 1209.50  12.910  343.262 2.7530 356.461 5.7140 -13.19934      6.342625 
1 1 1 20 13 13 o 115.937 1.7700 133.036  2.3654  114.227 1.5092 117.646 3.2021 -3.418556      3.539977 
1 1 1 20 13 15 o 137.728 1.9367 188.511  3.2208  136.236 1.7810 139.219 3.4397 -2.982651      3.873458 
1 1 1 20 13 17 o 216.747 1.8976 470.192  5.7007  216.639 2.3579 216.855 2.9738 -0.2160339     3.795143 
1 1 1 20 13 19 o 110.291 1.6109 121.399  2.4312  109.235 1.9289 111.348 2.5805 -2.112183      3.221718 
1 1 1 20 13 21 o 146.009 1.6741 214.235  3.2636  147.461 1.8619 144.557 2.7827 2.903580       3.348139 
1 1 1 20 13 23 o 114.587 1.6168 132.312  2.5540  117.664 1.9535 111.509 2.5767 6.155548       3.233539 
1 1 1 20 13 25 o 78.576  1.8950 61.526   1.9921  77.508  2.1419 79.644  3.1266 -2.136238      3.789903 
1 1 1 20 13 27 o 188.775 1.9766 357.179  5.2443  188.049 2.6145 189.501 2.9651 -1.451385      3.953112 
1 1 1 20 13 29 o 197.265 2.0157 389.914  5.5927  194.628 2.6901 199.903 3.0024 -5.274567      4.031300 
1 1 1 20 13 31 o 78.386  2.3939 61.843   2.6494  80.265  3.2615 76.508  3.5052 3.757080       4.787888 
1 1 1 20 13 33 o 49.144  2.5471 24.472   1.7414  50.096  3.1864 48.192  3.9747 1.903458       5.094270 
1 1 1 20 13 35 o 75.112  2.0426 56.583   2.1540  77.864  3.0341 72.361  2.7354 5.503082       4.085133 
1 1 1 20 13 37 o 48.624  3.2141 24.547   2.1540  51.295  3.8588 45.953  5.1410 5.341919       6.428102 
1 1 1 20 13 39 o 17.728  4.9973 2.1432   1.9134  18.861  7.1440 16.595  6.9896 2.265842       9.994576 
1 1 1 20 13 41 o 18.417  5.1138 2.8764   1.9427  18.276  7.0852 18.557  7.3759 -0.2803268     10.22760 
1 1 1 20 13 43 o 41.358  4.0589 18.817   2.3193  40.641  5.0275 42.076  6.3735 -1.435093      8.117746 
1 1 1 20 13 45 o 19.303  5.5141 3.0149   2.3819  20.384  6.8695 18.222  8.6273 2.161591       11.02814 
1 1 1 20 13 47 o 18.730  5.3810 4.0971   2.1213  18.054  6.7835 19.406  8.3549 -1.351967      10.76204 
1 1 1 20 14 0  o 16.686  10.272 2.4263   6.5127  16.686  10.272 ?       ?      0.000000       0.000000 
1 1 1 20 14 2  o 236.803 3.1682 562.312  10.596  233.290 4.6255 240.317 4.3308 -7.027756      6.336454 
1 1 1 20 14 4  o 118.239 2.2053 137.223  2.8224  115.502 1.7137 120.976 4.0640 -5.473946      4.410560 
1 1 1 20 14 6  o 171.146 2.5794 288.007  5.2036  166.727 2.2978 175.564 4.6188 -8.836441      5.158820 
1 1 1 20 14 8  o 55.176  3.0224 29.563   1.2451  53.835  1.4232 56.516  5.8748 -2.681313      6.044741 
1 1 1 20 14 10 o 223.699 2.5076 495.088  6.7397  219.706 2.2959 227.692 4.4587 -7.986588      5.015129 
1 1 1 20 14 12 o 193.558 1.7725 375.475  4.7731  194.990 2.2267 192.126 2.7584 2.863693       3.544984 
1 1 1 20 14 14 o 54.843  1.7989 30.375   1.3542  56.711  2.1392 52.975  2.8927 3.735893       3.597745 
1 1 1 20 14 16 o 209.390 1.9436 439.013  5.6360  209.630 2.4062 209.151 3.0528 0.4781952      3.887130 
1 1 1 20 14 18 o 161.676 1.6646 261.309  3.6795  160.990 1.9831 162.363 2.6741 -1.373489      3.329202 
1 1 1 20 14 20 o 42.554  2.6522 18.998   1.4672  47.372  2.6957 37.737  4.5684 9.635670       5.304435 
1 1 1 20 14 22 o 106.637 1.6823 113.780  2.4894  106.382 2.1007 106.893 2.6282 -0.5115967     3.364621 
1 1 1 20 14 24 o 124.431 1.8238 153.247  2.9900  121.068 2.0041 127.795 3.0478 -6.727127      3.647630 
1 1 1 20 14 26 o 93.228  1.6841 87.042   2.1654  93.047  2.0586 93.410  2.6659 -0.3623657     3.368211 
1 1 1 20 14 28 o 147.183 1.8902 216.833  3.8954  145.272 2.4613 149.094 2.8693 -3.822021      3.780369 
1 1 1 20 14 30 o 147.574 1.7612 218.567  3.6689  149.337 2.3943 145.811 2.5836 3.526535       3.522477 
1 1 1 20 14 32 o 79.612  2.0246 62.606   2.1655  75.821  2.3579 83.403  3.2919 -7.581543      4.049283 
1 1 1 20 14 34 o 16.573  4.6953 1.1261   1.7507  18.517  6.8163 14.628  6.4593 3.888522       9.390639 
1 1 1 20 14 36 o 17.085  4.8465 0.8173   1.9070  13.265  6.0478 20.906  7.5749 -7.640976      9.693059 
1 1 1 20 14 38 o 20.592  5.0960 4.0634   1.9469  17.167  7.0952 24.018  7.3167 -6.850584      10.19191 
1 1 1 20 14 40 o 35.411  4.5645 13.919   2.2348  36.967  6.0454 33.855  6.8404 3.111408       9.128903 
1 1 1 20 14 42 o 37.172  4.0057 15.119   2.0993  35.674  5.5484 38.669  5.7792 -2.994690      8.011487 
1 1 1 20 14 44 o 16.649  5.2425 0.4150   2.3944  15.938  6.8008 17.361  7.9801 -1.422333      10.48494 
1 1 1 20 14 46 o 14.260  4.6513 -1.7740  2.2779  15.119  6.6284 13.402  6.5271 1.716537       9.302676 
1 1 1 20 15 1  o 175.983 3.1803 309.644  7.8989  169.071 4.4563 182.896 4.5384 -13.82439      6.360501 
1 1 1 20 15 3  o 255.547 2.6894 655.560  8.9511  256.941 2.8329 254.154 4.5724 2.787125       5.378837 
1 1 1 20 15 5  f 66.885  2.6765 45.815   1.7075  68.449  1.6791 65.321  5.0829 3.128075       5.353075 
1 1 1 20 15 7  o 131.221 1.4803 172.386  2.6502  131.522 1.7477 130.921 2.3897 0.6013641      2.960631 
1 1 1 20 15 9  o 107.479 1.4216 115.707  2.1004  107.960 1.7151 106.997 2.2676 0.9628677      2.843220 
1 1 1 20 15 11 o 99.257  1.5086 98.337   2.0761  98.234  1.8849 100.280 2.3559 -2.045265      3.017146 
1 1 1 20 15 13 o 268.458 2.2136 719.765  8.1464  266.096 2.6635 270.820 3.5365 -4.724854      4.427298 
1 1 1 20 15 15 o 331.410 2.5393 1102.70  11.589  334.137 3.0766 328.683 4.0406 5.454224       5.078580 
1 1 1 20 15 17 f 97.844  1.6185 95.681   2.2183  96.906  2.1084 98.782  2.4562 -1.875824      3.237063 
1 1 1 20 15 19 o 204.134 1.9408 413.759  5.3671  199.016 2.2779 209.251 3.1429 -10.23514      3.881589 
1 1 1 20 15 21 o 179.005 1.6951 320.001  4.2313  176.761 2.1673 181.248 2.6069 -4.487213      3.390166 
1 1 1 20 15 23 o 175.189 1.6959 308.041  4.1625  177.704 2.1918 172.674 2.5884 5.029404       3.391722 
1 1 1 20 15 25 o 154.563 1.7346 238.729  3.6979  152.913 2.1296 156.212 2.7386 -3.298553      3.469121 
1 1 1 20 15 27 o 54.491  2.5790 30.322   1.9427  59.135  3.1313 49.848  4.0989 9.286510       5.158059 
1 1 1 20 15 29 f 92.384  1.8415 85.401   2.3599  91.416  2.3049 93.352  2.8727 -1.935982      3.683092 
1 1 1 20 15 31 o 58.715  2.2683 34.670   1.8787  57.649  3.1012 59.781  3.3110 -2.131985      4.536542 
1 1 1 20 15 33 o 38.645  3.3276 15.111   1.8057  35.572  4.6669 41.717  4.7447 -6.145344      6.655259 
1 1 1 20 15 35 o 66.541  2.6132 44.992   2.4545  66.152  3.5712 66.930  3.8160 -0.7775879     5.226405 
1 1 1 20 15 37 o 26.946  5.3767 8.3025   2.1271  25.716  7.3356 28.177  7.8628 -2.461147      10.75332 
1 1 1 20 15 39 o 17.183  4.6864 1.2387   1.8815  20.749  6.8695 13.616  6.3765 7.133286       9.372855 
1 1 1 20 15 41 o 37.051  4.2777 15.444   2.1156  39.268  4.8780 34.833  7.0286 4.435371       8.555493 
1 1 1 20 15 43 f 15.534  4.7770 0.3466   2.0108  16.998  7.0645 14.069  6.4322 2.929057       9.554092 
1 1 1 20 15 45 o 20.575  5.2403 5.4170   1.9279  20.615  7.9153 20.535  6.8695 0.7936287E-01  10.48052 
1 1 1 20 16 0  o 244.211 2.4321 596.746  11.876  244.211 2.4321 ?       ?      0.000000       0.000000 
1 1 1 20 16 2  o 185.840 1.4985 345.958  3.9141  183.945 2.2563 187.734 1.9726 -3.789047      2.997003 
1 1 1 20 16 4  o 132.138 1.4720 174.820  2.7396  133.156 1.9660 131.121 2.1913 2.035049       2.943994 
1 1 1 20 16 6  f 292.952 2.2822 857.402  9.1134  291.054 2.6983 294.849 3.6814 -3.795410      4.564393 
1 1 1 20 16 8  o 211.485 1.9003 447.138  5.4766  210.744 2.2420 212.226 3.0688 -1.482315      3.800538 
1 1 1 20 16 10 o 152.912 1.6213 234.547  3.4444  154.656 2.0230 151.169 2.5343 3.486679       3.242689 
1 1 1 20 16 12 f 213.074 1.9282 453.895  5.7007  211.901 2.4106 214.248 3.0100 -2.347015      3.856310 
1 1 1 20 16 14 o 246.158 2.0297 605.414  6.8130  244.484 2.4027 247.832 3.2720 -3.347794      4.059418 
1 1 1 20 16 16 o 75.105  2.4608 54.790   2.2843  71.250  2.4196 78.960  4.2858 -7.709740      4.921632 
1 1 1 20 16 18 o 214.647 1.9111 458.461  5.5649  210.542 2.2442 218.752 3.0940 -8.210648      3.822181 
1 1 1 20 16 20 o 276.837 2.1824 766.813  8.4608  274.542 2.8374 279.132 3.3168 -4.589996      4.364856 
1 1 1 20 16 22 o 159.132 1.7482 252.788  3.7902  157.469 2.0680 160.794 2.8194 -3.325912      3.496462 
1 1 1 20 16 24 o 98.621  1.6515 97.024   2.2702  96.474  2.1179 100.769 2.5345 -4.294998      3.302934 
1 1 1 20 16 26 o 78.066  2.1682 61.107   2.3906  76.075  3.0215 80.058  3.1105 -3.982208      4.336415 
1 1 1 20 16 28 o 60.734  2.0816 37.033   1.7878  60.418  2.9591 61.049  2.9285 -0.6307907     4.163190 
1 1 1 20 16 30 o 38.031  4.1015 15.200   2.0993  41.200  4.8043 34.862  6.6490 6.337818       8.203073 
1 1 1 20 16 32 o 62.601  2.3859 39.638   2.1051  63.945  3.1952 61.257  3.5440 2.688671       4.771715 
1 1 1 20 16 34 o 22.856  4.6138 5.4815   1.6914  27.691  6.1565 18.022  6.8736 9.668980       9.227619 
1 1 1 20 16 36 o 16.876  4.7875 0.9264   1.8787  20.636  7.4578 13.116  6.0051 7.519220       9.574915 
1 1 1 20 16 38 o 31.737  4.6567 11.228   2.0629  37.109  6.0221 26.364  7.1045 10.74531       9.313456 
1 1 1 20 16 40 o 14.985  4.5864 0.3694   1.7855  14.379  6.2964 15.590  6.6705 -1.211025      9.172789 
1 1 1 20 16 42 o 13.842  4.5569 -2.3888  2.1634  14.571  6.7268 13.113  6.1490 1.457941       9.113783 
1 1 1 20 16 44 o 22.998  5.7088 7.0874   2.3625  20.244  7.9674 25.752  8.1782 -5.508322      11.41767 
1 1 1 20 17 1  o 140.811 1.5305 196.980  2.8651  138.378 1.7073 143.243 2.5408 -4.864960      3.061082 
1 1 1 20 17 3  o 243.720 2.0746 596.763  6.9167  246.767 2.4581 240.672 3.3428 6.095306       4.149278 
1 1 1 20 17 5  o 370.181 2.7189 1373.79  13.692  371.030 3.1837 369.332 4.4085 1.698242       5.437848 
1 1 1 20 17 7  o 397.387 2.9172 1578.14  15.775  393.949 3.4361 400.826 4.7152 -6.877075      5.834346 
1 1 1 20 17 9  o 321.801 2.4312 1036.46  10.803  320.905 2.9846 322.698 3.8386 -1.793060      4.862323 
1 1 1 20 17 11 o 67.539  1.6535 45.626   1.5324  67.405  1.9893 67.673  2.6418 -0.2681656     3.307016 
1 1 1 20 17 13 f 100.646 1.5965 101.613  2.1691  101.296 1.8280 99.996  2.6180 1.300148       3.193013 
1 1 1 20 17 15 o 132.247 1.6003 175.259  2.9275  132.842 1.9707 131.652 2.5220 1.190857       3.200606 
1 1 1 20 17 17 o 88.789  1.5032 78.789   1.8701  87.934  1.9605 89.645  2.2792 -1.711449      3.006415 
1 1 1 20 17 19 o 237.386 1.9996 565.047  6.6050  238.570 2.5158 236.203 3.1087 2.367203       3.999150 
1 1 1 20 17 21 o 447.749 3.1478 2007.11  19.256  441.570 3.7596 453.928 5.0498 -12.35730      6.295593 
1 1 1 20 17 23 o 313.407 2.3781 981.835  10.340  307.363 2.9914 319.451 3.6977 -12.08792      4.756203 
1 1 1 20 17 25 o 113.564 1.6954 128.617  2.6682  111.071 2.1270 116.057 2.6408 -4.986130      3.390838 
1 1 1 20 17 27 o 72.653  2.0556 52.891   2.0897  71.888  2.6646 73.418  3.1308 -1.530937      4.111234 
1 1 1 20 17 29 o 95.543  1.8914 91.509   2.5397  93.873  2.5167 97.213  2.8243 -3.339462      3.782882 
1 1 1 20 17 31 o 53.445  3.2833 29.713   2.3429  56.982  3.5857 49.908  5.5013 7.073608       6.566685 
1 1 1 20 17 33 o 84.469  2.1112 72.073   2.5217  83.837  2.9702 85.100  3.0012 -1.263062      4.222485 
1 1 1 20 17 35 o 22.422  4.8741 5.3913   1.7553  25.740  6.8309 19.104  6.9545 6.636362       9.748131 
1 1 1 20 17 37 o 30.034  4.6247 10.095   1.8964  32.765  6.6625 27.304  6.4157 5.460987       9.249325 
1 1 1 20 17 39 o 13.473  4.3867 -3.3841  2.0432  16.048  6.9396 10.898  5.3679 5.150798       8.773408 
1 1 1 20 17 41 o 16.324  4.8574 1.3398   1.9427  15.264  6.7568 17.383  6.9801 -2.118898      9.714723 
1 1 1 20 17 43 f 17.222  5.1711 2.2449   2.2024  17.843  7.4059 16.601  7.2191 1.242338       10.34227 
1 1 1 20 18 0  o 95.090  1.8145 90.540   3.4479  95.090  1.8145 ?       ?      0.000000       0.000000 
1 1 1 20 18 2  o 230.336 1.9319 531.328  6.2891  226.399 2.7921 234.274 2.6710 -7.874985      3.863884 
1 1 1 20 18 4  o 254.779 2.2191 650.146  7.6683  255.010 2.5790 254.549 3.6121 0.4614258      4.438247 
1 1 1 20 18 6  o 164.252 1.7040 269.182  3.7441  162.975 1.9197 165.529 2.8159 -2.553528      3.408010 
1 1 1 20 18 8  o 58.999  1.4952 34.600   1.2246  57.272  1.8953 60.725  2.3132 -3.452957      2.990477 
1 1 1 20 18 10 o 133.197 1.5577 177.811  2.7583  133.674 1.7196 132.719 2.5979 0.9548645      3.115454 
1 1 1 20 18 12 o 133.754 1.6148 178.672  2.9761  132.603 1.9742 134.905 2.5558 -2.301666      3.229514 
1 1 1 20 18 14 o 133.661 1.5776 178.790  2.9412  133.460 2.0094 133.863 2.4326 -0.4026031     3.155191 
1 1 1 20 18 16 o 128.508 1.5689 165.374  2.8238  128.841 2.0319 128.175 2.3911 0.6659241      3.137819 
1 1 1 20 18 18 o 61.964  2.1503 38.345   1.8701  60.481  2.8504 63.447  3.2204 -2.965397      4.300635 
1 1 1 20 18 20 o 96.061  1.7677 92.515   2.3837  96.539  2.3149 95.584  2.6720 0.9548035      3.535307 
1 1 1 20 18 22 o 77.197  2.0429 60.184   2.1802  79.495  2.4899 74.899  3.2395 4.596382       4.085815 
1 1 1 20 18 24 o 44.292  2.7501 19.595   1.7027  46.276  4.1393 42.307  3.6221 3.968742       5.500300 
1 1 1 20 18 26 o 65.690  2.1323 43.354   1.9794  67.197  2.9456 64.183  3.0839 3.013176       4.264657 
1 1 1 20 18 28 o 87.159  1.7878 76.317   2.2024  86.531  2.5826 87.787  2.4729 -1.256386      3.575670 
1 1 1 20 18 30 o 95.263  1.8010 91.242   2.4263  95.363  2.5443 95.162  2.5497 0.2010727      3.601977 
1 1 1 20 18 32 o 45.054  3.0738 20.811   1.9427  43.660  4.6798 46.448  3.9866 -2.787056      6.147611 
1 1 1 20 18 34 o 28.610  4.5251 9.2731   2.0629  18.509  7.5777 38.711  4.9482 -20.20221      9.050187 
1 1 1 20 18 36 o 15.448  4.7445 -2.5306  2.2447  18.878  7.4161 12.018  5.9198 6.860325       9.489054 
1 1 1 20 18 38 o 20.992  5.3465 4.4695   2.0897  17.036  7.0019 24.947  8.0816 -7.911777      10.69291 
1 1 1 20 18 40 o 16.824  5.1439 1.0763   2.2056  15.567  6.7821 18.081  7.7358 -2.513275      10.28783 
1 1 1 20 18 42 o 15.128  4.9048 -1.4047  2.4263  16.866  7.4268 13.389  6.4088 3.476695       9.809689 
1 1 1 20 18 44 o 18.000  5.1737 3.0755   2.2348  15.870  7.3029 20.130  7.3304 -4.259699      10.34732 
1 1 1 20 19 1  o 246.801 2.1406 610.004  7.4700  245.828 3.0649 247.774 2.9893 -1.946228      4.281274 
1 1 1 20 19 3  o 174.378 1.7606 304.375  4.3418  174.799 2.4839 173.957 2.4959 0.8421631      3.521269 
1 1 1 20 19 5  o 230.579 2.1189 532.938  6.8811  232.589 2.8276 228.570 3.1566 4.019775       4.237856 
1 1 1 20 19 7  o 255.826 2.1099 657.071  7.4681  258.369 2.5949 253.282 3.3276 5.087097       4.219751 
1 1 1 20 19 9  o 129.132 1.4586 167.164  2.6309  130.327 1.8617 127.936 2.2459 2.391670       2.917169 
1 1 1 20 19 11 o 80.725  1.6228 65.105   1.8429  79.386  2.1716 82.063  2.4120 -2.676941      3.245560 
1 1 1 20 19 13 o 124.600 1.5578 155.393  2.6502  124.568 1.8453 124.632 2.5103 -0.6422424E-01 3.115560 
1 1 1 20 19 15 o 187.079 1.9485 350.951  4.9297  187.776 2.2442 186.382 3.1860 1.393616       3.897050 
1 1 1 20 19 17 o 44.615  2.6328 19.985   1.6601  45.545  3.6450 43.685  3.8002 1.860489       5.265691 
1 1 1 20 19 19 o 95.826  1.6765 91.038   2.2123  92.155  2.0786 99.496  2.6311 -7.340683      3.353097 
1 1 1 20 19 21 f 57.997  2.1521 33.871   1.7507  59.494  2.7904 56.499  3.2773 2.994678       4.304297 
1 1 1 20 19 23 o 87.134  1.8693 76.213   2.2915  87.553  2.4795 86.716  2.7980 0.8375778      3.738585 
1 1 1 20 19 25 o 92.968  2.1133 86.790   2.7771  90.775  3.0246 95.161  2.9523 -4.386665      4.226595 
1 1 1 20 19 27 o 103.435 1.7486 107.302  2.5397  102.450 2.3060 104.420 2.6293 -1.970345      3.497286 
1 1 1 20 19 29 o 74.925  2.0461 55.993   2.1409  70.982  2.6986 78.867  3.0765 -7.884720      4.092296 
1 1 1 20 19 31 o 73.953  2.0790 55.219   2.1634  74.040  3.1046 73.866  2.7661 0.1733856      4.158089 
1 1 1 20 19 33 o 52.812  2.6902 28.293   1.9865  55.337  4.0385 50.287  3.5552 5.049374       5.380419 
1 1 1 20 19 35 o 51.048  2.8354 26.861   2.0352  55.254  3.9290 46.843  4.0892 8.410839       5.670860 
1 1 1 20 19 37 o 17.307  5.0891 1.8197   1.9714  18.880  7.8324 15.734  6.5000 3.145782       10.17827 
1 1 1 20 19 39 o 17.010  5.0115 1.7319   2.0113  17.485  6.9153 16.535  7.2551 0.9498672      10.02291 
1 1 1 20 19 41 o 20.179  5.3787 4.7497   2.0585  20.057  6.9881 20.300  8.1785 -0.2428627     10.75738 
1 1 1 20 19 43 o 23.331  5.6517 7.6248   2.2827  26.829  8.3769 19.834  7.5890 6.994741       11.30334 
1 1 1 20 20 0  o 85.758  1.9380 73.683   3.3202  85.758  1.9380 ?       ?      0.000000       0.000000 
1 1 1 20 20 2  o 187.576 1.6850 352.263  4.4695  189.023 2.3645 186.130 2.4013 2.893372       3.370060 
1 1 1 20 20 4  o 198.204 1.7931 393.774  4.9958  196.466 2.6975 199.942 2.3631 -3.475937      3.586187 
1 1 1 20 20 6  o 144.138 1.6158 208.203  3.2855  142.007 2.3830 146.269 2.1826 -4.261536      3.231520 
1 1 1 20 20 8  o 113.890 1.7025 129.716  2.6502  113.462 2.0259 114.317 2.7368 -0.8546753     3.405067 
1 1 1 20 20 10 o 72.250  1.6902 52.017   1.7027  70.536  2.1725 73.963  2.5898 -3.427177      3.380382 
1 1 1 20 20 12 o 169.052 1.7070 286.886  4.0241  171.486 2.1595 166.618 2.6442 4.868408       3.413997 
1 1 1 20 20 14 o 166.710 1.7220 278.452  4.0482  167.696 2.3226 165.724 2.5429 1.971848       3.443917 
1 1 1 20 20 16 o 129.640 1.5680 168.350  2.8719  130.334 2.1556 128.946 2.2778 1.387283       3.136039 
1 1 1 20 20 18 o 72.207  2.0035 52.327   2.0412  72.965  2.7128 71.449  2.9491 1.516174       4.006992 
1 1 1 20 20 20 o 49.622  2.7300 24.774   1.9155  49.107  3.9007 50.137  3.8206 -1.029392      5.460051 
1 1 1 20 20 22 o 27.185  4.1696 7.8184   1.5637  24.090  6.2927 30.280  5.4721 -6.189968      8.339205 
1 1 1 20 20 24 o 74.283  2.0108 55.486   2.1071  71.231  2.9581 77.334  2.7246 -6.102882      4.021661 
1 1 1 20 20 26 o 58.820  2.5355 34.891   2.0993  59.275  3.7702 58.365  3.3914 0.9100113      5.071033 
1 1 1 20 20 28 o 92.062  1.8897 85.337   2.4578  90.667  2.7465 93.456  2.5962 -2.789215      3.779350 
1 1 1 20 20 30 o 50.824  3.4476 26.346   2.3882  49.800  4.1028 51.848  5.5418 -2.047165      6.895231 
1 1 1 20 20 32 o 71.975  2.4465 52.804   2.4902  71.576  3.4791 72.374  3.4407 -0.7984085     4.893080 
1 1 1 20 20 34 o 51.626  2.5394 27.352   1.8429  52.085  3.8003 51.168  3.3692 0.9171371      5.078755 
1 1 1 20 20 36 o 48.523  2.9316 24.354   1.9702  50.767  4.5278 46.279  3.7252 4.488464       5.863254 
1 1 1 20 20 38 o 15.886  4.7914 0.8684   1.9070  17.631  7.2365 14.140  6.2819 3.491446       9.582811 
1 1 1 20 20 40 o 17.142  5.0349 2.0979   1.9702  19.764  7.8335 14.520  6.3276 5.243555       10.06987 
1 1 1 20 20 42 o 17.787  5.3227 2.8750   2.2902  17.618  7.9692 17.957  7.0580 -0.3384552     10.64532 
1 1 1 20 21 1  o 412.185 3.0176 1705.25  17.586  407.920 4.2419 416.449 4.2930 -8.528931      6.035171 
1 1 1 20 21 3  o 215.376 1.9286 464.568  5.8735  216.899 2.7377 213.853 2.7170 3.045975       3.857101 
1 1 1 20 21 5  f 158.304 1.7398 250.897  3.8938  158.987 2.4900 157.622 2.4305 1.364624       3.479564 
1 1 1 20 21 7  o 91.954  1.6661 84.974   2.1004  90.690  2.6754 93.217  1.9864 -2.527031      3.332192 
1 1 1 20 21 9  o 93.376  1.5781 87.139   2.0511  92.668  1.9982 94.083  2.4432 -1.415756      3.156230 
1 1 1 20 21 11 o 125.350 1.6459 157.227  2.8768  124.958 2.0950 125.742 2.5390 -0.7837143     3.291702 
1 1 1 20 21 13 o 34.258  3.1180 11.835   1.4998  37.050  4.1360 31.467  4.6670 5.583683       6.236027 
1 1 1 20 21 15 o 108.307 1.7261 117.821  2.5789  109.365 2.1018 107.249 2.7386 2.115211       3.452162 
1 1 1 20 21 17 o 97.167  1.8596 94.690   2.5540  98.974  2.5805 95.360  2.6783 3.614182       3.719177 
1 1 1 20 21 19 o 84.257  1.6089 71.193   1.9155  86.265  2.2205 82.248  2.3289 4.016388       3.217854 
1 1 1 20 21 21 o 42.096  2.9625 17.899   1.7553  44.896  3.9822 39.296  4.3871 5.599781       5.924920 
1 1 1 20 21 23 o 66.982  2.0926 45.111   1.9773  67.755  2.8271 66.210  3.0860 1.545052       4.185205 
1 1 1 20 21 25 o 63.926  2.2586 41.032   2.0352  66.593  3.2600 61.260  3.1269 5.333092       4.517174 
1 1 1 20 21 27 o 18.052  4.8615 2.4996   1.6861  18.714  7.3109 17.389  6.4100 1.324949       9.723055 
1 1 1 20 21 29 o 30.561  4.8164 10.285   2.1385  23.327  7.8556 37.796  5.5749 -14.46869      9.632726 
1 1 1 20 21 31 o 19.193  5.1228 3.1585   1.9134  20.717  7.4607 17.669  7.0221 3.048328       10.24553 
1 1 1 20 21 33 o 14.819  4.4943 0.3277   1.6914  14.462  6.3147 15.175  6.3969 -0.7134743     8.988659 
1 1 1 20 21 35 o 36.790  3.3112 14.161   1.7027  40.626  4.7150 32.954  4.6502 7.672615       6.622337 
1 1 1 20 21 37 o 22.290  5.0429 5.6900   1.9427  18.221  7.3258 26.359  6.9321 -8.137039      10.08571 
1 1 1 20 21 39 o 22.325  5.4189 5.9797   2.2024  18.477  7.5733 26.173  7.7526 -7.696079      10.83776 
1 1 1 20 21 41 o 14.875  4.5089 -0.2879  1.8787  18.914  7.3269 10.836  5.2572 8.077742       9.017854 
1 1 1 20 22 0  o 421.501 4.1061 1780.15  34.607  421.501 4.1061 ?       ?      0.000000       0.000000 
1 1 1 20 22 2  o 301.565 2.3133 911.409  9.8648  298.698 3.2919 304.431 3.2509 -5.733673      4.626596 
1 1 1 20 22 4  o 77.655  1.8103 60.139   1.9464  78.957  2.8304 76.353  2.2579 2.603981       3.620646 
1 1 1 20 22 6  o 61.257  2.0968 37.179   1.7923  64.942  3.1462 57.572  2.7727 7.370743       4.193582 
1 1 1 20 22 8  o 97.525  1.6469 94.963   2.2447  99.083  2.5132 95.967  2.1291 3.116669       3.293819 
1 1 1 20 22 10 o 117.241 1.5626 137.375  2.5666  118.643 2.3680 115.839 2.0394 2.804451       3.125155 
1 1 1 20 22 12 o 157.311 1.7964 247.736  3.8753  156.790 2.1583 157.831 2.8723 -1.041473      3.592844 
1 1 1 20 22 14 o 202.381 1.8958 411.332  5.3529  204.226 2.4074 200.536 2.9293 3.689957       3.791582 
1 1 1 20 22 16 o 163.600 1.7726 268.750  4.0705  165.518 2.3146 161.681 2.6854 3.837311       3.545239 
1 1 1 20 22 18 o 80.365  1.8545 64.808   2.1071  81.517  2.5848 79.213  2.6600 2.304054       3.709006 
1 1 1 20 22 20 o 114.954 1.8315 132.354  2.8483  114.514 2.1188 115.394 2.9880 -0.8798599     3.662962 
1 1 1 20 22 22 o 114.290 1.6789 131.053  2.7133  115.487 2.3774 113.094 2.3712 2.393066       3.357783 
1 1 1 20 22 24 o 57.047  2.4118 32.658   1.9344  54.681  3.2695 59.413  3.5465 -4.731926      4.823616 
1 1 1 20 22 26 o 56.852  2.4221 32.677   1.9469  57.628  3.4347 56.076  3.4159 1.551361       4.844147 
1 1 1 20 22 28 o 18.412  5.2778 1.9155   2.1004  19.277  7.8945 17.548  7.0069 1.728870       10.55554 
1 1 1 20 22 30 o 41.469  3.2757 17.863   1.9134  38.674  4.7879 44.264  4.4718 -5.589821      6.551387 
1 1 1 20 22 32 o 29.997  4.2946 9.9607   1.7878  26.573  6.7200 33.421  5.3493 -6.847866      8.589160 
1 1 1 20 22 34 o 18.984  5.0189 3.2428   1.9218  16.736  7.1938 21.232  7.0004 -4.495655      10.03773 
1 1 1 20 22 36 o 27.664  5.7913 9.5204   2.3843  29.318  8.7255 26.009  7.6173 3.308809       11.58264 
1 1 1 20 22 38 o 22.640  5.4890 6.0824   2.3266  18.207  7.7070 27.072  7.8179 -8.865267      10.97802 
1 1 1 20 22 40 o 16.566  5.1172 1.6997   2.2626  17.249  7.4604 15.883  7.0062 1.365455       10.23450 
1 1 1 20 23 1  o 266.527 2.2452 712.046  8.4504  265.413 3.0793 267.641 3.2684 -2.228210      4.490474 
1 1 1 20 23 3  o 213.255 2.0009 455.629  6.0296  214.440 2.8882 212.069 2.7700 2.371078       4.001813 
1 1 1 20 23 5  o 126.555 1.5931 160.453  2.8238  126.239 2.4278 126.872 2.0634 -0.6336746     3.186190 
1 1 1 20 23 7  f 113.584 1.5920 129.003  2.5397  114.920 2.3891 112.248 2.1047 2.671753       3.183952 
1 1 1 20 23 9  o 97.777  1.7790 96.516   2.2986  96.006  2.9928 99.548  1.9242 -3.541580      3.558011 
1 1 1 20 23 11 o 171.288 1.7705 293.615  4.2437  172.818 2.6971 169.757 2.2944 3.061111       3.540975 
1 1 1 20 23 13 o 186.535 1.8578 349.873  4.7846  188.699 2.2671 184.370 2.9437 4.328568       3.715513 
1 1 1 20 23 15 o 110.530 1.7163 122.529  2.6817  112.292 2.3882 108.768 2.4655 3.523804       3.432514 
1 1 1 20 23 17 o 54.161  2.5413 29.818   1.9155  48.561  3.9445 59.761  3.2053 -11.19954      5.082636 
1 1 1 20 23 19 o 154.290 1.7035 238.731  3.6758  154.307 2.1931 154.273 2.6074 0.3425598E-01  3.407097 
1 1 1 20 23 21 f 94.702  1.7895 90.106   2.3906  94.888  2.4225 94.516  2.6346 0.3714981      3.579054 
1 1 1 20 23 23 o 49.834  3.9300 26.456   2.6039  42.451  6.6180 57.216  4.2406 -14.76546      7.860090 
1 1 1 20 23 25 o 22.664  4.6731 5.3466   1.6914  18.463  6.9176 26.865  6.2849 -8.401911      9.346280 
1 1 1 20 23 27 o 41.726  3.8604 18.290   2.2329  37.781  6.0841 45.671  4.7533 -7.890472      7.720741 
1 1 1 20 23 29 f 50.004  3.3888 26.112   2.3906  50.029  4.5946 49.979  4.9824 0.4974365E-01  6.777512 
1 1 1 20 23 31 o 57.889  2.7470 34.634   2.2056  57.939  4.2979 57.839  3.4222 0.9949875E-01  5.493978 
1 1 1 20 23 33 o 53.061  2.7708 29.680   2.0253  50.383  4.4356 55.740  3.3220 -5.356869      5.541629 
1 1 1 20 23 35 o 16.051  4.9732 0.2836   2.1690  17.294  7.3614 14.808  6.6888 2.486064       9.946373 
1 1 1 20 23 37 o 22.158  5.5854 6.0658   2.2348  23.787  7.9703 20.530  7.8271 3.257618       11.17090 
1 1 1 20 23 39 o 30.056  5.6571 12.980   2.5618  25.105  9.1720 35.007  6.6247 -9.902073      11.31427 
1 1 1 20 24 0  o 76.741  2.4182 59.126   3.7033  76.741  2.4182 ?       ?      0.000000       0.000000 
1 1 1 20 24 2  f 93.284  1.6209 87.012   2.1347  90.040  2.2692 96.528  2.3152 -6.487251      3.241802 
1 1 1 20 24 4  f 80.765  1.6810 65.464   1.9134  79.257  2.4974 82.272  2.2507 -3.014923      3.361899 
1 1 1 20 24 6  o 150.678 1.6686 227.515  3.5204  150.589 2.5440 150.766 2.1599 -0.1764526     3.337235 
1 1 1 20 24 8  o 126.932 1.7152 161.338  3.0316  127.430 2.6556 126.433 2.1716 0.9980164      3.430459 
1 1 1 20 24 10 o 54.275  2.6124 29.817   1.8590  53.391  4.4249 55.159  2.7782 -1.768215      5.224729 
1 1 1 20 24 12 o 154.403 1.7689 238.322  3.8416  158.402 2.6201 150.404 2.3774 7.998184       3.537895 
1 1 1 20 24 14 o 103.566 1.7257 107.733  2.5217  106.652 2.3349 100.480 2.5418 6.172493       3.451438 
1 1 1 20 24 16 o 29.442  4.2842 9.1306   1.7240  29.112  6.1160 29.772  6.0011 -0.6602287     8.568499 
1 1 1 20 24 18 o 61.747  2.3757 38.308   2.0707  59.491  3.3272 64.002  3.3919 -4.511028      4.751345 
1 1 1 20 24 20 o 16.923  4.6361 1.7367   1.5324  20.189  7.3325 13.658  5.6751 6.531445       9.272154 
1 1 1 20 24 22 o 47.353  3.3033 22.886   2.1913  46.883  5.0391 47.824  4.2724 -0.9408989     6.606520 
1 1 1 20 24 24 o 71.021  2.2356 51.137   2.2275  72.549  2.9043 69.494  3.3995 3.055489       4.471251 
1 1 1 20 24 26 o 37.720  3.9562 14.806   2.0993  37.796  5.9127 37.645  5.2580 0.1512794      7.912418 
1 1 1 20 24 28 o 37.303  5.7304 16.225   2.5681  40.159  4.7698 34.448  10.421 5.711231       11.46083 
1 1 1 20 24 30 o 66.332  2.5953 45.393   2.4112  66.214  3.9536 66.449  3.3631 -0.2345963     5.190547 
1 1 1 20 24 32 f 40.181  3.8376 17.176   2.0789  42.176  6.2070 38.186  4.5146 3.989445       7.675200 
1 1 1 20 24 34 o 30.452  4.9122 11.045   2.0707  32.472  6.8938 28.431  6.9995 4.041351       9.824359 
1 1 1 20 24 36 o 20.677  5.4881 4.9970   2.2024  19.254  7.6945 22.101  7.8278 -2.846714      10.97629 
1 1 1 20 24 38 o 20.552  5.2879 5.3215   2.0253  23.892  7.9703 17.211  6.9515 6.680637       10.57585 
1 1 1 20 25 1  o 163.925 1.7765 269.371  4.1181  163.363 2.5014 164.487 2.5232 -1.123260      3.552966 
1 1 1 20 25 3  o 63.404  2.0597 40.737   1.8057  60.515  3.2709 66.292  2.5042 -5.776890      4.119431 
1 1 1 20 25 5  o 81.131  1.8683 66.084   2.1347  80.255  2.7846 82.007  2.4915 -1.752472      3.736514 
1 1 1 20 25 7  o 53.614  2.6086 29.047   1.9050  52.794  4.2330 54.435  3.0497 -1.641232      5.217215 
1 1 1 20 25 9  o 46.671  2.9749 21.905   1.8112  46.859  5.0417 46.484  3.1593 0.3745461      5.949769 
1 1 1 20 25 11 f 90.221  2.0782 81.576   2.5416  90.656  3.3807 89.786  2.4179 0.8701859      4.156353 
1 1 1 20 25 13 o 64.058  2.3137 41.053   2.0157  64.903  3.7384 63.214  2.7272 1.688618       4.627427 
1 1 1 20 25 15 o 29.659  4.7497 9.3787   1.9050  28.907  7.6216 30.411  5.6701 -1.504128      9.499408 
1 1 1 20 25 17 o 82.096  1.8774 67.751   2.1540  82.172  2.4088 82.020  2.8804 0.1520615      3.754851 
1 1 1 20 25 19 o 68.326  2.0515 46.961   1.9711  67.981  2.7238 68.671  3.0684 -0.6895752     4.102916 
1 1 1 20 25 21 o 49.668  3.0499 25.075   2.1347  46.430  4.4007 52.905  4.2241 -6.475826      6.099887 
1 1 1 20 25 23 o 92.563  1.9758 86.476   2.5855  90.746  2.8145 94.381  2.7737 -3.634491      3.951558 
1 1 1 20 25 25 o 55.233  2.7799 31.369   2.1004  54.082  4.4864 56.383  3.2841 -2.301155      5.559894 
1 1 1 20 25 27 o 20.604  5.4087 3.9454   2.1347  18.204  7.3229 23.003  7.9619 -4.799183      10.81742 
1 1 1 20 25 29 o 26.984  5.2728 8.4283   2.2348  32.870  7.0064 21.097  7.8817 11.77310       10.54562 
1 1 1 20 25 31 o 16.703  4.8299 1.8819   1.7744  17.264  7.2386 16.141  6.3965 1.122494       9.659855 
1 1 1 20 25 33 o 19.247  5.2379 3.7722   2.0108  19.612  7.3987 18.881  7.4164 0.7314758      10.47585 
1 1 1 20 25 35 o 21.165  5.3125 4.6583   2.1654  27.408  8.3408 14.923  6.5820 12.48551       10.62508 
1 1 1 20 25 37 f 26.662  5.6904 10.099   2.3266  26.028  8.2902 27.296  7.7971 -1.267488      11.38077 
1 1 1 20 26 0  o 29.616  7.7517 10.471   3.9587  29.616  7.7517 ?       ?      0.000000       0.000000 
1 1 1 20 26 2  o 116.028 1.7920 134.890  2.9246  117.023 2.6735 115.033 2.3868 1.990349       3.583929 
1 1 1 20 26 4  o 176.813 1.8389 312.857  4.5751  180.458 2.7245 173.169 2.4704 7.288742       3.677710 
1 1 1 20 26 6  f 131.133 1.6360 172.426  3.0326  132.207 2.2699 130.058 2.3565 2.149246       3.271932 
1 1 1 20 26 8  o 110.305 1.7237 121.769  2.6574  111.463 2.6351 109.147 2.2230 2.316322       3.447495 
1 1 1 20 26 10 o 26.111  5.2576 6.9437   1.9155  28.137  8.4241 24.086  6.2933 4.050835       10.51527 
1 1 1 20 26 12 o 26.348  5.1545 7.2100   1.8648  26.946  8.4976 25.751  5.8367 1.194910       10.30906 
1 1 1 20 26 14 o 15.012  4.4429 -0.3033  1.6761  13.802  6.4649 16.221  6.0962 -2.418840      8.885875 
1 1 1 20 26 16 o 47.812  3.3963 22.972   2.2702  52.660  4.8500 42.963  4.7558 9.697659       6.792629 
1 1 1 20 26 18 o 131.928 1.8946 175.813  3.4932  134.821 2.4153 129.034 2.9195 5.787247       3.789116 
1 1 1 20 26 20 o 117.251 1.9074 138.603  3.1603  120.617 2.6468 113.884 2.7473 6.733772       3.814845 
1 1 1 20 26 22 o 72.659  2.4683 53.780   2.5120  71.007  3.7767 74.312  3.1791 -3.304680      4.936634 
1 1 1 20 26 24 o 17.402  4.9875 1.6230   1.9608  16.193  7.0782 18.611  7.0284 -2.418289      9.974936 
1 1 1 20 26 26 o 23.169  5.0080 5.8248   1.9711  18.466  7.4331 27.872  6.7134 -9.406151      10.01601 
1 1 1 20 26 28 o 26.611  5.3570 8.3231   2.1409  24.483  8.3048 28.739  6.7690 -4.255358      10.71401 
1 1 1 20 26 30 o 27.846  5.4924 9.4445   2.2555  29.323  7.2234 26.369  8.2759 2.954306       10.98485 
1 1 1 20 26 32 o 54.040  2.9700 30.977   2.2555  54.512  4.4510 53.568  3.9335 0.9442139      5.940003 
1 1 1 20 26 34 o 39.185  4.3539 17.159   2.2583  43.637  7.0235 34.733  5.1473 8.903790       8.707750 
1 1 1 20 26 36 o 27.679  5.2375 10.260   2.1802  34.068  7.3320 21.291  7.4812 12.77693       10.47503 
1 1 1 20 27 1  o 240.987 2.1173 583.194  7.2128  241.154 3.0449 240.819 2.9430 0.3347626      4.234692 
1 1 1 20 27 3  o 151.826 1.8354 231.453  3.9058  150.949 2.7918 152.703 2.3834 -1.753983      3.670754 
1 1 1 20 27 5  o 83.839  2.0886 70.816   2.4379  82.511  3.2501 85.167  2.6240 -2.656342      4.177164 
1 1 1 20 27 7  o 57.565  2.7741 33.633   2.2183  55.748  4.3523 59.382  3.4408 -3.634342      5.548116 
1 1 1 20 27 9  o 31.539  4.8371 10.773   2.0123  28.514  8.3978 34.564  4.8030 -6.050455      9.674248 
1 1 1 20 27 11 o 56.439  2.6099 32.013   1.9454  56.998  4.3689 55.880  2.8566 1.117939       5.219882 
1 1 1 20 27 13 o 94.045  2.0258 89.368   2.5848  92.734  3.3050 95.356  2.3436 -2.621681      4.051577 
1 1 1 20 27 15 o 90.767  2.0204 81.695   2.4973  95.111  3.2224 86.423  2.4381 8.688332       4.040788 
1 1 1 20 27 17 o 50.295  3.4651 26.044   2.0992  49.560  6.1840 51.030  3.1281 -1.470119      6.930135 
1 1 1 20 27 19 o 42.124  3.6608 18.560   2.1271  39.296  5.8495 44.952  4.4033 -5.655811      7.321598 
1 1 1 20 27 21 o 60.612  3.0100 37.479   2.4758  61.546  4.8760 59.677  3.5308 1.868793       6.020072 
1 1 1 20 27 23 o 43.761  3.5618 20.082   2.1987  46.145  4.9812 41.377  5.0924 4.768543       7.123561 
1 1 1 20 27 25 o 26.549  5.2055 8.1868   2.0412  24.013  7.4626 29.086  7.2593 -5.073479      10.41099 
1 1 1 20 27 27 o 23.434  5.1570 5.5356   2.1913  30.975  7.6599 15.893  6.9068 15.08270       10.31400 
1 1 1 20 27 29 o 18.414  5.2924 2.6517   2.1634  18.767  7.4021 18.061  7.5660 0.7057343      10.58471 
1 1 1 20 27 31 o 20.451  5.5250 4.2090   2.3735  17.775  7.7713 23.126  7.8556 -5.351082      11.05007 
1 1 1 20 27 33 o 23.684  4.8640 7.1924   1.8701  19.132  7.4374 28.236  6.2704 -9.104324      9.727924 
1 1 1 20 27 35 o 23.268  5.7427 7.8312   2.3349  22.426  8.4944 24.111  7.7303 -1.684752      11.48531 
1 1 1 20 28 0  o 85.907  3.0558 74.322   5.2357  85.907  3.0558 ?       ?      0.000000       0.000000 
1 1 1 20 28 2  o 98.197  1.9777 96.989   2.7456  96.734  2.8383 99.660  2.7549 -2.926025      3.955419 
1 1 1 20 28 4  o 99.324  1.8285 99.394   2.5397  97.712  2.8098 100.935 2.3406 -3.222359      3.656991 
1 1 1 20 28 6  o 80.143  2.0010 64.635   2.2662  79.340  2.8972 80.947  2.7608 -1.606789      4.001951 
1 1 1 20 28 8  o 72.735  2.3986 52.742   2.3882  75.483  3.8065 69.987  2.9194 5.496750       4.797143 
1 1 1 20 28 10 o 72.762  2.2414 53.368   2.2827  72.800  3.4206 72.724  2.8974 0.7634735E-01  4.482726 
1 1 1 20 28 12 o 100.463 2.2050 101.772  3.0227  100.548 3.5561 100.378 2.6080 0.1702728      4.409970 
1 1 1 20 28 14 o 62.902  2.5719 40.591   2.1892  60.398  4.2287 65.406  2.9287 -5.008198      5.143812 
1 1 1 20 28 16 o 43.056  4.0981 20.317   2.1180  38.813  7.3411 47.299  3.6448 -8.486332      8.196123 
1 1 1 20 28 18 o 30.605  5.6337 9.4106   2.1218  36.057  9.4486 25.152  6.1382 10.90516       11.26731 
1 1 1 20 28 20 o 45.731  3.6035 21.958   2.3301  46.258  5.1072 45.204  5.0850 1.054165       7.206990 
1 1 1 20 28 22 o 42.645  3.3166 19.102   1.9608  41.561  5.2235 43.730  4.0883 -2.169621      6.633173 
1 1 1 20 28 24 o 39.551  3.8059 16.787   2.1051  37.051  5.8593 42.051  4.8589 -4.999916      7.611877 
1 1 1 20 28 26 o 23.294  5.5084 6.1651   2.2915  19.434  7.9160 27.153  7.6622 -7.718529      11.01688 
1 1 1 20 28 28 o 20.498  5.6978 4.1760   2.4247  20.061  8.3277 20.936  7.7788 -0.8746758     11.39565 
1 1 1 20 28 30 f 46.656  3.5968 23.921   2.3607  48.419  4.7474 44.893  5.4046 3.525429       7.193578 
1 1 1 20 28 32 o 55.049  2.9908 33.012   2.1907  53.588  5.0044 56.510  3.2767 -2.922260      5.981669 
1 1 1 20 29 1  o 31.930  5.2378 11.112   2.3266  29.472  8.0201 34.387  6.7391 -4.914875      10.47554 
1 1 1 20 29 3  f 73.628  2.1520 54.408   2.2056  75.037  3.3186 72.219  2.7408 2.818199       4.304048 
1 1 1 20 29 5  o 52.393  3.0156 27.565   2.1892  54.954  4.6476 49.833  3.8439 5.121475       6.031202 
1 1 1 20 29 7  o 32.068  4.9572 11.071   2.0987  30.457  8.4908 33.678  5.1189 -3.221605      9.914444 
1 1 1 20 29 9  o 65.056  2.4674 42.794   2.2555  65.540  3.7020 64.572  3.2631 0.9679031      4.934892 
1 1 1 20 29 11 o 32.198  5.1899 11.652   2.2227  28.090  9.1373 36.306  4.9242 -8.216194      10.37971 
1 1 1 20 29 13 o 17.244  5.2049 0.2961   2.0358  21.439  8.6024 13.049  5.8619 8.389985       10.40973 
1 1 1 20 29 15 o 23.594  5.8709 5.4518   2.2544  24.813  9.4518 22.375  6.9667 2.438345       11.74187 
1 1 1 20 29 17 o 36.797  5.0758 14.627   2.2695  37.561  8.9536 36.034  4.7843 1.527138       10.15167 
1 1 1 20 29 19 o 49.278  3.9639 24.446   2.2925  52.427  7.0638 46.128  3.5989 6.298496       7.927736 
1 1 1 20 29 21 o 29.362  4.8506 9.8845   1.9711  29.246  6.5018 29.479  7.1999 -0.2326756     9.701125 
1 1 1 20 29 23 o 39.015  4.8378 17.219   2.6116  41.289  6.6496 36.742  7.0284 4.547539       9.675516 
1 1 1 20 29 25 o 29.399  5.4068 10.586   2.4246  23.067  8.3621 35.731  6.8564 -12.66440      10.81360 
1 1 1 20 29 27 o 20.782  5.6014 4.4923   2.3091  23.903  8.4879 17.662  7.3113 6.240891       11.20270 
1 1 1 20 29 29 o 14.694  4.8224 -1.9104  2.3599  16.196  7.3903 13.193  6.1973 3.002744       9.644858 
1 1 1 20 29 31 o 13.099  4.4381 -3.7715  2.3196  13.616  6.5115 12.583  6.0322 1.033640       8.876245 
1 1 1 20 30 0  o 109.855 2.8522 121.444  6.2573  109.855 2.8522 ?       ?      0.000000       0.000000 
1 1 1 20 30 2  o 73.095  2.4721 54.145   2.5540  74.493  3.4285 71.697  3.5622 2.795280       4.944118 
1 1 1 20 30 4  o 65.564  2.5612 43.677   2.3469  64.855  3.9381 66.273  3.2757 -1.418045      5.122366 
1 1 1 20 30 6  f 60.189  2.9202 36.609   2.3650  61.501  4.7757 58.877  3.3619 2.624081       5.840373 
1 1 1 20 30 8  o 65.994  2.6157 43.969   2.3658  67.466  4.1642 64.522  3.1667 2.944809       5.231484 
1 1 1 20 30 10 o 64.386  2.7112 40.995   2.3086  68.701  4.4611 60.070  3.0825 8.631035       5.422446 
1 1 1 20 30 12 o 18.167  5.1705 1.2563   2.0708  17.312  7.9673 19.021  6.5922 -1.709002      10.34090 
1 1 1 20 30 14 o 19.536  5.4764 2.4661   2.3086  18.507  8.2231 20.566  7.2349 -2.059416      10.95276 
1 1 1 20 30 16 o 33.870  5.6126 13.925   2.7377  26.583  9.7371 41.156  5.5851 -14.57285      11.22521 
1 1 1 20 30 18 o 30.021  5.6145 10.627   2.3384  29.190  9.2120 30.852  6.4210 -1.662140      11.22898 
1 1 1 20 30 20 o 40.519  3.9670 17.243   2.0870  41.902  6.7047 39.135  4.2420 2.767021       7.933908 
1 1 1 20 30 22 o 70.609  2.8510 51.214   2.7377  66.764  3.4429 74.454  4.5452 -7.690590      5.701964 
1 1 1 20 30 24 o 54.952  3.7019 33.007   2.8410  49.544  5.6706 60.360  4.7602 -10.81650      7.403752 
1 1 1 20 30 26 o 32.649  4.6441 12.438   1.9921  31.952  7.8414 33.346  4.9784 -1.394110      9.288266 
1 1 1 20 30 28 o 22.814  5.8384 6.9866   2.3994  23.919  8.6771 21.709  7.8138 2.209795       11.67677 
1 1 1 20 30 30 o 22.057  5.5704 6.7570   2.1987  22.330  8.0400 21.783  7.7121 0.5474777      11.14087 
1 1 1 20 31 1  o 129.485 1.9882 169.184  3.6294  128.001 2.6937 130.969 2.9251 -2.967941      3.976480 
1 1 1 20 31 3  o 66.936  2.7579 45.916   2.5666  65.106  4.3151 68.765  3.4355 -3.659485      5.515747 
1 1 1 20 31 5  o 39.173  4.1335 16.470   2.1409  36.660  6.8723 41.686  4.5951 -5.025871      8.267015 
1 1 1 20 31 7  o 82.603  2.1826 68.684   2.4312  84.271  3.5611 80.935  2.5245 3.335930       4.365173 
1 1 1 20 31 9  o 49.366  3.7515 26.088   2.4538  46.387  6.3318 52.345  4.0253 -5.958427      7.502990 
1 1 1 20 31 11 o 51.320  3.5209 27.097   2.3762  53.215  5.8793 49.424  3.8757 3.791096       7.041784 
1 1 1 20 31 13 o 20.096  5.6327 2.7982   2.4758  18.605  8.2182 21.586  7.7051 -2.981291      11.26535 
1 1 1 20 31 15 o 28.442  5.8881 9.7228   2.5397  26.753  8.8343 30.131  7.7866 -3.378462      11.77611 
1 1 1 20 31 17 o 26.677  5.3056 8.2698   2.3762  20.484  8.7144 32.871  6.0543 -12.38722      10.61116 
1 1 1 20 31 19 o 21.175  5.7432 4.4185   2.2067  24.697  9.2294 17.652  6.8379 7.045315       11.48646 
1 1 1 20 31 21 o 39.152  4.5183 16.270   2.0242  41.706  8.0968 36.598  4.0126 5.107960       9.036594 
1 1 1 20 31 23 o 23.266  5.7988 6.5127   2.4196  20.113  7.8741 26.419  8.5148 -6.306038      11.59758 
1 1 1 20 31 25 o 24.019  5.3519 6.9777   2.4099  18.329  8.1090 29.709  6.9869 -11.37953      10.70381 
1 1 1 20 31 27 f 26.868  5.7085 10.072   2.3944  24.010  9.3043 29.726  6.6165 -5.715822      11.41702 
1 1 1 20 31 29 o 21.049  5.7746 5.9823   2.4640  24.011  8.7729 18.088  7.5112 5.923218       11.54911 
1 1 1 20 32 0  o 117.349 2.9969 139.194  7.0236  117.349 2.9969 ?       ?      0.000000       0.000000 
1 1 1 20 32 2  o 90.704  2.4050 84.208   3.0316  90.209  3.7514 91.199  3.0105 -0.9902802     4.809982 
1 1 1 20 32 4  o 20.365  5.9645 2.5874   2.7383  21.553  9.0159 19.177  7.8111 2.376728       11.92894 
1 1 1 20 32 6  o 83.084  2.5902 69.889   2.9358  86.643  4.1268 79.525  3.1313 7.118668       5.180332 
1 1 1 20 32 8  o 70.213  2.9299 50.345   2.8263  73.530  4.6023 66.896  3.6270 6.634315       5.859735 
1 1 1 20 32 10 f 63.333  3.4669 42.121   2.7188  62.824  6.0980 63.841  3.3005 -1.016514      6.933877 
1 1 1 20 32 12 o 25.305  5.9457 7.1316   2.2921  28.294  9.5263 22.316  7.1171 5.977955       11.89134 
1 1 1 20 32 14 o 23.899  5.9362 6.4271   2.4538  23.837  9.0067 23.961  7.7351 -0.1241131     11.87231 
1 1 1 20 32 16 o 35.352  5.7912 15.634   2.5681  31.137  10.522 39.568  4.8411 -8.431253      11.58237 
1 1 1 20 32 18 o 57.171  3.8841 33.635   2.5728  60.500  6.9655 53.842  3.4391 6.657887       7.768240 
1 1 1 20 32 20 o 39.635  5.6874 19.363   2.8229  37.186  10.059 42.085  5.3102 -4.898563      11.37479 
1 1 1 20 32 22 o 23.750  5.3404 6.2961   2.4019  18.735  8.7175 28.766  6.1712 -10.03020      10.68073 
1 1 1 20 32 24 o 15.624  5.0028 -0.1657  2.3349  17.389  7.6791 13.860  6.4145 3.529400       10.00569 
1 1 1 20 32 26 o 21.897  6.1089 6.7116   2.6919  23.034  9.3599 20.761  7.8528 2.272686       12.21777 
1 1 1 20 33 1  f 15.464  4.9875 -1.8953  2.4112  15.930  7.2822 14.997  6.8171 0.9336281      9.975095 
1 1 1 20 33 3  o 20.931  5.6861 3.8041   2.3994  24.435  8.6955 17.427  7.3291 7.007524       11.37223 
1 1 1 20 33 5  o 56.961  3.5893 34.628   2.7979  55.035  5.8009 58.888  4.2287 -3.852512      7.178582 
1 1 1 20 33 7  f 86.576  2.5032 77.595   3.0164  83.261  3.9110 89.891  3.1254 -6.629677      5.006416 
1 1 1 20 33 9  o 81.717  2.9039 69.764   3.1987  80.098  4.7829 83.335  3.2946 -3.236633      5.807818 
1 1 1 20 33 11 o 44.204  4.6111 22.926   2.4247  38.733  8.3170 49.675  3.9846 -10.94218      9.222200 
1 1 1 20 33 13 o 55.261  4.4996 33.115   3.0359  56.307  7.9378 54.215  4.2398 2.091763       8.999125 
1 1 1 20 33 15 o 29.920  5.6602 10.520   2.2389  32.506  9.3303 27.335  6.4109 5.170204       11.32050 
1 1 1 20 33 17 o 27.939  7.3523 9.5734   3.0146  33.139  12.576 22.739  7.6210 10.39919       14.70457 
1 1 1 20 33 19 o 36.405  5.5359 18.156   2.7983  26.118  9.9172 46.693  4.9228 -20.57568      11.07183 
1 1 1 20 33 21 o 21.393  6.2473 5.1216   2.6953  25.631  10.242 17.156  7.1567 8.475788       12.49453 
1 1 1 20 33 23 o 23.400  5.8509 7.5697   2.4802  21.619  9.0767 25.181  7.3855 -3.561884      11.70177 
1 1 1 20 33 25 o 35.226  5.6061 17.290   2.7441  30.946  8.4363 39.507  7.3851 -8.561329      11.21214 
1 1 1 20 34 0  o 24.819  10.904 9.9607   5.6188  24.819  10.904 ?       ?      0.000000       0.000000 
1 1 1 20 34 2  o 49.522  3.8967 26.708   2.6270  48.352  6.3386 50.693  4.5344 -2.340576      7.793478 
1 1 1 20 34 4  o 40.209  5.5661 19.709   2.9922  35.276  9.4147 45.142  5.9406 -9.866726      11.13226 
1 1 1 20 34 6  o 20.735  6.1021 3.4021   2.8247  22.810  9.4406 18.660  7.7341 4.150835       12.20414 
1 1 1 20 34 8  o 36.555  5.8235 16.090   2.7983  37.031  9.5841 36.079  6.6181 0.9525948      11.64704 
1 1 1 20 34 10 o 31.365  5.8029 12.060   2.5182  31.871  9.2654 30.859  6.9891 1.011635       11.60586 
1 1 1 20 34 12 o 24.708  6.3490 7.2577   2.7314  28.586  9.9724 20.830  7.8605 7.756081       12.69792 
1 1 1 20 34 14 o 18.315  5.7325 0.3533   2.6689  23.430  9.6443 13.199  6.1995 10.23061       11.46502 
1 1 1 20 34 16 o 20.641  5.8998 4.3343   2.6291  20.911  8.8455 20.370  7.8094 0.5408173      11.79953 
1 1 1 20 34 18 o 22.244  5.7460 6.3589   2.4099  20.729  8.6098 23.759  7.6117 -3.029902      11.49200 
1 1 1 20 34 20 o 22.717  5.9848 6.9002   2.7377  20.218  8.8374 25.216  8.0729 -4.998379      11.96966 
1 1 1 20 34 22 o 15.917  5.1735 -0.0668  2.5971  16.539  7.7937 15.294  6.8059 1.244704       10.34704 
1 1 1 20 35 1  o 21.817  5.9359 5.1679   2.5855  21.421  8.3177 22.213  8.4708 -0.7924480     11.87171 
1 1 1 20 35 3  o 26.120  5.9447 8.4693   2.6680  21.904  8.7340 30.336  8.0669 -8.431765      11.88941 
1 1 1 20 35 5  o 35.627  5.6823 15.915   2.7964  32.294  8.9751 38.959  6.9714 -6.665253      11.36453 
1 1 1 20 35 7  o 26.491  6.2384 8.8277   2.6505  30.038  9.6079 22.944  7.9599 7.093685       12.47686 
1 1 1 20 35 9  o 35.342  5.8534 16.175   2.8451  30.981  10.082 39.703  5.9504 -8.721926      11.70671 
1 1 1 20 35 11 o 24.997  6.2561 8.1312   2.7606  24.246  9.4694 25.749  8.1783 -1.502985      12.51217 
1 1 1 20 35 13 o 42.531  5.2569 21.969   2.9358  42.239  8.7591 42.822  5.8152 -0.5827751     10.51373 
1 1 1 20 35 15 f 42.616  5.4983 24.871   2.9761  31.673  9.8505 53.559  4.8879 -21.88518      10.99655 
1 1 1 20 35 17 o 48.825  3.9777 27.945   2.5416  45.072  6.7999 52.578  4.1290 -7.506073      7.955319 
1 1 1 20 35 19 o 33.289  5.4222 17.075   2.9085  21.832  9.5506 44.746  5.1371 -22.91398      10.84449 
1 1 1 20 36 0  o 24.831  11.811 11.110   6.6404  24.831  11.811 ?       ?      0.000000       0.000000 
1 1 1 20 36 2  o 21.631  6.3594 4.1819   3.2632  18.015  8.0663 25.248  9.8338 -7.233673      12.71886 
1 1 1 20 36 4  o 25.233  6.2161 8.3718   2.7084  24.994  9.2513 25.473  8.3048 -0.4790154     12.43212 
1 1 1 20 36 6  o 17.108  5.7760 -3.4122  3.4901  19.508  9.2175 14.707  6.9633 4.801220       11.55203 
1 1 1 20 36 8  o 17.955  5.8459 0.0688   3.1434  20.518  9.2891 15.392  7.1002 5.125439       11.69188 
1 1 1 20 36 10 o 18.206  5.7440 1.5220   2.9710  18.274  8.5310 18.139  7.6940 0.1352730      11.48803 
1 1 1 20 36 12 o 22.977  5.7895 7.0425   2.5383  19.959  8.4656 25.994  7.8997 -6.034651      11.57898 
1 1 1 20 36 14 o 19.386  5.4787 3.5456   2.5781  16.527  7.7679 22.246  7.7280 -5.719696      10.95733 
1 1 1 20 36 16 o 24.674  5.9847 9.1544   2.7218  20.770  8.6695 28.577  8.2525 -7.807289      11.96933 
1 1 1 20 37 1  o 53.210  4.2758 33.330   3.1925  57.050  5.5960 49.370  6.4665 7.679771       8.551634 
1 1 1 20 37 3  o 41.080  5.4249 21.808   3.0595  47.371  6.7394 34.789  8.5028 12.58217       10.84979 
1 1 1 20 37 5  o 21.866  6.3848 6.2434   3.1862  21.639  8.6925 22.094  9.3543 -0.4554996     12.76956 
1 1 1 20 37 7  o 35.697  6.0183 18.225   3.0648  30.613  10.082 40.782  6.5758 -10.16875      12.03667 
1 1 1 20 37 9  o 39.084  6.1724 22.991   3.3741  30.757  10.755 47.411  6.0603 -16.65432      12.34473 
1 1 1 20 37 11 o 53.689  4.2620 34.350   3.1533  55.272  6.7002 52.105  5.2693 3.167377       8.523956 
1 1 1 20 38 0  o 45.861  6.8404 24.519   6.0019  45.861  6.8404 ?       ?      0.000000       0.000000 
1 1 1 20 38 2  o 40.160  5.0518 20.765   2.6728  41.410  5.5508 38.909  8.4422 2.501358       10.10354 
1 1 1 21 1  0  o 39.073  3.8257 15.707   2.9371  39.073  3.8257 ?       ?      0.000000       0.000000 
1 1 1 21 1  2  o 514.534 3.4494 2650.34  25.080  514.627 4.9877 514.442 4.7661 0.1849976      6.898708 
1 1 1 21 1  4  o 296.692 2.2148 880.798  9.2875  295.625 3.1966 297.760 3.0664 -2.135345      4.429574 
1 1 1 21 1  6  o 164.861 1.7007 271.743  3.9423  165.478 2.5466 164.245 2.2548 1.233154       3.401377 
1 1 1 21 1  8  o 153.281 1.6678 234.774  3.5847  154.340 2.5236 152.223 2.1812 2.117142       3.335549 
1 1 1 21 1  10 o 206.790 1.7366 427.906  5.0743  205.399 2.5180 208.181 2.3923 -2.781769      3.473226 
1 1 1 21 1  12 o 97.197  1.3725 94.525   1.8787  96.933  2.0420 97.461  1.8344 -0.5281677     2.744939 
1 1 1 21 1  14 o 94.430  1.6706 88.322   2.2056  99.970  2.4909 88.891  2.2267 11.07937       3.341115 
1 1 1 21 1  16 o 156.779 1.8411 247.437  3.8555  154.297 3.0622 159.261 2.0447 -4.963943      3.682123 
1 1 1 21 1  18 o 96.444  1.5918 92.983   2.1690  99.521  2.2455 93.367  2.2567 6.154083       3.183591 
1 1 1 21 1  20 o 170.540 1.7178 291.288  4.0765  171.299 2.1619 169.780 2.6702 1.519424       3.435625 
1 1 1 21 1  22 o 79.095  1.6849 62.405   1.8701  77.364  2.2284 80.825  2.5279 -3.461090      3.369889 
1 1 1 21 1  24 o 100.482 1.7105 100.929  2.4112  99.569  2.2444 101.396 2.5818 -1.827133      3.421023 
1 1 1 21 1  26 o 130.182 1.8288 169.560  3.2208  129.869 2.1141 130.494 2.9847 -0.6244812     3.657591 
1 1 1 21 1  28 o 158.723 1.7920 252.211  4.0216  156.233 2.5339 161.214 2.5348 -4.981323      3.584075 
1 1 1 21 1  30 o 75.834  1.6685 57.308   1.7673  73.701  2.1659 77.966  2.5387 -4.265137      3.337079 
1 1 1 21 1  32 o 153.251 1.7460 234.814  3.7141  151.463 2.1921 155.039 2.7181 -3.576447      3.491904 
1 1 1 21 1  34 o 122.856 1.6735 151.368  2.9020  123.386 2.2769 122.326 2.4533 1.060219       3.347085 
1 1 1 21 1  36 o 31.834  4.4819 10.777   1.9469  33.125  6.2049 30.544  6.4692 2.581074       8.963894 
1 1 1 21 1  38 f 46.424  3.0136 21.804   1.9608  44.715  3.9982 48.133  4.5102 -3.417629      6.027273 
1 1 1 21 1  40 o 28.281  5.2318 8.8940   2.0507  29.852  5.7670 26.711  8.7310 3.140656       10.46369 
1 1 1 21 1  42 o 38.472  3.8124 15.611   1.9714  38.235  4.3419 38.710  6.2679 -0.4751625     7.624898 
1 1 1 21 1  44 o 39.656  3.9799 17.064   2.2183  41.918  5.7882 37.394  5.4641 4.524776       7.959838 
1 1 1 21 1  46 o 18.532  4.8747 2.1922   2.0761  23.137  7.2234 13.927  6.5479 9.210460       9.749456 
1 1 1 21 1  48 o 17.926  5.0585 3.3056   1.9469  19.041  7.3371 16.811  6.9658 2.230110       10.11708 
1 1 1 21 2  1  f 225.770 1.9701 509.816  6.2852  226.587 2.8461 224.951 2.7249 1.636154       3.940203 
1 1 1 21 2  3  o 426.509 2.9708 1820.71  17.894  426.819 4.0690 426.198 4.3296 0.6206055      5.941592 
1 1 1 21 2  5  o 266.643 2.0833 711.297  7.8489  266.670 2.8732 266.616 3.0175 0.5349731E-01  4.166629 
1 1 1 21 2  7  o 323.239 2.2514 1045.84  10.266  321.484 3.3168 324.993 3.0452 -3.509247      4.502744 
1 1 1 21 2  9  o 318.260 2.2656 1013.66  10.162  317.719 3.3561 318.800 3.0443 -1.081055      4.531151 
1 1 1 21 2  11 o 203.477 1.6863 414.145  4.8518  204.465 2.4046 202.490 2.3649 1.974884       3.372668 
1 1 1 21 2  13 o 232.655 2.0182 541.575  6.6398  231.133 2.8454 234.176 2.8629 -3.043503      4.036397 
1 1 1 21 2  15 o 147.191 1.7250 217.115  3.4606  146.421 2.7909 147.962 2.0282 -1.541275      3.450017 
1 1 1 21 2  17 o 94.149  1.6211 88.697   2.1004  94.189  1.9659 94.108  2.5782 0.8136749E-01  3.242217 
1 1 1 21 2  19 o 104.973 1.3864 109.681  1.9933  103.185 1.6707 106.761 2.2128 -3.576035      2.772737 
1 1 1 21 2  21 o 124.443 1.5596 153.728  2.7084  119.295 2.0339 129.590 2.3650 -10.29549      3.119283 
1 1 1 21 2  23 o 69.563  1.7553 48.200   1.7027  67.872  2.2578 71.255  2.6883 -3.382492      3.510610 
1 1 1 21 2  25 o 116.064 1.5693 134.469  2.4966  114.980 1.8881 117.147 2.5072 -2.167000      3.138617 
1 1 1 21 2  27 o 119.733 1.6710 143.205  2.7572  118.739 2.0434 120.728 2.6444 -1.989510      3.341904 
1 1 1 21 2  29 o 46.249  2.5326 21.213   1.6380  42.816  3.4300 49.682  3.7270 -6.866470      5.065114 
1 1 1 21 2  31 o 44.694  2.2225 20.049   1.4047  44.408  3.1632 44.980  3.1230 -0.5714493     4.445077 
1 1 1 21 2  33 o 20.128  4.8371 3.7298   1.6914  17.956  6.8663 22.299  6.8151 -4.342840      9.674255 
1 1 1 21 2  35 o 87.801  1.9581 77.135   2.3994  86.132  2.5205 89.471  2.9973 -3.339081      3.916205 
1 1 1 21 2  37 o 62.756  2.4746 39.937   2.1409  63.895  2.9979 61.616  3.9378 2.278347       4.949099 
1 1 1 21 2  39 o 74.781  2.5232 56.181   2.5633  72.591  2.9906 76.972  4.0647 -4.380623      5.046341 
1 1 1 21 2  41 o 40.727  4.2309 17.945   2.3196  33.841  6.6520 47.613  5.2300 -13.77154      8.461847 
1 1 1 21 2  43 o 58.454  2.7657 35.357   2.2303  58.601  3.3777 58.306  4.3804 0.2957802      5.531411 
1 1 1 21 2  45 o 17.585  5.1701 1.8984   2.1385  18.858  7.5640 16.311  7.0501 2.547421       10.34010 
1 1 1 21 2  47 o 16.172  5.0944 0.1447   2.3837  16.688  7.2374 15.656  7.1717 1.031826       10.18887 
1 1 1 21 2  49 o 15.265  4.7575 0.9689   2.0108  14.716  6.6202 15.814  6.8342 -1.098046      9.514904 
1 1 1 21 3  0  o 625.248 5.5461 3913.14  69.342  625.248 5.5461 ?       ?      0.000000       0.000000 
1 1 1 21 3  2  o 462.557 3.1088 2141.21  20.330  459.680 4.3476 465.435 4.4448 -5.755096      6.217556 
1 1 1 21 3  4  o 234.050 1.9198 548.072  6.3530  232.180 2.7500 235.919 2.6794 -3.738312      3.839512 
1 1 1 21 3  6  o 202.525 1.7745 410.151  5.0598  203.183 2.6397 201.867 2.3723 1.316605       3.549031 
1 1 1 21 3  8  o 277.025 2.1519 767.464  8.4162  278.932 3.1361 275.117 2.9475 3.815094       4.303779 
1 1 1 21 3  10 o 227.660 1.8076 518.824  5.7992  226.184 2.6818 229.137 2.4243 -2.953171      3.615155 
1 1 1 21 3  12 o 210.850 1.8539 444.298  5.5007  208.813 2.4768 212.888 2.7593 -4.074600      3.707877 
1 1 1 21 3  14 o 143.368 1.4819 205.791  2.9996  145.484 2.0189 141.251 2.1698 4.233154       2.963730 
1 1 1 21 3  16 o 82.352  1.7544 67.491   1.9256  81.238  1.9649 83.466  2.9070 -2.228081      3.508751 
1 1 1 21 3  18 o 187.048 1.7090 348.318  4.4197  183.291 2.1250 190.805 2.6771 -7.514465      3.417942 
1 1 1 21 3  20 o 79.641  1.6579 63.397   1.8164  79.327  2.0123 79.955  2.6353 -0.6278839     3.315734 
1 1 1 21 3  22 o 71.794  1.7935 51.551   1.8147  71.263  2.4191 72.324  2.6485 -1.060646      3.587046 
1 1 1 21 3  24 o 125.684 1.4999 158.135  2.6186  125.848 1.8772 125.521 2.3399 0.3266449      2.999897 
1 1 1 21 3  26 o 149.865 1.7185 224.904  3.6350  150.085 2.3399 149.645 2.5174 0.4394531      3.436906 
1 1 1 21 3  28 o 11.864  3.8925 -2.7182  1.5585  11.725  5.3991 12.004  5.6085 -0.2791357     7.784984 
1 1 1 21 3  30 o 131.530 1.7163 173.275  3.1912  128.817 2.4288 134.243 2.4257 -5.426529      3.432653 
1 1 1 21 3  32 o 42.498  2.8741 18.105   1.7027  41.554  3.6877 43.441  4.4094 -1.887123      5.748259 
1 1 1 21 3  34 o 81.587  1.8818 66.788   2.1709  82.369  2.6356 80.804  2.6866 1.565216       3.763554 
1 1 1 21 3  36 o 52.543  2.3686 27.860   1.7507  52.155  3.5503 52.932  3.1363 -0.7765617     4.737211 
1 1 1 21 3  38 o 35.263  5.0815 13.781   2.2067  32.092  9.1195 38.434  4.4855 -6.342270      10.16296 
1 1 1 21 3  40 o 28.458  4.6168 8.8517   1.7923  28.340  5.8323 28.576  7.1585 -0.2359848     9.233582 
1 1 1 21 3  42 o 59.095  2.6805 36.710   2.1409  63.403  3.0212 54.786  4.4287 8.616936       5.361053 
1 1 1 21 3  44 o 48.008  3.2926 24.350   2.1246  47.634  3.7532 48.382  5.4108 -0.7481689     6.585112 
1 1 1 21 3  46 o 29.078  4.6130 9.9805   1.8164  29.150  5.6786 29.007  7.2714 0.1434612      9.226042 
1 1 1 21 3  48 o 19.922  5.4366 4.8301   2.1540  19.509  7.3872 20.335  7.9783 -0.8252449     10.87310 
1 1 1 21 4  1  o 529.155 3.5495 2803.55  26.562  528.792 5.0352 529.519 5.0042 -0.7271118     7.098920 
1 1 1 21 4  3  o 576.858 3.7703 3330.91  30.688  580.160 5.5248 573.556 5.1320 6.604004       7.540658 
1 1 1 21 4  5  o 458.167 2.9810 2101.15  19.314  457.670 4.2412 458.664 4.1902 -0.9936829     5.961993 
1 1 1 21 4  7  o 152.114 1.5285 231.429  3.2880  151.128 2.1547 153.100 2.1687 -1.972076      3.057097 
1 1 1 21 4  9  o 40.537  2.2854 16.439   1.3082  42.269  3.1722 38.805  3.2908 3.463940       4.570795 
1 1 1 21 4  11 o 187.895 1.7817 352.290  4.4896  186.619 2.0186 189.170 2.9365 -2.551041      3.563423 
1 1 1 21 4  13 o 258.742 2.1581 666.980  7.6026  255.159 2.5524 262.326 3.4806 -7.166824      4.316216 
1 1 1 21 4  15 o 140.386 1.5379 197.170  2.9922  140.393 1.9102 140.379 2.4107 0.1440430E-01  3.075716 
1 1 1 21 4  17 o 36.067  2.4410 13.019   1.2443  35.714  3.3969 36.420  3.5063 -0.7058640     4.881917 
1 1 1 21 4  19 f 151.662 1.4658 230.039  3.0961  151.416 1.8554 151.907 2.2698 -0.4913177     2.931625 
1 1 1 21 4  21 o 81.864  1.7944 67.092   2.0746  84.983  2.4794 78.745  2.5947 6.237549       3.588868 
1 1 1 21 4  23 o 34.689  3.3615 12.942   1.3992  38.627  2.9754 30.751  6.0287 7.876158       6.722974 
1 1 1 21 4  25 o 53.747  1.8899 28.801   1.4303  57.246  2.6769 50.248  2.6685 6.998684       3.779759 
1 1 1 21 4  27 o 33.150  3.9117 10.678   1.7251  27.610  5.2764 38.689  5.7762 -11.07950      7.823331 
1 1 1 21 4  29 o 96.404  1.9434 93.054   2.6463  97.887  2.8048 94.921  2.6907 2.965553       3.886763 
1 1 1 21 4  31 o 53.804  2.2204 28.824   1.6770  50.322  3.0452 57.286  3.2323 -6.963573      4.440836 
1 1 1 21 4  33 o 70.869  1.7970 50.453   1.7673  71.387  2.2361 70.350  2.8136 1.036392       3.593914 
1 1 1 21 4  35 o 57.326  3.0657 32.542   2.3086  59.950  5.1123 54.703  3.3849 5.246128       6.131366 
1 1 1 21 4  37 o 38.175  3.9109 14.953   2.1051  35.947  5.6840 40.402  5.3732 -4.455368      7.821713 
1 1 1 21 4  39 o 63.461  2.3826 40.767   2.1347  61.791  3.3067 65.132  3.4311 -3.341557      4.765163 
1 1 1 21 4  41 o 20.625  4.6686 3.9973   1.6625  14.667  6.0897 26.583  7.0780 -11.91582      9.337144 
1 1 1 21 4  43 o 29.477  4.6361 9.8415   1.8815  31.762  5.2267 27.192  7.6586 4.569824       9.272163 
1 1 1 21 4  45 o 19.675  5.2272 3.9752   1.9608  17.860  6.9541 21.489  7.8059 -3.629190      10.45430 
1 1 1 21 4  47 o 21.282  5.1769 5.4954   1.7793  20.325  6.2807 22.238  8.2314 -1.912693      10.35387 
1 1 1 21 4  49 o 21.837  5.3890 6.5947   2.1004  23.566  7.1966 20.107  8.0233 3.459536       10.77793 
1 1 1 21 5  0  o 144.772 2.5156 209.813  7.2790  144.772 2.5156 ?       ?      0.000000       0.000000 
1 1 1 21 5  2  o 344.071 2.7058 1184.48  13.026  343.638 3.4932 344.503 4.1331 -0.8652039     5.411541 
1 1 1 21 5  4  o 249.186 2.1408 620.194  7.4905  246.210 2.8267 252.162 3.2158 -5.951797      4.281560 
1 1 1 21 5  6  o 291.329 2.3604 848.753  9.6544  290.104 3.1033 292.554 3.5575 -2.450256      4.720862 
1 1 1 21 5  8  o 162.523 1.6091 262.505  3.5712  159.114 1.9262 165.933 2.5781 -6.818924      3.218224 
1 1 1 21 5  10 o 50.002  1.5355 24.586   1.0517  47.132  1.8966 52.873  2.4153 -5.740444      3.070921 
1 1 1 21 5  12 o 303.351 2.3771 920.497  10.049  302.483 3.0186 304.218 3.6730 -1.735291      4.754192 
1 1 1 21 5  14 o 187.329 1.7209 350.862  4.4758  186.744 2.1541 187.915 2.6843 -1.170654      3.441720 
1 1 1 21 5  16 o 133.511 1.4434 178.487  2.6952  134.209 1.8554 132.813 2.2115 1.396347       2.886735 
1 1 1 21 5  18 o 156.229 1.7502 244.273  3.8564  155.877 2.5806 156.580 2.3651 -0.7028351     3.500479 
1 1 1 21 5  20 o 111.493 1.4054 124.048  2.1654  110.355 1.7358 112.631 2.2109 -2.276695      2.810877 
1 1 1 21 5  22 o 83.129  1.5284 69.102   1.7673  82.866  1.9263 83.392  2.3736 -0.5260468     3.056891 
1 1 1 21 5  24 o 36.387  2.8063 13.267   1.4189  36.223  3.5254 36.550  4.3674 -0.3263283     5.612681 
1 1 1 21 5  26 o 60.749  1.6346 36.885   1.4018  59.228  2.2639 62.270  2.3584 -3.041782      3.269129 
1 1 1 21 5  28 o 83.972  1.7282 69.621   1.9714  80.421  2.0643 87.522  2.7722 -7.101204      3.456359 
1 1 1 21 5  30 o 88.795  1.7158 78.502   2.0813  90.634  2.7475 86.955  2.0560 3.678749       3.431603 
1 1 1 21 5  32 o 19.729  5.4133 2.5040   2.1654  19.302  7.9666 20.155  7.3313 -0.8536606     10.82662 
1 1 1 21 5  34 o 115.066 1.8073 132.937  2.9371  111.681 2.6299 118.451 2.4796 -6.769814      3.614543 
1 1 1 21 5  36 o 102.709 1.9804 106.183  2.8733  99.880  2.8767 105.537 2.7225 -5.657150      3.960753 
1 1 1 21 5  38 o 34.573  3.9875 12.554   1.8787  30.046  6.1622 39.100  5.0623 -9.053631      7.974958 
1 1 1 21 5  40 o 22.598  5.2945 4.4257   2.2183  15.846  6.8970 29.350  8.0348 -13.50427      10.58903 
1 1 1 21 5  42 o 15.722  5.0011 -0.7753  2.0523  12.263  5.6394 19.181  8.2609 -6.917578      10.00223 
1 1 1 21 5  44 f 14.748  4.6896 -0.8839  2.0253  13.614  6.1930 15.883  7.0439 -2.268769      9.379224 
1 1 1 21 5  46 o 22.155  5.0765 5.8052   1.9427  25.865  6.9918 18.445  7.3619 7.420143       10.15301 
1 1 1 21 5  48 f 24.051  5.8789 7.6985   2.1560  21.453  6.7086 26.648  9.6562 -5.195393      11.75782 
1 1 1 21 6  1  o 279.009 2.0550 778.635  8.1070  275.864 2.8932 282.153 2.9192 -6.289307      4.110052 
1 1 1 21 6  3  o 244.329 2.0204 596.554  6.9011  245.887 3.0901 242.771 2.6038 3.115952       4.040855 
1 1 1 21 6  5  o 207.823 1.8304 432.272  5.3361  208.489 2.3888 207.157 2.7740 1.332520       3.660783 
1 1 1 21 6  7  o 80.042  1.7432 62.862   1.9279  86.339  2.6623 73.745  2.2512 12.59392       3.486491 
1 1 1 21 6  9  o 69.647  1.4444 48.341   1.3583  68.917  1.6677 70.377  2.3589 -1.459618      2.888862 
1 1 1 21 6  11 o 171.263 1.7137 293.457  4.1503  172.381 2.4076 170.145 2.4393 2.236923       3.427337 
1 1 1 21 6  13 o 198.367 1.9723 393.681  5.5007  198.038 2.6116 198.697 2.9564 -0.6587677     3.944679 
1 1 1 21 6  15 o 119.456 1.5329 142.699  2.5761  118.979 2.0393 119.934 2.2892 -0.9549789     3.065828 
1 1 1 21 6  17 o 33.779  2.6811 11.445   1.2738  34.254  3.5416 33.304  4.0261 0.9499817      5.362119 
1 1 1 21 6  19 o 125.751 1.4560 158.311  2.5824  126.718 1.9651 124.784 2.1491 1.934036       2.912087 
1 1 1 21 6  21 o 138.644 1.6638 192.116  3.2363  137.432 2.1836 139.856 2.5110 -2.424484      3.327646 
1 1 1 21 6  23 o 86.880  1.6627 75.487   2.0412  84.825  2.3335 88.935  2.3692 -4.110184      3.325393 
1 1 1 21 6  25 o 127.584 1.5576 162.964  2.8080  127.887 2.1469 127.280 2.2574 0.6066055      3.115299 
1 1 1 21 6  27 o 55.369  2.0400 30.710   1.5937  55.422  2.9954 55.315  2.7703 0.1073532      4.080090 
1 1 1 21 6  29 o 105.395 2.3729 111.483  3.0757  105.289 4.1844 105.500 2.2393 -0.2113953     4.745889 
1 1 1 21 6  31 o 55.900  2.4376 31.508   1.9070  57.174  3.1269 54.626  3.7404 2.548496       4.875266 
1 1 1 21 6  33 o 18.002  4.7771 2.4705   1.6380  17.967  6.4307 18.037  7.0661 -0.7020950E-01 9.554227 
1 1 1 21 6  35 o 58.711  2.4599 34.675   2.0352  57.057  3.3572 60.365  3.5963 -3.307495      4.919765 
1 1 1 21 6  37 o 83.100  1.9565 69.310   2.2827  85.125  2.9253 81.075  2.5989 4.049515       3.913031 
1 1 1 21 6  39 o 28.328  5.0847 8.8333   2.0253  28.946  7.6169 27.711  6.7378 1.234571       10.16931 
1 1 1 21 6  41 o 21.723  5.3002 5.0380   1.9773  21.368  7.3736 22.078  7.6158 -0.7106171     10.60048 
1 1 1 21 6  43 o 28.693  6.3134 8.9703   2.4632  21.531  7.1288 35.854  10.422 -14.32373      12.62677 
1 1 1 21 6  45 f 20.260  5.5102 4.3053   2.2183  20.403  7.5534 20.117  8.0246 0.2861519      11.02034 
1 1 1 21 6  47 o 31.984  4.8101 12.584   2.0374  31.672  5.6460 32.296  7.7893 -0.6236000     9.620289 
1 1 1 21 7  0  o 295.817 2.8281 875.517  16.729  295.817 2.8281 ?       ?      0.000000       0.000000 
1 1 1 21 7  2  o 293.258 2.5100 860.718  10.406  292.177 3.6058 294.338 3.4926 -2.160767      5.019937 
1 1 1 21 7  4  o 87.113  1.3612 76.161   1.6380  88.325  1.6627 85.901  2.1556 2.423195       2.722317 
1 1 1 21 7  6  o 125.714 1.5181 158.463  2.5633  126.533 1.7157 124.895 2.5050 1.638435       3.036257 
1 1 1 21 7  8  o 71.683  2.5861 50.101   1.5954  70.021  1.4590 73.345  4.9621 -3.324127      5.172156 
1 1 1 21 7  10 f 244.839 2.1974 601.383  7.2298  246.514 2.4865 243.164 3.6236 3.349899       4.394720 
1 1 1 21 7  12 o 324.796 2.4338 1058.57  10.834  327.594 2.9041 321.998 3.9064 5.595215       4.867634 
1 1 1 21 7  14 o 107.892 1.5124 116.627  2.1907  108.315 1.7095 107.469 2.4953 0.8463974      3.024761 
1 1 1 21 7  16 o 181.550 1.6602 329.817  4.1174  181.618 1.9688 181.482 2.6739 0.1354675      3.320499 
1 1 1 21 7  18 o 301.623 2.3316 909.854  9.7778  300.096 2.9362 303.150 3.6227 -3.053833      4.663178 
1 1 1 21 7  20 o 103.094 1.4986 105.868  2.1240  101.430 1.8256 104.757 2.3771 -3.326523      2.997199 
1 1 1 21 7  22 o 171.160 1.7416 290.096  4.0299  165.950 2.0392 176.369 2.8238 -10.41946      3.483148 
1 1 1 21 7  24 o 78.582  2.7014 61.916   2.9996  76.109  3.8591 81.056  3.7811 -4.946373      5.402730 
1 1 1 21 7  26 o 80.027  2.1681 64.329   2.3843  79.250  3.4645 80.805  2.6076 -1.554779      4.336131 
1 1 1 21 7  28 o 33.339  4.9763 11.286   2.0288  32.845  4.6655 33.833  8.7914 -0.9878845     9.952656 
1 1 1 21 7  30 o 73.881  1.8027 54.708   1.8830  74.353  2.5762 73.409  2.5224 0.9445343      3.605485 
1 1 1 21 7  32 o 117.697 1.7646 138.894  2.9357  118.557 2.5312 116.836 2.4592 1.720993       3.529170 
1 1 1 21 7  34 o 80.260  1.8581 64.615   2.0993  79.603  2.4865 80.916  2.7618 -1.313316      3.716256 
1 1 1 21 7  36 o 111.080 1.8782 124.375  2.9246  112.846 2.4330 109.315 2.8621 3.531403       3.756474 
1 1 1 21 7  38 o 77.735  2.0698 61.216   2.1691  78.522  2.3581 76.947  3.4022 1.574745       4.139507 
1 1 1 21 7  40 o 17.621  4.6466 1.9619   1.7507  21.375  6.8624 13.867  6.2667 7.508570       9.293254 
1 1 1 21 7  42 o 23.915  5.1732 6.5170   1.8815  23.215  6.7493 24.614  7.8420 -1.399292      10.34648 
1 1 1 21 7  44 o 40.176  4.7630 17.817   2.2275  39.403  4.2132 40.949  8.5436 -1.546886      9.525965 
1 1 1 21 7  46 o 15.856  4.7823 0.3872   1.9608  12.261  5.7499 19.452  7.6433 -7.190972      9.564606 
1 1 1 21 7  48 o 23.957  5.8631 8.2864   2.4121  25.051  7.2392 22.862  9.2248 2.189154       11.72617 
1 1 1 21 8  1  o 559.145 7.4689 3145.72  59.011  574.880 10.574 543.410 10.551 31.47058       14.93770 
1 1 1 21 8  3  o 216.661 3.2644 470.067  8.1194  216.758 2.7395 216.564 5.9262 0.1935425      6.528731 
1 1 1 21 8  5  o 117.473 2.3843 136.795  3.6897  114.939 2.6109 120.007 3.9904 -5.068665      4.768685 
1 1 1 21 8  7  o 30.522  2.4458 11.330   0.7356  38.319  1.4997 22.725  4.6560 15.59389       4.891528 
1 1 1 21 8  9  o 200.863 1.8625 400.130  5.0364  196.053 2.1495 205.674 3.0424 -9.621246      3.725087 
1 1 1 21 8  11 o 247.457 1.9567 614.547  6.7460  251.200 2.4656 243.714 3.0391 7.486298       3.913434 
1 1 1 21 8  13 o 230.411 1.9305 534.182  6.1663  236.136 2.3795 224.685 3.0407 11.45068       3.861065 
1 1 1 21 8  15 o 180.948 1.7198 327.694  4.3213  181.153 2.1500 180.742 2.6848 0.4116058      3.439633 
1 1 1 21 8  17 o 189.454 1.7045 359.511  4.4758  190.292 2.1139 188.615 2.6743 1.677872       3.408900 
1 1 1 21 8  19 o 165.497 1.7896 273.552  4.1527  163.271 2.3464 167.723 2.7029 -4.452133      3.579289 
1 1 1 21 8  21 o 80.063  1.8067 64.208   2.0412  79.303  2.6570 80.823  2.4490 -1.520157      3.613470 
1 1 1 21 8  23 o 196.090 1.8062 385.189  4.9279  196.540 2.2741 195.641 2.8067 0.8986206      3.612396 
1 1 1 21 8  25 o 158.222 1.6122 250.876  3.5198  158.908 1.9689 157.535 2.5534 1.373245       3.224356 
1 1 1 21 8  27 o 80.336  2.1234 65.000   2.3837  82.732  2.7012 77.939  3.2769 4.793365       4.246750 
1 1 1 21 8  29 o 130.324 1.6122 169.009  2.9275  125.992 2.0778 134.655 2.4657 -8.663063      3.224448 
1 1 1 21 8  31 o 72.539  2.2641 52.904   2.2543  72.762  2.7203 72.317  3.6200 0.4452896      4.528202 
1 1 1 21 8  33 o 20.876  4.8613 4.1274   1.6770  17.936  6.5541 23.816  7.1815 -5.879269      9.722628 
1 1 1 21 8  35 o 72.413  1.9682 52.680   1.9986  71.917  2.5747 72.909  2.9776 -0.9924316     3.936377 
1 1 1 21 8  37 o 26.284  4.6975 7.4112   1.7787  21.795  6.8466 30.772  6.4335 -8.976973      9.394956 
1 1 1 21 8  39 o 66.257  2.3524 44.645   2.2024  66.995  3.2404 65.518  3.4109 1.477318       4.704739 
1 1 1 21 8  41 o 24.583  4.9683 6.9311   1.8318  26.261  6.3763 22.905  7.6210 3.355896       9.936683 
1 1 1 21 8  43 o 37.231  4.1293 15.699   2.0412  42.744  4.6307 31.717  6.8383 11.02708       8.258686 
1 1 1 21 8  45 o 29.572  5.6111 10.377   2.0970  27.470  5.7627 31.675  9.6295 -4.205420      11.22213 
1 1 1 21 8  47 o 18.529  5.0112 2.9229   2.1213  21.507  6.8582 15.552  7.3086 5.955523       10.02250 
1 1 1 21 9  0  o 106.257 4.7070 113.654  9.9607  106.257 4.7070 ?       ?      0.000000       0.000000 
1 1 1 21 9  2  o 118.641 3.1615 140.705  5.2719  117.039 4.2007 120.244 4.7260 -3.205048      6.323044 
1 1 1 21 9  4  o 318.432 4.3300 1008.88  15.743  315.394 3.6238 321.470 7.8654 -6.075928      8.660014 
1 1 1 21 9  6  o 154.440 2.5118 236.446  4.6253  152.254 2.2646 156.626 4.4843 -4.372101      5.023645 
1 1 1 21 9  8  o 267.309 2.7787 702.417  8.1985  261.328 2.2234 273.290 5.0933 -11.96158      5.557426 
1 1 1 21 9  10 o 264.131 2.0850 700.210  7.5497  266.842 2.4885 261.419 3.3462 5.422150       4.170083 
1 1 1 21 9  12 o 235.019 1.9414 549.094  6.2643  229.559 2.3642 240.479 3.0800 -10.92027      3.882739 
1 1 1 21 9  14 f 116.049 1.8688 134.593  3.0529  117.392 2.7739 114.707 2.5049 2.685745       3.737527 
1 1 1 21 9  16 o 150.420 1.7709 226.414  3.7672  150.080 2.5101 150.759 2.4988 -0.6791840     3.541848 
1 1 1 21 9  18 o 183.432 1.8849 337.034  4.8844  187.418 2.5892 179.445 2.7398 7.973434       3.769700 
1 1 1 21 9  20 o 190.895 1.8106 361.955  4.7107  186.309 2.1591 195.480 2.9070 -9.170425      3.621130 
1 1 1 21 9  22 o 218.993 1.9102 479.567  5.7743  217.779 2.3455 220.206 3.0156 -2.426559      3.820345 
1 1 1 21 9  24 o 101.863 1.6151 104.142  2.2543  102.787 1.9257 100.939 2.5935 1.848610       3.230266 
1 1 1 21 9  26 o 95.395  1.5764 90.911   2.0587  94.709  1.8877 96.081  2.5253 -1.371895      3.152857 
1 1 1 21 9  28 o 70.131  2.4082 50.073   2.1851  72.282  2.4734 67.979  4.1328 4.303276       4.816364 
1 1 1 21 9  30 f 78.963  2.0261 62.420   2.1691  78.443  2.3605 79.483  3.2936 -1.039825      4.052144 
1 1 1 21 9  32 o 42.774  2.7960 18.326   1.6770  41.236  3.7162 44.313  4.1786 -3.076721      5.592056 
1 1 1 21 9  34 o 30.795  4.4805 10.110   1.8701  31.326  5.7152 30.263  6.9019 1.063381       8.961031 
1 1 1 21 9  36 o 36.559  3.3510 13.697   1.7216  37.810  4.3906 35.308  5.0635 2.502258       6.701955 
1 1 1 21 9  38 o 71.930  2.2612 52.368   2.2915  71.317  3.0441 72.544  3.3446 -1.227097      4.522479 
1 1 1 21 9  40 o 20.441  5.3018 4.0722   1.9500  19.229  6.8417 21.654  8.1010 -2.425007      10.60350 
1 1 1 21 9  42 f 16.777  5.0806 0.7662   2.1709  17.859  7.4089 15.695  6.9540 2.164100       10.16124 
1 1 1 21 9  44 f 18.044  5.6597 1.2330   2.3779  14.897  6.4073 21.190  9.3315 -6.292309      11.31943 
1 1 1 21 9  46 o 20.592  5.3269 4.7619   2.1844  22.988  6.7706 18.196  8.2257 4.791304       10.65381 
1 1 1 21 10 1  o 142.954 4.5646 205.036  9.2263  144.229 6.3749 141.679 6.5347 2.549057       9.129181 
1 1 1 21 10 3  f 143.361 2.8972 205.698  5.8715  140.871 4.0793 145.851 4.1151 -4.980148      5.794383 
1 1 1 21 10 5  o 206.854 2.3361 424.892  6.2433  203.579 2.4464 210.128 3.9806 -6.548615      4.672281 
1 1 1 21 10 7  o 120.845 2.1775 146.375  3.1914  121.163 2.0025 120.526 3.8673 0.6371231      4.354983 
1 1 1 21 10 9  o 219.234 2.5579 482.110  7.3412  220.180 2.7259 218.288 4.3291 1.892044       5.115816 
1 1 1 21 10 11 o 237.679 2.6522 570.438  8.3663  242.658 2.8944 232.700 4.4451 9.958160       5.304412 
1 1 1 21 10 13 o 232.977 2.4276 544.266  7.0993  233.692 2.3771 232.261 4.2336 1.430832       4.855263 
1 1 1 21 10 15 o 185.349 2.3630 345.290  4.7642  186.305 1.8164 184.393 4.3630 1.911530       4.726041 
1 1 1 21 10 17 o 121.501 2.0409 146.162  2.7673  119.839 1.6517 123.163 3.7326 -3.324532      4.081746 
1 1 1 21 10 19 o 108.253 1.8996 115.394  2.6172  104.951 1.9468 111.556 3.2625 -6.605148      3.799197 
1 1 1 21 10 21 o 64.567  1.8925 41.810   1.7216  65.658  2.5284 63.476  2.8165 2.182190       3.784940 
1 1 1 21 10 23 o 84.992  1.6160 73.062   1.9070  89.656  1.9941 80.328  2.5436 9.328003       3.232053 
1 1 1 21 10 25 o 117.260 1.5679 137.882  2.5666  118.360 1.9960 116.160 2.4186 2.199959       3.135838 
1 1 1 21 10 27 o 76.434  1.8629 58.554   2.0067  76.483  2.5045 76.384  2.7585 0.9968567E-01  3.725841 
1 1 1 21 10 29 o 110.754 1.7248 123.292  2.6574  112.277 2.1610 109.230 2.6889 3.047035       3.449674 
1 1 1 21 10 31 o 129.872 1.7213 169.164  3.1603  128.959 2.4756 130.786 2.3922 -1.826279      3.442573 
1 1 1 21 10 33 o 160.032 2.0888 258.055  4.6441  161.600 2.6078 158.465 3.2637 3.134781       4.177606 
1 1 1 21 10 35 o 23.637  5.5731 5.3997   2.2520  25.766  7.0039 21.509  8.6709 4.256620       11.14625 
1 1 1 21 10 37 o 48.440  2.8485 23.805   1.9218  47.297  3.6450 49.583  4.3783 -2.286388      5.696963 
1 1 1 21 10 39 o 43.485  3.3256 19.812   1.9702  44.407  3.8822 42.562  5.4006 1.844418       6.651132 
1 1 1 21 10 41 o 17.207  5.1838 1.1676   2.0523  15.831  6.4299 18.583  8.1329 -2.752464      10.36765 
1 1 1 21 10 43 o 19.881  5.0145 2.9947   2.1655  24.360  6.9788 15.403  7.2027 8.957873       10.02908 
1 1 1 21 10 45 o 34.305  5.0379 14.430   2.0432  37.475  4.0892 31.136  9.2086 6.339098       10.07574 
1 1 1 21 10 47 o 25.307  6.0103 9.2701   2.5441  27.867  6.3291 22.748  10.220 5.119894       12.02070 
1 1 1 21 11 0  o 394.862 6.2128 1562.80  49.037  394.862 6.2128 ?       ?      0.000000       0.000000 
1 1 1 21 11 2  o 168.901 3.0741 285.731  7.3428  168.240 4.3645 169.563 4.3304 -1.323105      6.148281 
1 1 1 21 11 4  o 156.664 2.1503 245.421  4.1525  156.475 2.0403 156.854 3.7857 -0.3793945     4.300540 
1 1 1 21 11 6  o 76.896  2.2850 59.496   1.8346  77.380  1.6503 76.413  4.2615 0.9671097      4.569935 
1 1 1 21 11 8  o 247.640 2.6194 612.924  7.8452  246.993 2.4042 248.288 4.6546 -1.295181      5.238865 
1 1 1 21 11 10 f 327.870 2.8381 1072.17  11.388  325.738 2.6658 330.002 5.0113 -4.264221      5.676214 
1 1 1 21 11 12 o 129.482 1.9600 165.280  2.9622  126.779 1.7124 132.186 3.5262 -5.407295      3.919951 
1 1 1 21 11 14 o 146.139 2.1507 217.950  3.4007  149.641 1.6214 142.638 3.9840 7.002502       4.301309 
1 1 1 21 11 16 o 156.018 1.8762 244.908  3.5320  157.327 1.7045 154.709 3.3430 2.618591       3.752469 
1 1 1 21 11 18 o 105.994 1.8501 110.711  2.2192  103.861 1.5369 108.126 3.3660 -4.265289      3.700238 
1 1 1 21 11 20 o 74.504  2.1315 55.153   1.8869  73.645  1.9074 75.364  3.8125 -1.719101      4.263065 
1 1 1 21 11 22 o 129.056 1.8451 165.320  2.9747  127.104 1.8084 131.007 3.2167 -3.902977      3.690221 
1 1 1 21 11 24 o 37.288  4.2123 13.707   1.8729  35.317  3.9774 39.258  7.4266 -3.941101      8.424610 
1 1 1 21 11 26 f 180.369 2.0043 324.448  4.5676  178.783 2.0000 181.955 3.4740 -3.172058      4.008597 
1 1 1 21 11 28 o 28.537  4.8598 8.1582   1.7166  26.428  5.0136 30.646  8.3267 -4.217703      9.719606 
1 1 1 21 11 30 o 49.632  3.1750 23.906   1.9005  46.767  3.0036 52.498  5.5947 -5.730759      6.350032 
1 1 1 21 11 32 o 75.379  2.4758 57.241   2.5789  75.610  3.0401 75.147  3.9085 0.4632416      4.951622 
1 1 1 21 11 34 o 23.823  5.2854 5.6188   1.7878  21.934  5.9590 25.712  8.7310 -3.777987      10.57073 
1 1 1 21 11 36 o 46.417  3.0863 22.805   1.8623  50.760  3.1447 42.074  5.3115 8.685863       6.172609 
1 1 1 21 11 38 o 26.280  5.5284 7.2250   2.1367  20.288  6.9958 32.273  8.5623 -11.98482      11.05684 
1 1 1 21 11 40 o 14.395  4.5414 -0.5108  1.7438  12.688  5.6111 16.103  7.1424 -3.415274      9.082886 
1 1 1 21 11 42 f 24.261  5.4546 6.9779   2.1691  26.556  6.9081 21.966  8.4433 4.590090       10.90925 
1 1 1 21 11 44 o 17.841  5.2209 2.3558   2.0813  15.392  6.5691 20.290  8.1165 -4.897885      10.44176 
1 1 1 21 11 46 f 14.888  4.8833 -1.3826  2.3396  14.346  6.3392 15.430  7.4298 -1.084298      9.766621 
1 1 1 21 12 1  o 235.080 3.3515 553.748  11.141  232.830 4.7443 237.330 4.7350 -4.500275      6.702908 
1 1 1 21 12 3  o 173.592 2.8094 301.792  6.8953  170.689 4.0026 176.495 3.9433 -5.806641      5.618740 
1 1 1 21 12 5  o 172.596 2.2364 295.989  4.8031  170.443 2.1728 174.749 3.9096 -4.305817      4.472799 
1 1 1 21 12 7  o 215.189 2.6851 456.825  7.1739  209.792 2.6174 220.585 4.6892 -10.79324      5.370273 
1 1 1 21 12 9  o 105.086 2.0542 110.369  2.0907  104.969 1.3382 105.202 3.8844 -0.2325668     4.108417 
1 1 1 21 12 11 o 135.088 2.0253 179.085  2.9292  132.011 1.5478 138.165 3.7433 -6.153824      4.050636 
1 1 1 21 12 13 o 107.002 2.0058 117.188  2.2645  109.840 1.4533 104.163 3.7392 5.676643       4.011683 
1 1 1 21 12 15 o 134.819 1.7983 177.973  2.8640  130.595 1.6134 139.044 3.2145 -8.449081      3.596669 
1 1 1 21 12 17 o 207.950 2.1020 426.839  5.3757  203.161 2.0114 212.738 3.6917 -9.577408      4.204078 
1 1 1 21 12 19 o 149.615 1.8680 221.230  3.3910  146.603 1.7421 152.627 3.3049 -6.024323      3.735970 
1 1 1 21 12 21 o 161.800 2.0062 260.058  3.9578  159.712 1.8790 163.888 3.5453 -4.175949      4.012483 
1 1 1 21 12 23 f 131.856 1.7731 172.566  2.8094  130.141 1.6191 133.572 3.1550 -3.430527      3.546140 
1 1 1 21 12 25 o 138.848 2.0342 191.880  3.4469  137.358 1.9059 140.338 3.5943 -2.980225      4.068339 
1 1 1 21 12 27 o 139.376 2.1438 194.014  3.6722  138.434 2.0294 140.317 3.7769 -1.882950      4.287574 
1 1 1 21 12 29 o 32.428  4.5215 10.344   1.7878  29.756  4.5061 35.099  7.8402 -5.342619      9.042931 
1 1 1 21 12 31 o 85.876  2.2396 74.510   2.5386  87.039  2.4208 84.714  3.7686 2.325409       4.479156 
1 1 1 21 12 33 o 55.148  2.8150 30.974   2.0585  56.194  3.0679 54.103  4.7207 2.091057       5.630001 
1 1 1 21 12 35 f 84.577  2.2226 74.970   2.3576  90.829  2.1089 78.324  3.9130 12.50436       4.445115 
1 1 1 21 12 37 o 56.926  2.7233 33.017   2.0318  56.952  2.9149 56.899  4.6009 0.5269623E-01  5.446561 
1 1 1 21 12 39 o 49.296  3.2109 25.367   1.9670  49.917  3.0699 48.676  5.6405 1.240646       6.421809 
1 1 1 21 12 41 o 39.116  4.1199 16.704   2.2303  38.693  5.1155 39.538  6.4597 -0.8447495     8.239900 
1 1 1 21 12 43 f 22.875  5.5647 6.1407   2.1654  19.531  7.2969 26.220  8.4034 -6.688711      11.12936 
1 1 1 21 12 45 o 14.249  4.6790 -1.5892  2.2117  13.607  6.1906 14.890  7.0177 -1.283446      9.357944 
1 1 1 21 13 0  o 147.969 3.7162 219.518  10.982  147.969 3.7162 ?       ?      0.000000       0.000000 
1 1 1 21 13 2  o 260.580 3.3267 680.570  12.259  261.030 4.7210 260.130 4.6882 0.9003906      6.653328 
1 1 1 21 13 4  o 232.043 2.6821 534.805  7.6302  229.020 2.5371 235.066 4.7263 -6.046402      5.364212 
1 1 1 21 13 6  o 72.026  2.8161 48.350   1.9459  66.938  1.9078 77.114  5.2992 -10.17681      5.632125 
1 1 1 21 13 8  o 94.064  2.0467 85.905   2.1567  90.461  1.6940 97.666  3.7265 -7.204620      4.093418 
1 1 1 21 13 10 o 274.672 2.7367 744.547  8.7884  269.074 2.3967 280.270 4.9209 -11.19678      5.473480 
1 1 1 21 13 12 o 317.218 2.8910 994.431  10.967  310.808 2.6296 323.629 5.1494 -12.82144      5.781946 
1 1 1 21 13 14 o 177.152 2.2210 312.003  4.4874  175.536 1.8551 178.767 4.0360 -3.231415      4.441956 
1 1 1 21 13 16 o 73.054  2.6643 54.768   1.7469  74.775  1.5370 71.333  5.1021 3.442520       5.328599 
1 1 1 21 13 18 o 101.152 2.3439 101.783  2.4210  100.414 1.6533 101.890 4.3866 -1.475960      4.687822 
1 1 1 21 13 20 o 79.776  2.3229 62.209   2.0067  77.445  1.8138 82.107  4.2771 -4.661987      4.645798 
1 1 1 21 13 22 o 72.236  2.7527 51.599   2.0464  71.173  1.9736 73.298  5.1396 -2.124168      5.505482 
1 1 1 21 13 24 o 68.135  1.9959 45.009   1.6882  64.387  1.9833 71.883  3.4642 -7.496040      3.991775 
1 1 1 21 13 26 o 94.227  2.1721 87.805   2.3654  92.439  1.8650 96.015  3.9235 -3.575378      4.344227 
1 1 1 21 13 28 o 57.958  2.9057 34.562   2.1367  60.425  2.8530 55.491  5.0628 4.934151       5.811369 
1 1 1 21 13 30 o 52.343  3.0834 27.789   2.0691  53.000  3.1323 51.685  5.3121 1.315662       6.166837 
1 1 1 21 13 32 o 98.009  1.9358 96.202   2.5633  96.965  2.2389 99.053  3.1586 -2.088219      3.871589 
1 1 1 21 13 34 o 44.617  3.0932 19.810   1.8590  41.859  3.6609 47.374  4.9868 -5.514828      6.186331 
1 1 1 21 13 36 o 66.557  2.6212 45.223   2.2714  67.287  2.7519 65.826  4.4619 1.461433       5.242301 
1 1 1 21 13 38 o 15.593  4.8894 -0.5661  2.1004  14.637  6.4616 16.550  7.3398 -1.913451      9.778791 
1 1 1 21 13 40 o 41.431  4.2836 19.075   2.1550  43.674  3.9473 39.187  7.6036 4.487743       8.567163 
1 1 1 21 13 42 o 19.393  5.3675 2.7839   2.1454  14.153  6.2855 24.634  8.7026 -10.48168      10.73509 
1 1 1 21 13 44 o 19.230  5.1220 3.5394   2.1156  22.688  7.3790 15.772  7.1056 6.916544       10.24402 
1 1 1 21 13 46 o 20.985  5.7157 5.6231   2.3503  21.821  6.8450 20.149  9.1556 1.672457       11.43147 
1 1 1 21 14 1  o 397.838 4.3296 1588.61  24.357  393.703 6.1304 401.973 6.1154 -8.269836      8.659115 
1 1 1 21 14 3  o 229.120 3.0433 524.028  9.8102  222.060 4.1118 236.181 4.4877 -14.12080      6.086590 
1 1 1 21 14 5  o 216.765 2.4499 471.360  6.8398  217.680 2.5226 215.850 4.2005 1.830292       4.899744 
1 1 1 21 14 7  f 239.285 2.5670 567.592  8.1271  233.660 2.8419 244.910 4.2756 -11.25026      5.133970 
1 1 1 21 14 9  o 124.153 1.8376 153.643  2.5105  123.569 1.4468 124.736 3.3784 -1.166862      3.675200 
1 1 1 21 14 11 o 74.783  2.2471 53.702   1.7677  71.278  1.7020 78.287  4.1595 -7.008316      4.494291 
1 1 1 21 14 13 o 81.149  2.3921 65.602   1.8276  80.768  1.5020 81.530  4.5423 -0.7622223     4.784165 
1 1 1 21 14 15 o 138.396 1.8512 192.207  3.0075  138.926 1.6086 137.865 3.3346 1.061005       3.702304 
1 1 1 21 14 17 o 148.539 1.9571 223.089  3.7270  151.427 1.9818 145.652 3.3755 5.775040       3.914280 
1 1 1 21 14 19 o 41.375  2.7116 17.240   1.5324  41.933  3.1976 40.816  4.3802 1.116901       5.423163 
1 1 1 21 14 21 f 67.914  2.1302 46.060   2.0253  66.610  2.7799 69.218  3.2286 -2.608513      4.260441 
1 1 1 21 14 23 o 133.566 1.7787 178.727  3.2416  133.626 2.1025 133.507 2.8695 0.1193542      3.557326 
1 1 1 21 14 25 o 49.412  2.3936 24.997   1.6125  53.050  2.7683 45.775  3.9057 7.274841       4.787214 
1 1 1 21 14 27 o 106.797 1.8523 114.618  2.7478  107.728 2.3115 105.866 2.8950 1.861870       3.704633 
1 1 1 21 14 29 o 140.214 1.6606 197.147  3.2806  140.528 2.2264 139.901 2.4645 0.6268311      3.321251 
1 1 1 21 14 31 o 54.841  2.9325 30.479   2.2555  55.181  3.8185 54.502  4.4518 0.6792107      5.865100 
1 1 1 21 14 33 o 41.951  3.0999 18.010   1.8192  45.972  4.0278 37.931  4.7133 8.040825       6.199898 
1 1 1 21 14 35 o 29.149  4.2642 9.2134   1.7216  33.197  5.0008 25.102  6.9082 8.094852       8.528301 
1 1 1 21 14 37 o 23.009  5.1064 5.8083   1.8784  24.864  6.1818 21.154  8.1293 3.710245       10.21273 
1 1 1 21 14 39 o 15.446  4.7243 -0.0803  1.9464  16.250  6.6546 14.641  6.7077 1.608212       9.448650 
1 1 1 21 14 41 o 50.959  3.0447 27.444   2.1409  51.720  3.7036 50.197  4.8336 1.522926       6.089336 
1 1 1 21 14 43 o 16.186  4.8908 0.8397   2.0587  17.294  6.8914 15.078  6.9417 2.216094       9.781602 
1 1 1 21 14 45 o 16.777  5.1875 1.6954   2.2902  16.483  6.8405 17.070  7.8005 -0.5866184     10.37500 
1 1 1 21 15 0  o 306.455 5.1913 941.283  31.798  306.455 5.1913 ?       ?      0.000000       0.000000 
1 1 1 21 15 2  o 285.906 3.6247 817.358  14.474  290.259 5.5434 281.553 4.6717 8.706635       7.249419 
1 1 1 21 15 4  o 104.581 2.1379 110.660  2.5360  106.111 1.7450 103.052 3.9034 3.058479       4.275744 
1 1 1 21 15 6  o 199.214 2.5511 396.841  6.3803  198.732 2.5061 199.695 4.4444 -0.9634399     5.102231 
1 1 1 21 15 8  o 102.573 2.2907 102.614  2.6701  99.073  1.9334 106.073 4.1535 -6.999298      4.581408 
1 1 1 21 15 10 o 258.052 2.4533 667.255  7.7550  258.341 2.2985 257.763 4.3349 0.5789490      4.906621 
1 1 1 21 15 12 o 277.226 2.2530 769.452  8.6679  276.948 2.8127 277.503 3.5204 -0.5555420     4.506031 
1 1 1 21 15 14 o 249.159 2.0599 618.269  7.0518  244.281 2.5093 254.037 3.2675 -9.756500      4.119795 
1 1 1 21 15 16 o 113.684 1.4943 129.230  2.3735  113.076 1.9199 114.293 2.2905 -1.216660      2.988698 
1 1 1 21 15 18 o 91.999  1.5967 84.298   2.0511  89.511  2.0686 94.487  2.4327 -4.975372      3.193356 
1 1 1 21 15 20 o 138.125 1.6234 190.430  3.1216  136.154 2.0634 140.096 2.5067 -3.941071      3.246720 
1 1 1 21 15 22 o 96.409  1.6403 93.123   2.2329  96.944  2.2394 95.875  2.3975 1.068146       3.280666 
1 1 1 21 15 24 o 88.809  1.8454 79.425   2.2827  90.948  2.3168 86.669  2.8732 4.278297       3.690886 
1 1 1 21 15 26 o 75.892  1.7546 57.658   1.8787  77.522  2.5533 74.263  2.4074 3.259598       3.509262 
1 1 1 21 15 28 o 79.937  2.0948 64.449   2.2776  81.142  2.4394 78.731  3.4062 2.410950       4.189578 
1 1 1 21 15 30 o 25.796  4.6797 7.1229   1.7027  26.377  5.9510 25.215  7.2238 1.161781       9.359394 
1 1 1 21 15 32 o 30.352  4.3142 9.8375   1.7855  30.078  6.3530 30.627  5.8386 -0.5493145     8.628455 
1 1 1 21 15 34 o 29.350  4.9742 9.4858   2.0253  30.108  6.3483 28.593  7.6596 1.515005       9.948430 
1 1 1 21 15 36 o 30.593  4.6396 10.419   1.9344  31.393  6.8991 29.792  6.2054 1.601011       9.279236 
1 1 1 21 15 38 o 17.042  5.0458 1.1792   1.9933  14.157  6.2442 19.928  7.9279 -5.771014      10.09167 
1 1 1 21 15 40 f 18.395  5.1734 1.7240   2.2348  14.363  6.6317 22.426  7.9422 -8.063122      10.34683 
1 1 1 21 15 42 o 32.211  5.9451 13.778   2.7314  35.828  6.4747 28.595  9.9727 7.233507       11.89018 
1 1 1 21 15 44 o 16.042  4.7485 1.9894   1.7744  15.482  6.2960 16.602  7.1100 -1.120497      9.496952 
1 1 1 21 16 1  o 111.532 2.6958 124.748  4.2458  114.424 3.6829 108.639 3.9378 5.785103       5.391650 
1 1 1 21 16 3  o 110.787 2.3630 122.653  3.4016  110.332 2.4885 111.241 4.0179 -0.9089966     4.726076 
1 1 1 21 16 5  f 109.807 2.1874 121.675  2.8235  111.099 1.8966 108.516 3.9423 2.582436       4.374737 
1 1 1 21 16 7  o 221.562 2.6466 488.301  7.3354  218.880 2.5963 224.244 4.6127 -5.364227      5.293193 
1 1 1 21 16 9  o 237.706 2.0557 565.086  6.6595  236.917 2.4256 238.495 3.3198 -1.578064      4.111466 
1 1 1 21 16 11 o 113.321 1.5385 129.452  2.3843  116.206 1.8132 110.437 2.4861 5.768715       3.077084 
1 1 1 21 16 13 o 136.727 1.5880 187.696  2.9761  138.216 1.8940 135.239 2.5495 2.977417       3.176068 
1 1 1 21 16 15 o 122.333 1.4062 149.961  2.4196  123.643 1.8591 121.023 2.1104 2.620239       2.812437 
1 1 1 21 16 17 f 72.002  1.6303 51.854   1.6577  70.985  2.2487 73.019  2.3610 -2.033508      3.260525 
1 1 1 21 16 19 o 241.698 2.0934 580.276  6.8337  235.856 2.4365 247.539 3.4048 -11.68306      4.186776 
1 1 1 21 16 21 o 271.957 2.1763 739.912  8.1233  269.754 2.6274 274.159 3.4701 -4.404419      4.352575 
1 1 1 21 16 23 o 142.737 1.5976 204.064  3.2216  141.962 2.2039 143.512 2.3136 -1.549652      3.195243 
1 1 1 21 16 25 o 117.086 1.7315 137.652  2.7979  117.752 2.1148 116.420 2.7422 1.332047       3.462960 
1 1 1 21 16 27 o 109.843 1.5630 120.839  2.4196  109.042 2.1080 110.644 2.3083 -1.601593      3.126038 
1 1 1 21 16 29 o 110.830 1.8636 122.812  2.8459  108.776 2.2893 112.885 2.9412 -4.108910      3.727152 
1 1 1 21 16 31 o 26.770  4.8284 7.5630   1.8164  30.331  7.0707 23.208  6.5771 7.122669       9.656732 
1 1 1 21 16 33 o 37.613  4.0624 15.336   2.0108  44.253  4.4728 30.972  6.7828 13.28089       8.124797 
1 1 1 21 16 35 o 28.859  4.5556 9.2348   1.8147  26.165  6.5881 31.553  6.2937 -5.387823      9.111202 
1 1 1 21 16 37 o 18.852  5.3767 2.3917   2.2056  16.080  6.8889 21.625  8.2571 -5.544403      10.75350 
1 1 1 21 16 39 o 19.711  5.3911 3.6118   2.0813  16.990  6.8436 22.431  8.3318 -5.441145      10.78211 
1 1 1 21 16 41 o 29.472  4.8998 10.496   2.0067  28.421  7.3579 30.523  6.4724 -2.101927      9.799503 
1 1 1 21 16 43 o 12.700  4.2538 -2.9730  2.0352  12.870  6.1367 12.529  5.8923 0.3405962      8.507518 
1 1 1 21 17 0  o 81.921  1.3258 67.171   2.1709  81.921  1.3258 ?       ?      0.000000       0.000000 
1 1 1 21 17 2  o 88.666  2.0289 75.478   1.9962  84.095  1.6704 93.236  3.6980 -9.141472      4.057803 
1 1 1 21 17 4  o 149.485 1.5139 223.742  3.1810  150.259 1.9972 148.710 2.2756 1.548996       3.027741 
1 1 1 21 17 6  o 141.575 1.7626 200.395  3.4700  140.867 2.2210 142.283 2.7374 -1.415970      3.525105 
1 1 1 21 17 8  o 70.545  1.3893 49.616   1.3364  69.738  1.6480 71.353  2.2371 -1.615463      2.778638 
1 1 1 21 17 10 o 99.440  1.4362 98.755   1.9865  98.485  1.8153 100.395 2.2260 -1.909531      2.872339 
1 1 1 21 17 12 o 96.836  1.3584 94.045   1.8429  98.225  1.7551 95.446  2.0738 2.779167       2.716812 
1 1 1 21 17 14 f 240.684 2.0389 579.822  6.7959  239.846 2.5290 241.521 3.1989 -1.674469      4.077831 
1 1 1 21 17 16 o 189.375 1.7925 358.825  4.6624  188.903 2.1632 189.847 2.8588 -0.9439697     3.584988 
1 1 1 21 17 18 o 103.220 1.6083 105.735  2.2566  100.460 1.9067 105.981 2.5906 -5.521339      3.216678 
1 1 1 21 17 20 o 49.855  2.5955 25.029   1.8192  46.209  3.8690 53.501  3.4610 -7.292728      5.191088 
1 1 1 21 17 22 o 127.952 1.7400 163.892  3.0818  127.339 2.1561 128.566 2.7315 -1.227028      3.479924 
1 1 1 21 17 24 o 53.789  2.2717 29.116   1.7240  51.652  3.3376 55.926  3.0826 -4.273407      4.543375 
1 1 1 21 17 26 o 99.863  1.8825 100.027  2.6309  99.731  2.4329 99.995  2.8734 -0.2648087     3.765009 
1 1 1 21 17 28 o 74.775  2.0630 56.303   2.1540  75.199  2.6322 74.352  3.1774 0.8473740      4.126048 
1 1 1 21 17 30 o 41.660  2.9808 17.623   1.7553  41.672  4.1370 41.648  4.2926 0.2330017E-01  5.961661 
1 1 1 21 17 32 o 44.218  3.4971 20.164   2.1540  44.978  4.4008 43.459  5.4361 1.519230       6.994157 
1 1 1 21 17 34 o 27.851  4.8442 8.7390   1.9134  30.669  6.2542 25.032  7.3994 5.636845       9.688454 
1 1 1 21 17 36 o 16.561  4.7363 1.6183   1.7553  17.932  6.8636 15.189  6.5285 2.742808       9.472644 
1 1 1 21 17 38 o 46.037  3.4418 22.694   2.2329  47.167  4.6026 44.906  5.1187 2.261559       6.883698 
1 1 1 21 17 40 o 15.588  4.7559 0.5359   1.9469  16.957  6.9912 14.218  6.4496 2.738778       9.511765 
1 1 1 21 17 42 o 13.858  4.4109 -0.6840  1.8701  12.986  6.1008 14.730  6.3721 -1.744493      8.821764 
1 1 1 21 17 44 o 24.396  5.6707 8.3768   2.4479  30.268  8.3725 18.523  7.6503 11.74471       11.34131 
1 1 1 21 18 1  o 177.511 1.8038 315.516  4.4505  177.782 2.2627 177.240 2.8099 0.5414581      3.607678 
1 1 1 21 18 3  o 102.962 1.7578 106.043  2.5397  103.450 2.6540 102.473 2.3054 0.9768600      3.515512 
1 1 1 21 18 5  o 109.594 1.5188 119.353  2.1550  108.012 1.5961 111.175 2.5845 -3.162346      3.037584 
1 1 1 21 18 7  o 142.112 1.7005 200.822  3.0796  140.332 1.7290 143.891 2.9287 -3.559601      3.400971 
1 1 1 21 18 9  f 102.838 1.5798 106.098  2.1180  103.357 1.6680 102.319 2.6834 1.037949       3.159510 
1 1 1 21 18 11 o 188.962 1.8309 358.520  4.7989  191.237 2.2704 186.687 2.8730 4.549973       3.661765 
1 1 1 21 18 13 o 208.857 1.8717 437.399  5.4310  210.111 2.3399 207.603 2.9218 2.508789       3.743314 
1 1 1 21 18 15 f 211.091 1.7600 445.010  5.1727  208.444 2.2361 213.738 2.7185 -5.293686      3.519987 
1 1 1 21 18 17 o 100.593 1.5551 101.483  2.1913  101.650 2.0101 99.537  2.3735 2.113190       3.110246 
1 1 1 21 18 19 o 117.007 1.5862 136.444  2.5789  114.330 2.0105 119.684 2.4541 -5.353729      3.172477 
1 1 1 21 18 21 o 94.504  1.6981 89.392   2.2555  93.573  2.2518 95.435  2.5424 -1.862152      3.396210 
1 1 1 21 18 23 o 29.090  4.3240 8.9816   1.7216  31.083  5.5400 27.098  6.6405 3.984610       8.647954 
1 1 1 21 18 25 o 66.384  2.3812 44.312   2.2348  65.422  3.4159 67.346  3.3183 -1.923660      4.762320 
1 1 1 21 18 27 o 89.938  1.8333 81.253   2.3266  90.310  2.6866 89.565  2.4951 0.7451706      3.666562 
1 1 1 21 18 29 o 63.453  2.0988 40.403   1.8701  61.583  2.7994 65.324  3.1278 -3.741367      4.197628 
1 1 1 21 18 31 o 21.763  5.7923 3.6449   2.4463  22.859  7.3747 20.668  8.9340 2.190977       11.58455 
1 1 1 21 18 33 o 22.604  5.5692 5.2413   2.1987  20.621  7.6632 24.587  8.0833 -3.966644      11.13842 
1 1 1 21 18 35 o 44.348  3.4664 20.689   2.1690  42.041  5.0120 46.655  4.7900 -4.614613      6.932793 
1 1 1 21 18 37 f 26.790  4.3740 8.2204   1.6276  28.231  6.0553 25.349  6.3135 2.881929       8.747927 
1 1 1 21 18 39 f 45.272  3.7863 22.312   2.4112  48.105  5.4419 42.439  5.2658 5.666214       7.572541 
1 1 1 21 18 41 o 19.285  5.3681 3.2351   2.2702  24.070  8.4939 14.501  6.5664 9.569761       10.73615 
1 1 1 21 18 43 o 22.262  5.4991 6.8958   2.1709  24.385  7.8494 20.139  7.7039 4.246265       10.99828 
1 1 1 21 19 0  o 91.036  2.5998 83.133   4.7249  91.036  2.5998 ?       ?      0.000000       0.000000 
1 1 1 21 19 2  o 100.309 1.5525 100.578  2.1987  98.276  2.1440 102.342 2.2460 -4.065544      3.105072 
1 1 1 21 19 4  o 36.149  1.8613 12.642   0.9194  31.744  2.4137 40.555  2.8340 -8.811163      3.722554 
1 1 1 21 19 6  o 94.877  1.4345 90.074   1.8964  94.784  1.8188 94.970  2.2187 -0.1860046     2.868901 
1 1 1 21 19 8  o 112.992 1.6076 127.224  2.4053  111.774 1.7709 114.209 2.6835 -2.434303      3.215162 
1 1 1 21 19 10 o 158.010 1.6917 249.947  3.7401  157.925 2.1833 158.095 2.5848 -0.1699219     3.383453 
1 1 1 21 19 12 o 117.461 1.7709 137.457  2.8038  115.857 2.0391 119.064 2.8958 -3.207283      3.541746 
1 1 1 21 19 14 o 93.193  1.5539 86.761   2.0253  92.038  2.0118 94.348  2.3687 -2.309181      3.107735 
1 1 1 21 19 16 o 130.575 1.7082 170.444  3.0648  129.653 2.0684 131.497 2.7192 -1.844147      3.416446 
1 1 1 21 19 18 o 72.255  1.9724 52.400   2.0067  72.883  2.6282 71.627  2.9417 1.256317       3.944769 
1 1 1 21 19 20 o 129.616 1.5496 167.964  2.8324  126.379 2.1220 132.853 2.2589 -6.474014      3.099225 
1 1 1 21 19 22 o 168.328 1.6692 283.313  3.9083  166.215 2.1128 170.440 2.5849 -4.225220      3.338488 
1 1 1 21 19 24 o 105.997 1.6717 113.015  2.4754  107.976 2.1288 104.017 2.5782 3.959290       3.343457 
1 1 1 21 19 26 o 144.959 1.7617 211.112  3.6005  145.164 2.3752 144.753 2.6025 0.4108276      3.523413 
1 1 1 21 19 28 o 128.406 1.7806 165.598  3.1988  127.501 2.3036 129.312 2.7157 -1.811256      3.561163 
1 1 1 21 19 30 o 31.426  4.6740 10.729   2.0108  31.664  6.4748 31.188  6.7424 0.4760685      9.347901 
1 1 1 21 19 32 o 23.749  5.1472 6.1935   1.9155  21.779  7.3790 25.719  7.1780 -3.939487      10.29435 
1 1 1 21 19 34 o 31.125  5.3936 11.265   2.3607  29.185  7.7456 33.064  7.5079 -3.878410      10.78716 
1 1 1 21 19 36 o 19.050  5.3239 3.1544   2.1004  19.405  7.9120 18.695  7.1256 0.7104111      10.64772 
1 1 1 21 19 38 o 21.412  5.3075 5.1719   2.0432  18.808  7.4073 24.015  7.6034 -5.207310      10.61509 
1 1 1 21 19 40 o 19.146  5.3223 3.5954   2.1907  20.559  7.2346 17.733  7.8083 2.825901       10.64466 
1 1 1 21 19 42 f 18.300  5.5356 3.2675   2.5524  18.615  7.8401 17.984  7.8169 0.6308231      11.07117 
1 1 1 21 20 1  o 266.879 2.1147 713.575  7.9808  268.777 2.9932 264.981 2.9879 3.795807       4.229332 
1 1 1 21 20 3  o 94.899  1.4053 89.919   1.8701  96.372  2.1201 93.425  1.8453 2.946693       2.810699 
1 1 1 21 20 5  o 79.570  1.5808 62.931   1.6857  78.102  1.7986 81.038  2.6001 -2.935883      3.161549 
1 1 1 21 20 7  o 62.676  1.5657 39.480   1.3542  63.702  1.9044 61.650  2.4857 2.051754       3.131367 
1 1 1 21 20 9  o 51.830  1.6987 26.650   1.2246  49.621  2.1875 54.040  2.5994 -4.419243      3.397348 
1 1 1 21 20 11 o 158.439 1.7222 251.491  3.7789  158.766 2.1315 158.111 2.7057 0.6552582      3.444400 
1 1 1 21 20 13 o 34.473  2.8156 11.930   1.3720  33.829  3.9637 35.118  4.0000 -1.289536      5.631206 
1 1 1 21 20 15 o 111.922 1.7236 125.751  2.6952  113.139 2.2010 110.706 2.6531 2.432457       3.447199 
1 1 1 21 20 17 o 26.038  4.1680 7.0833   1.4835  27.183  6.2362 24.893  5.5316 2.290068       8.336017 
1 1 1 21 20 19 o 43.111  2.7279 18.684   1.6503  42.762  3.5836 43.459  4.1138 -0.6973495     5.455750 
1 1 1 21 20 21 o 57.220  2.4489 32.902   1.9773  54.274  3.5294 60.167  3.3959 -5.893597      4.897802 
1 1 1 21 20 23 f 59.742  2.2300 35.839   1.8787  59.010  3.0297 60.475  3.2731 -1.464489      4.460025 
1 1 1 21 20 25 o 130.082 1.9282 169.964  3.5296  131.240 2.8705 128.925 2.5753 2.314911       3.856399 
1 1 1 21 20 27 o 27.256  4.9382 8.0196   1.8964  26.878  6.4801 27.635  7.4532 -0.7563782     9.876373 
1 1 1 21 20 29 o 42.727  3.5301 18.948   2.0993  44.968  4.4017 40.485  5.5200 4.483589       7.060136 
1 1 1 21 20 31 o 37.507  3.6051 14.503   1.8815  35.259  4.7083 39.755  5.4607 -4.496067      7.210213 
1 1 1 21 20 33 o 18.538  5.0962 2.8304   1.9050  18.583  6.8186 18.494  7.5757 0.8861542E-01  10.19237 
1 1 1 21 20 35 o 33.600  4.7047 12.753   2.1913  37.853  6.2411 29.346  7.0418 8.507166       9.409467 
1 1 1 21 20 37 o 19.126  5.4973 3.0543   2.3196  20.582  8.1548 17.669  7.3743 2.912889       10.99456 
1 1 1 21 20 39 o 28.287  5.3556 10.006   2.2056  33.178  7.6556 23.395  7.4915 9.783203       10.71125 
1 1 1 21 20 41 o 15.939  5.0838 0.4688   2.4112  17.337  7.6645 14.541  6.6809 2.795568       10.16756 
1 1 1 21 21 0  o 68.601  2.3328 47.249   3.1925  68.601  2.3328 ?       ?      0.000000       0.000000 
1 1 1 21 21 2  o 77.493  1.5175 59.793   1.6380  79.462  2.3302 75.524  1.9445 3.938408       3.034972 
1 1 1 21 21 4  o 240.100 2.0120 577.399  6.8314  241.532 2.8550 238.667 2.8358 2.864578       4.024063 
1 1 1 21 21 6  o 212.077 2.1038 451.366  6.2697  214.825 2.7642 209.329 3.1723 5.495575       4.207584 
1 1 1 21 21 8  o 133.051 1.6539 176.129  2.9318  130.952 1.8528 135.151 2.7401 -4.198425      3.307776 
1 1 1 21 21 10 o 141.316 1.6115 200.714  3.1606  143.708 1.9994 138.924 2.5278 4.784012       3.222964 
1 1 1 21 21 12 o 89.952  1.7408 81.379   2.1987  92.834  2.2697 87.069  2.6400 5.764854       3.481538 
1 1 1 21 21 14 o 233.377 2.0705 548.037  6.6814  236.494 2.5379 230.259 3.2721 6.235504       4.140968 
1 1 1 21 21 16 o 193.851 1.8625 377.339  5.0309  195.252 2.3545 192.451 2.8864 2.801453       3.724958 
1 1 1 21 21 18 o 19.856  4.6299 3.5501   1.5937  23.669  6.7072 16.043  6.3842 7.626945       9.259816 
1 1 1 21 21 20 o 94.147  1.8221 88.848   2.4246  96.072  2.5920 92.221  2.5617 3.850647       3.644286 
1 1 1 21 21 22 o 76.897  2.2096 59.621   2.3906  78.742  2.9192 75.053  3.3179 3.689087       4.419286 
1 1 1 21 21 24 o 51.927  2.7908 27.328   2.0432  49.591  4.1202 54.263  3.7654 -4.672554      5.581554 
1 1 1 21 21 26 o 57.074  2.6522 33.002   2.1347  56.940  3.5884 57.207  3.9064 -0.2672729     5.304389 
1 1 1 21 21 28 o 52.969  2.6165 28.655   1.9469  50.062  3.9538 55.876  3.4281 -5.814716      5.233058 
1 1 1 21 21 30 o 34.905  4.8456 13.483   2.2117  36.303  5.1005 33.507  8.2403 2.796593       9.691160 
1 1 1 21 21 32 o 34.478  4.0088 12.917   1.8787  39.516  5.0090 29.440  6.2604 10.07592       8.017667 
1 1 1 21 21 34 o 29.240  4.7317 9.8819   1.9134  29.864  6.7811 28.615  6.6008 1.249241       9.463325 
1 1 1 21 21 36 o 15.940  4.8479 0.8712   1.9464  15.490  6.5235 16.391  7.1731 -0.9018641     9.695878 
1 1 1 21 21 38 o 16.428  5.0105 0.7268   2.1540  13.594  6.2631 19.261  7.8227 -5.667284      10.02102 
1 1 1 21 21 40 o 14.330  4.7639 -2.2024  2.4479  15.596  7.1919 13.064  6.2494 2.531925       9.527775 
1 1 1 21 22 1  o 125.844 1.6863 158.564  2.9996  125.087 2.3481 126.602 2.4208 -1.514343      3.372513 
1 1 1 21 22 3  o 178.076 1.8779 317.865  4.7215  176.561 2.7484 179.591 2.5598 -3.029648      3.755867 
1 1 1 21 22 5  o 129.366 1.5904 167.337  2.8880  130.710 2.3936 128.023 2.0947 2.686966       3.180759 
1 1 1 21 22 7  o 69.082  1.7986 47.554   1.6388  69.931  3.0130 68.233  1.9651 1.698784       3.597245 
1 1 1 21 22 9  o 75.854  1.7001 57.551   1.8057  75.067  2.2115 76.641  2.5827 -1.573540      3.400120 
1 1 1 21 22 11 o 34.967  3.1276 12.387   1.5324  32.227  4.7550 37.706  4.0641 -5.478134      6.255170 
1 1 1 21 22 13 o 167.265 1.8427 281.443  4.2416  169.419 2.2236 165.111 2.9390 4.308136       3.685391 
1 1 1 21 22 15 o 151.493 1.6814 231.120  3.5574  155.566 2.1343 147.420 2.5987 8.146515       3.362814 
1 1 1 21 22 17 o 97.085  1.6335 93.824   2.1892  94.456  2.0279 99.715  2.5613 -5.258583      3.266947 
1 1 1 21 22 19 o 125.286 1.7897 157.316  3.1345  124.709 2.3040 125.863 2.7394 -1.153137      3.579499 
1 1 1 21 22 21 o 79.090  2.0008 62.957   2.2348  81.512  2.7417 76.668  2.9149 4.843887       4.001637 
1 1 1 21 22 23 o 55.357  2.6082 30.856   2.0352  52.856  3.6240 57.858  3.7521 -5.002094      5.216492 
1 1 1 21 22 25 o 30.501  5.4590 10.233   2.3607  29.502  8.0165 31.501  7.4122 -1.999659      10.91808 
1 1 1 21 22 27 o 18.354  5.0852 2.2295   1.9427  16.330  6.8126 20.379  7.5516 -4.048937      10.17047 
1 1 1 21 22 29 o 25.588  4.4524 7.3428   1.6601  20.742  6.8695 30.434  5.6662 -9.691753      8.904851 
1 1 1 21 22 31 o 31.055  4.7860 10.910   2.0253  30.155  6.3410 31.956  7.1705 -1.800909      9.572056 
1 1 1 21 22 33 o 32.115  4.8550 11.987   2.1347  32.506  7.0721 31.723  6.6535 0.7827206      9.710024 
1 1 1 21 22 35 o 30.699  4.9411 11.284   2.1051  33.255  6.3714 28.143  7.5541 5.111614       9.882262 
1 1 1 21 22 37 o 43.719  3.7932 21.438   2.2827  46.521  4.5293 40.917  6.0859 5.603397       7.586346 
1 1 1 21 22 39 f 17.456  5.0273 2.8419   2.0108  15.237  6.7087 19.676  7.4893 -4.438848      10.05465 
1 1 1 21 23 0  o 187.068 2.5952 350.539  9.7053  187.068 2.5952 ?       ?      0.000000       0.000000 
1 1 1 21 23 2  f 238.807 2.0427 572.014  6.8935  237.605 2.9560 240.009 2.8200 -2.404526      4.085334 
1 1 1 21 23 4  o 114.581 1.6157 131.495  2.6163  115.245 2.3270 113.918 2.2420 1.327225       3.231301 
1 1 1 21 23 6  o 51.005  2.1055 26.257   1.4835  49.674  3.3420 52.336  2.5620 -2.662716      4.211068 
1 1 1 21 23 8  o 78.323  1.7709 61.525   1.9218  78.098  2.7797 78.547  2.1948 -0.4490280     3.541766 
1 1 1 21 23 10 o 52.643  2.2728 27.817   1.6914  51.556  3.2200 53.731  3.2085 -2.175045      4.545672 
1 1 1 21 23 12 o 131.795 1.7259 174.593  3.1606  133.380 2.1542 130.210 2.6970 3.169540       3.451719 
1 1 1 21 23 14 o 140.990 1.8006 199.674  3.5574  142.356 2.3323 139.623 2.7438 2.732971       3.601165 
1 1 1 21 23 16 o 98.679  1.8680 97.570   2.5383  98.269  2.2741 99.090  2.9641 -0.8211060     3.735987 
1 1 1 21 23 18 o 65.458  2.1068 42.828   1.9218  63.692  2.7067 67.225  3.2293 -3.532959      4.213674 
1 1 1 21 23 20 o 15.704  4.6020 0.0867   1.7855  13.383  6.1205 18.025  6.8740 -4.642536      9.203921 
1 1 1 21 23 22 o 80.168  2.1979 64.759   2.4836  79.605  2.9677 80.732  3.2427 -1.126381      4.395724 
1 1 1 21 23 24 o 75.089  2.0444 56.891   2.1709  75.302  2.8830 74.877  2.8993 0.4251633      4.088709 
1 1 1 21 23 26 o 30.801  4.2396 10.034   1.7513  27.534  5.7527 34.068  6.2292 -6.534046      8.479166 
1 1 1 21 23 28 o 18.859  5.3910 2.2256   2.1691  21.939  8.4412 15.779  6.7082 6.160588       10.78209 
1 1 1 21 23 30 o 53.587  2.6528 29.298   1.9702  56.314  4.0818 50.860  3.3896 5.453854       5.305693 
1 1 1 21 23 32 o 45.426  3.5525 22.311   2.2329  51.660  4.4495 39.192  5.5391 12.46783       7.104914 
1 1 1 21 23 34 o 39.995  3.9319 17.689   2.1987  42.083  5.0070 37.908  6.0637 4.175045       7.863763 
1 1 1 21 23 36 o 19.390  5.5965 3.5891   2.4196  20.566  8.2228 18.214  7.5940 2.352228       11.19300 
1 1 1 21 23 38 o 30.804  5.1644 13.356   2.3854  22.820  8.9803 38.789  5.1029 -15.96893      10.32887 
1 1 1 21 24 1  o 70.088  1.9008 49.249   1.8830  68.269  2.7123 71.907  2.6639 -3.637436      3.801682 
1 1 1 21 24 3  o 125.094 1.6241 156.760  2.8719  124.079 2.2642 126.109 2.3290 -2.030258      3.248244 
1 1 1 21 24 5  o 44.709  2.3772 19.875   1.4672  46.464  3.7103 42.955  2.9729 3.509876       4.754421 
1 1 1 21 24 7  o 41.213  2.8621 17.247   1.5775  40.235  4.7609 42.191  3.1781 -1.956593      5.724149 
1 1 1 21 24 9  o 74.063  1.8328 54.860   1.8964  75.247  2.8002 72.879  2.3655 2.367966       3.665620 
1 1 1 21 24 11 o 126.296 1.8232 160.009  3.2564  126.903 2.5660 125.690 2.5908 1.213348       3.646475 
1 1 1 21 24 13 o 127.799 1.7151 163.850  3.0938  128.734 2.3311 126.864 2.5165 1.869881       3.430289 
1 1 1 21 24 15 o 105.159 1.8091 110.814  2.6574  104.404 2.3240 105.914 2.7731 -1.510178      3.618139 
1 1 1 21 24 17 o 93.521  1.7888 87.851   2.3556  93.475  2.3908 93.566  2.6614 -0.9075928E-01 3.577542 
1 1 1 21 24 19 o 80.977  2.2029 66.049   2.5217  82.743  3.0867 79.210  3.1437 3.533203       4.405756 
1 1 1 21 24 21 o 54.829  2.8058 30.554   2.1690  53.757  4.1572 55.901  3.7693 -2.144108      5.611578 
1 1 1 21 24 23 o 97.369  1.9081 95.228   2.5789  99.039  2.9656 95.699  2.4019 3.340477       3.816295 
1 1 1 21 24 25 o 38.718  3.6772 15.561   2.0108  37.257  5.3128 40.179  5.0853 -2.921906      7.354344 
1 1 1 21 24 27 o 32.385  4.5178 11.953   2.0108  24.839  7.5545 39.931  4.9569 -15.09219      9.035601 
1 1 1 21 24 29 o 57.141  2.8536 33.944   2.2915  56.405  4.3016 57.877  3.7509 -1.471138      5.707281 
1 1 1 21 24 31 o 56.197  2.7208 33.067   2.1156  54.926  4.3012 57.467  3.3332 -2.541759      5.441571 
1 1 1 21 24 33 o 29.128  4.6870 10.324   2.0352  36.867  5.1957 21.388  7.8023 15.47853       9.374025 
1 1 1 21 24 35 o 15.029  4.5690 0.4668   1.8318  13.668  6.3223 16.391  6.5978 -2.722467      9.137976 
1 1 1 21 24 37 o 24.549  5.3528 8.2148   2.0412  23.567  7.4860 25.531  7.6531 -1.964025      10.70560 
1 1 1 21 25 0  o 66.313  2.9005 44.312   3.8310  66.313  2.9005 ?       ?      0.000000       0.000000 
1 1 1 21 25 2  o 62.482  2.0597 39.144   1.8147  63.389  3.0218 61.576  2.7997 1.813282       4.119476 
1 1 1 21 25 4  o 69.672  1.9522 48.673   1.8964  69.968  3.0115 69.376  2.4849 0.5918198      3.904338 
1 1 1 21 25 6  o 64.693  1.9948 42.067   1.8147  63.890  2.9981 65.495  2.6322 -1.604473      3.989651 
1 1 1 21 25 8  o 57.501  2.2784 32.644   1.6937  59.485  3.8642 55.516  2.4152 3.968887       4.556890 
1 1 1 21 25 10 o 80.926  2.0174 64.548   2.1044  83.806  3.4285 78.047  2.1271 5.759483       4.034706 
1 1 1 21 25 12 o 128.922 1.7868 166.645  3.1533  129.205 2.8662 128.639 2.1343 0.5653992      3.573608 
1 1 1 21 25 14 o 83.691  1.9961 70.427   2.3625  83.348  2.8345 84.034  2.8113 -0.6866379     3.992208 
1 1 1 21 25 16 o 25.816  4.9375 7.1204   1.8495  27.355  6.9787 24.276  6.9867 3.079037       9.875041 
1 1 1 21 25 18 o 44.930  3.0789 20.589   1.9469  42.929  4.6108 46.932  4.0815 -4.003315      6.157753 
1 1 1 21 25 20 o 85.048  2.0704 72.981   2.4902  85.086  2.9267 85.011  2.9292 0.7507324E-01  4.140750 
1 1 1 21 25 22 o 72.121  2.6589 52.997   2.5386  71.650  4.4557 72.592  2.9026 -0.9417038     5.317760 
1 1 1 21 25 24 o 35.585  4.4336 13.568   2.1240  36.455  7.0835 34.715  5.3338 1.739899       8.867126 
1 1 1 21 25 26 o 21.266  5.2503 4.6621   1.8590  23.095  8.1672 19.436  6.6000 3.659248       10.50067 
1 1 1 21 25 28 o 34.771  5.0444 13.885   2.3837  35.706  6.4991 33.835  7.7166 1.871330       10.08887 
1 1 1 21 25 30 o 18.987  5.1589 3.3532   1.9773  20.174  7.3320 17.800  7.2595 2.374239       10.31790 
1 1 1 21 25 32 o 45.080  3.4061 21.867   2.1634  42.246  4.8364 47.914  4.7974 -5.667538      6.812218 
1 1 1 21 25 34 o 42.747  3.8636 20.499   2.2951  43.857  5.9691 41.637  4.9072 2.220024       7.727248 
1 1 1 21 25 36 o 30.288  5.5126 12.757   2.4196  26.642  8.5076 33.934  7.0125 -7.291809      11.02517 
1 1 1 21 26 1  o 210.459 1.9959 444.679  5.9374  208.494 2.8787 212.424 2.7653 -3.930267      3.991754 
1 1 1 21 26 3  o 210.320 2.0181 444.042  6.0013  210.905 2.8155 209.734 2.8921 1.170517       4.036288 
1 1 1 21 26 5  o 134.559 1.7506 181.650  3.3006  134.244 2.6635 134.874 2.2724 -0.6295013     3.501143 
1 1 1 21 26 7  o 100.879 1.7630 102.269  2.4492  100.174 2.8046 101.584 2.1371 -1.410812      3.525982 
1 1 1 21 26 9  o 47.835  2.7253 23.410   1.7308  46.027  4.5779 49.642  2.9583 -3.614918      5.450531 
1 1 1 21 26 11 o 45.642  3.1022 22.224   1.7724  40.774  5.4809 50.510  2.9075 -9.736477      6.204328 
1 1 1 21 26 13 o 15.039  4.5872 -0.2730  1.7108  15.429  7.0123 14.648  5.9158 0.7803135      9.174398 
1 1 1 21 26 15 o 58.728  2.4690 34.926   2.0432  61.609  3.3164 55.847  3.6586 5.762260       4.937998 
1 1 1 21 26 17 o 87.922  1.8534 77.901   2.2915  88.645  2.4490 87.199  2.7825 1.445961       3.706725 
1 1 1 21 26 19 o 75.775  2.0906 57.755   2.2056  74.221  2.6669 77.329  3.2202 -3.108444      4.181133 
1 1 1 21 26 21 o 89.668  2.3147 82.150   2.8964  85.326  3.5919 94.010  2.9205 -8.683708      4.629356 
1 1 1 21 26 23 o 35.653  4.2708 13.761   2.0993  35.938  6.4527 35.367  5.5966 0.5709343      8.541645 
1 1 1 21 26 25 o 20.141  5.0083 3.1147   2.0412  25.894  7.6281 14.387  6.4918 11.50714       10.01655 
1 1 1 21 26 27 o 29.827  5.4654 10.616   2.3003  27.982  8.8078 31.672  6.4733 -3.690214      10.93074 
1 1 1 21 26 29 o 40.028  3.2413 17.083   1.8192  37.513  4.9360 42.542  4.2024 -5.029331      6.482660 
1 1 1 21 26 31 o 27.953  5.0551 9.6300   2.4492  19.150  8.2057 36.757  5.9062 -17.60697      10.11024 
1 1 1 21 26 33 o 28.235  5.4301 10.499   2.2056  28.060  8.3011 28.410  7.0027 -0.3503475     10.86027 
1 1 1 21 26 35 o 18.639  5.1733 2.7162   2.3556  23.409  7.9703 13.870  6.5974 9.538809       10.34654 
1 1 1 21 27 0  o 272.287 3.1901 744.113  17.367  272.287 3.1901 ?       ?      0.000000       0.000000 
1 1 1 21 27 2  o 227.369 2.0751 519.852  6.6722  226.504 2.9317 228.233 2.9375 -1.728897      4.150142 
1 1 1 21 27 4  o 175.654 1.9664 310.196  4.8844  175.212 2.8060 176.097 2.7557 -0.8845978     3.932864 
1 1 1 21 27 6  o 77.829  2.1252 61.179   2.2348  76.967  3.4843 78.691  2.4342 -1.723953      4.250349 
1 1 1 21 27 8  o 36.944  3.9988 14.117   1.8784  36.813  6.8467 37.075  4.1333 -0.2617073     7.997611 
1 1 1 21 27 10 o 56.297  2.7756 31.096   2.0691  60.275  4.5550 52.320  3.1730 7.955738       5.551264 
1 1 1 21 27 12 o 66.278  2.4045 44.581   2.1246  65.338  4.0066 67.217  2.6597 -1.879074      4.809087 
1 1 1 21 27 14 o 29.653  4.8890 9.5895   1.8018  27.421  8.8274 31.885  4.2053 -4.463686      9.777938 
1 1 1 21 27 16 o 117.166 2.0377 139.194  3.3372  120.509 2.5962 113.823 3.1414 6.685837       4.075360 
1 1 1 21 27 18 o 126.565 1.8552 161.605  3.3202  127.649 2.6010 125.480 2.6460 2.169296       3.710373 
1 1 1 21 27 20 f 31.636  5.5019 11.493   2.4519  28.212  9.3338 35.060  5.8278 -6.847563      11.00380 
1 1 1 21 27 22 o 26.376  5.3577 8.0032   2.1004  25.261  8.3048 27.490  6.7714 -2.228073      10.71547 
1 1 1 21 27 24 o 26.061  4.7934 7.8034   1.7855  25.325  7.0538 26.798  6.4923 -1.472832      9.586791 
1 1 1 21 27 26 o 21.133  5.2632 4.4531   2.1691  17.685  7.7513 24.581  7.1221 -6.896255      10.52647 
1 1 1 21 27 28 o 29.245  5.7919 10.701   2.4836  29.791  8.4164 28.699  7.9591 1.092102       11.58378 
1 1 1 21 27 30 o 44.555  3.9092 22.049   2.4545  47.442  5.3835 41.667  5.6698 5.774300       7.818496 
1 1 1 21 27 32 o 41.152  3.5501 18.414   1.9921  45.043  5.5285 37.261  4.4553 7.781563       7.100286 
1 1 1 21 27 34 o 20.409  5.6710 5.5422   2.3429  21.525  8.5519 19.292  7.4502 2.232759       11.34198 
1 1 1 21 28 1  o 217.205 2.0273 474.770  6.2253  213.376 2.9026 221.035 2.8309 -7.658646      4.054551 
1 1 1 21 28 3  o 171.360 1.9537 295.517  4.7111  170.523 2.9206 172.197 2.5956 -1.673325      3.907318 
1 1 1 21 28 5  o 72.967  2.1349 53.634   2.2024  72.975  2.9749 72.960  3.0630 0.1556396E-01  4.269886 
1 1 1 21 28 7  o 77.809  2.1357 61.237   2.3091  76.438  3.3413 79.181  2.6611 -2.743011      4.271495 
1 1 1 21 28 9  f 68.925  2.5253 48.150   2.3658  68.473  4.1029 69.377  2.9451 -0.9035873     5.050520 
1 1 1 21 28 11 f 47.512  2.9508 23.118   1.9050  46.449  4.8112 48.575  3.4177 -2.125233      5.901527 
1 1 1 21 28 13 o 34.583  4.3918 11.956   2.0013  40.498  6.6218 28.667  5.7710 11.83110       8.783630 
1 1 1 21 28 15 o 35.048  4.7813 13.148   1.9137  34.355  8.7175 35.742  3.9302 -1.387005      9.562519 
1 1 1 21 28 17 o 54.719  2.7715 30.637   2.1347  58.802  3.8005 50.636  4.0351 8.165379       5.543088 
1 1 1 21 28 19 o 52.712  3.7059 29.616   2.6072  50.503  6.1951 54.922  4.0690 -4.418926      7.411847 
1 1 1 21 28 21 o 40.745  3.4595 17.446   1.9464  40.937  5.4590 40.553  4.2511 0.3839340      6.919020 
1 1 1 21 28 23 o 35.508  4.2355 13.833   2.0746  37.793  5.5752 33.222  6.3777 4.571167       8.471016 
1 1 1 21 28 25 o 32.357  4.7500 12.177   2.1385  37.319  5.6460 27.395  7.6401 9.924278       9.499973 
1 1 1 21 28 27 f 13.500  4.4584 -4.4660  2.2776  11.998  5.9466 15.002  6.6442 -3.003859      8.916752 
1 1 1 21 28 29 o 18.582  5.1001 2.9194   2.0746  15.231  6.7909 21.934  7.6109 -6.703071      10.20013 
1 1 1 21 28 31 o 18.834  5.6286 2.8325   2.6309  22.167  8.7669 15.501  7.0615 6.665521       11.25713 
1 1 1 21 29 0  o 61.819  3.5359 38.821   4.3418  61.819  3.5359 ?       ?      0.000000       0.000000 
1 1 1 21 29 2  o 85.772  2.0603 74.050   2.4640  86.517  3.1734 85.027  2.6283 1.490906       4.120522 
1 1 1 21 29 4  o 92.900  2.0925 87.151   2.7441  91.506  3.0702 94.294  2.8440 -2.787628      4.185017 
1 1 1 21 29 6  o 67.308  2.4851 45.506   2.3193  69.750  3.8448 64.867  3.1498 4.882645       4.970290 
1 1 1 21 29 8  o 76.121  2.4358 58.506   2.4973  76.773  3.9921 75.469  2.7920 1.304047       4.871504 
1 1 1 21 29 10 o 104.343 1.8777 109.734  2.6921  104.525 2.9932 104.161 2.2681 0.3632736      3.755487 
1 1 1 21 29 12 o 90.055  2.2318 82.759   2.6949  87.983  3.7011 92.126  2.4951 -4.142441      4.463605 
1 1 1 21 29 14 o 38.240  5.0389 15.958   2.4121  37.784  8.7783 38.697  4.9501 -0.9128761     10.07782 
1 1 1 21 29 16 o 38.924  4.5283 17.060   2.1367  35.509  8.0897 42.339  4.0718 -6.829666      9.056627 
1 1 1 21 29 18 o 18.550  5.6568 0.9304   2.6270  20.489  8.6668 16.612  7.2722 3.877010       11.31363 
1 1 1 21 29 20 o 18.218  5.0602 2.6945   1.9134  17.893  7.2036 18.542  7.1086 -0.6488132     10.12045 
1 1 1 21 29 22 o 15.969  4.8668 0.5427   2.0113  16.379  6.7537 15.558  7.0093 0.8206491      9.733619 
1 1 1 21 29 24 o 17.518  5.2819 1.3905   2.2702  19.374  8.0365 15.661  6.8562 3.712216       10.56381 
1 1 1 21 29 26 o 18.323  5.5448 2.0672   2.5141  19.266  8.2785 17.380  7.3787 1.886164       11.08953 
1 1 1 21 29 28 o 17.532  5.1238 2.3787   2.1347  15.892  7.0465 19.172  7.4406 -3.280228      10.24766 
1 1 1 21 29 30 o 41.442  4.2380 20.092   2.4492  45.448  6.1816 37.435  5.7991 8.012669       8.475938 
1 1 1 21 30 1  o 104.984 1.9814 111.350  2.9316  104.301 2.9384 105.667 2.6588 -1.365692      3.962749 
1 1 1 21 30 3  o 63.692  2.5882 41.254   2.3301  63.276  3.7336 64.107  3.5856 -0.8312111     5.176495 
1 1 1 21 30 5  o 21.658  5.3381 4.6012   2.0352  20.319  7.7240 22.997  7.3703 -2.677435      10.67616 
1 1 1 21 30 7  o 26.102  5.6141 7.1297   2.1367  30.043  8.7948 22.161  6.9801 7.881714       11.22810 
1 1 1 21 30 9  o 52.978  3.0315 29.149   2.1246  51.269  5.1061 54.687  3.2692 -3.417679      6.063010 
1 1 1 21 30 11 o 100.417 2.1598 102.864  2.8909  99.425  3.5963 101.409 2.3926 -1.983871      4.319503 
1 1 1 21 30 13 o 94.401  2.0889 90.813   2.6728  93.668  3.4084 95.134  2.4162 -1.466682      4.177896 
1 1 1 21 30 15 o 28.071  4.9232 9.1654   2.0374  23.005  8.3599 33.137  5.2025 -10.13253      9.846467 
1 1 1 21 30 17 o 18.176  5.4131 0.5554   2.5386  16.466  7.7152 19.886  7.5948 -3.419939      10.82612 
1 1 1 21 30 19 f 21.193  5.3256 4.9175   2.0108  21.247  7.4796 21.139  7.5833 0.1079407      10.65130 
1 1 1 21 30 21 o 26.169  5.7815 8.3789   2.3940  27.756  8.0456 24.582  8.3048 3.173672       11.56295 
1 1 1 21 30 23 o 50.255  3.3228 27.050   2.3556  51.644  4.8218 48.867  4.5732 2.777115       6.645568 
1 1 1 21 30 25 o 27.763  5.2611 9.6633   2.1004  26.202  8.2846 29.324  6.4872 -3.121597      10.52227 
1 1 1 21 30 27 o 19.070  5.7380 2.9070   2.8324  16.993  7.7799 21.148  8.4362 -4.155310      11.47592 
1 1 1 21 30 29 o 23.283  5.5751 7.4159   2.1469  26.702  8.5057 19.865  7.2098 6.836782       11.15027 
1 1 1 21 31 0  o 118.607 2.6408 141.748  6.2573  118.607 2.6408 ?       ?      0.000000       0.000000 
1 1 1 21 31 2  o 134.486 1.9822 183.513  3.7661  132.911 2.8824 136.061 2.7218 -3.150406      3.964414 
1 1 1 21 31 4  o 84.469  2.1642 72.525   2.5824  86.606  3.0965 82.333  3.0245 4.273392       4.328487 
1 1 1 21 31 6  o 22.343  5.3420 5.2880   2.0374  20.857  8.1891 23.829  6.8618 -2.971077      10.68392 
1 1 1 21 31 8  o 32.404  4.8112 11.274   2.1691  40.787  6.4184 24.021  7.1690 16.76520       9.622411 
1 1 1 21 31 10 o 51.491  3.8998 28.210   2.5150  50.504  6.8270 52.477  3.7718 -1.973579      7.799696 
1 1 1 21 31 12 o 56.001  3.3237 32.755   2.3944  56.018  5.6991 55.983  3.4216 0.3534317E-01  6.647312 
1 1 1 21 31 14 o 66.483  2.9925 44.832   2.4946  69.004  5.1818 63.961  2.9948 5.042816       5.984935 
1 1 1 21 31 16 o 68.188  3.2434 48.740   3.0016  69.304  5.2515 67.071  3.8079 2.233185       6.486768 
1 1 1 21 31 18 o 33.126  5.8951 12.685   2.4689  36.438  9.9050 29.814  6.3953 6.624348       11.79021 
1 1 1 21 31 20 o 22.437  5.4166 5.2357   2.2915  16.546  7.1541 28.328  8.1349 -11.78178      10.83312 
1 1 1 21 31 22 o 29.553  5.5864 10.838   2.4492  36.337  7.9500 22.769  7.8505 13.56794       11.17288 
1 1 1 21 31 24 o 16.375  5.1266 0.1095   2.4545  14.516  6.8200 18.234  7.6560 -3.718077      10.25314 
1 1 1 21 31 26 o 18.461  5.4696 3.3679   2.3225  19.806  8.3340 17.116  7.0860 2.689816       10.93919 
1 1 1 21 32 1  o 41.885  4.4803 19.012   2.6402  41.978  6.6927 41.793  5.9583 0.1845665      8.960670 
1 1 1 21 32 3  o 31.662  5.6871 11.803   2.5476  31.769  8.3365 31.556  7.7378 0.2130432      11.37415 
1 1 1 21 32 5  o 43.298  4.2231 20.237   2.5855  43.624  6.0010 42.972  5.9435 0.6522408      8.446107 
1 1 1 21 32 7  o 119.818 2.0381 145.622  3.4054  122.756 3.1208 116.879 2.6222 5.877388       4.076233 
1 1 1 21 32 9  o 108.157 2.3079 119.456  3.4549  109.473 3.6162 106.842 2.8686 2.631187       4.615767 
1 1 1 21 32 11 o 52.914  3.4472 28.908   2.4973  57.001  5.3768 48.827  4.3153 8.173267       6.894382 
1 1 1 21 32 13 f 20.720  5.5314 4.1296   2.2303  24.384  8.5047 17.056  7.0749 7.328547       11.06273 
1 1 1 21 32 15 o 32.572  5.6271 12.098   2.3396  36.496  9.2550 28.648  6.4031 7.848476       11.25416 
1 1 1 21 32 17 o 35.539  5.8733 15.209   2.6248  35.304  10.362 35.773  5.5330 -0.4695358     11.74662 
1 1 1 21 32 19 o 26.202  5.6617 8.6729   2.3263  23.127  9.5460 29.277  6.0902 -6.149715      11.32333 
1 1 1 21 32 21 o 21.174  5.9697 5.0229   2.6574  20.018  8.0100 22.331  8.8536 -2.313059      11.93931 
1 1 1 21 32 23 o 25.291  6.3001 9.3222   2.8094  24.825  8.8935 25.757  8.9259 -0.9312649     12.60023 
1 1 1 21 32 25 o 22.560  6.0723 7.3283   2.8036  19.878  8.4496 25.243  8.7233 -5.365536      12.14462 
1 1 1 21 33 0  o 44.291  5.7787 21.326   4.9803  44.291  5.7787 ?       ?      0.000000       0.000000 
1 1 1 21 33 2  o 40.196  4.4103 17.797   2.4196  45.199  5.6506 35.193  6.7731 10.00594       8.820632 
1 1 1 21 33 4  o 41.849  4.4300 19.158   2.6116  44.704  6.1416 38.994  6.3860 5.710381       8.860064 
1 1 1 21 33 6  o 28.679  6.0128 9.8576   2.5848  33.197  9.0049 24.160  7.9703 9.037485       12.02551 
1 1 1 21 33 8  o 19.531  5.7253 2.8219   2.5416  19.990  8.5684 19.073  7.5960 0.9173946      11.45058 
1 1 1 21 33 10 o 47.469  4.3164 24.235   2.7016  49.954  7.1579 44.984  4.8260 4.969772       8.632814 
1 1 1 21 33 12 o 30.838  6.0637 11.916   2.6921  31.714  9.2801 29.961  7.8072 1.753036       12.12738 
1 1 1 21 33 14 o 23.238  6.0373 6.3004   2.4463  24.448  9.5576 22.029  7.3790 2.418344       12.07466 
1 1 1 21 33 16 o 18.614  5.7671 1.8122   2.6172  21.209  9.2177 16.019  6.9335 5.189724       11.53430 
1 1 1 21 33 18 o 27.868  6.2679 10.223   2.5728  27.147  10.655 28.589  6.6047 -1.442165      12.53580 
1 1 1 21 33 20 o 31.770  6.2579 13.586   2.5952  33.323  10.681 30.218  6.5245 3.105062       12.51579 
1 1 1 21 33 22 f 20.111  5.6581 5.0778   2.4246  18.840  7.7652 21.382  8.2314 -2.541473      11.31616 
1 1 1 21 34 1  o 51.622  3.6335 28.680   2.6494  50.647  5.2949 52.596  4.9773 -1.949203      7.267000 
1 1 1 21 34 3  o 32.969  5.3480 13.325   2.5761  25.717  8.8323 40.220  6.0326 -14.50276      10.69592 
1 1 1 21 34 5  o 29.682  6.0019 10.973   2.6186  31.888  8.8846 27.475  8.0719 4.412706       12.00383 
1 1 1 21 34 7  o 61.849  3.3901 40.942   2.8872  61.591  5.3908 62.107  4.1123 -0.5163574     6.780234 
1 1 1 21 34 9  o 51.238  4.9365 30.860   3.1516  47.539  8.6468 54.936  4.7653 -7.396423      9.872930 
1 1 1 21 34 11 o 27.492  6.2363 9.6117   2.5971  30.596  9.7953 24.388  7.7213 6.207291       12.47265 
1 1 1 21 34 13 o 20.831  5.6840 4.2090   2.2067  26.048  9.2932 15.615  6.5474 10.43275       11.36804 
1 1 1 21 34 15 o 20.520  5.7259 4.7034   2.3650  21.804  8.7762 19.236  7.3569 2.567459       11.45185 
1 1 1 21 34 17 o 17.961  5.3405 2.3903   2.0684  22.637  8.8919 13.285  5.9175 9.352008       10.68098 
1 1 1 21 34 19 o 35.197  5.4130 18.292   2.5642  25.214  9.9000 45.180  4.3810 -19.96688      10.82600 
1 1 1 21 34 21 o 33.052  5.9403 16.050   2.4782  28.540  10.958 37.563  4.5895 -9.022642      11.88052 
1 1 1 21 35 0  o 22.044  10.601 8.4283   5.3634  22.044  10.601 ?       ?      0.000000       0.000000 
1 1 1 21 35 2  o 22.297  6.1233 5.3677   2.8238  25.777  9.2835 18.817  7.9873 6.959955       12.24668 
1 1 1 21 35 4  o 27.844  6.0570 10.210   2.6402  26.304  8.9365 29.384  8.1787 -3.080532      12.11408 
1 1 1 21 35 6  o 18.725  5.7091 2.0897   2.6643  19.332  8.6513 18.119  7.4518 1.212551       11.41817 
1 1 1 21 35 8  o 21.049  6.1605 2.9297   3.2880  16.709  7.8358 25.389  9.5083 -8.679832      12.32107 
1 1 1 21 35 10 o 26.811  6.3349 9.8910   3.0184  23.313  9.7671 30.309  8.0701 -6.996096      12.66978 
1 1 1 21 35 12 o 24.458  6.1476 8.2405   2.5480  25.419  9.6491 23.498  7.6201 1.921320       12.29519 
1 1 1 21 35 14 o 20.119  5.9790 4.0545   2.8235  19.963  9.2013 20.275  7.6376 -0.3122139     11.95810 
1 1 1 21 35 16 o 24.018  6.2068 8.6176   2.7742  26.155  9.0303 21.881  8.5176 4.273777       12.41354 
1 1 1 21 36 1  o 52.844  3.9073 31.680   2.8880  52.182  5.9957 53.506  5.0120 -1.324306      7.814661 
1 1 1 21 36 3  o 57.930  3.6688 37.672   3.0010  56.056  5.3535 59.803  5.0181 -3.747513      7.337669 
1 1 1 21 36 5  o 26.004  6.5390 9.9607   3.1287  29.411  9.4187 22.596  9.0733 6.814856       13.07810 
1 1 1 21 36 7  o 23.301  6.5286 7.4067   3.0648  26.599  10.217 20.003  8.1304 6.595938       13.05717 
1 1 1 21 36 9  o 20.055  5.9644 4.3924   2.8768  19.880  8.6365 20.231  8.2285 -0.3506203     11.92887 
1 1 1 21 36 11 o 19.880  5.9002 4.1883   2.7191  19.759  9.1689 20.002  7.4285 -0.2429810     11.80049 
1 1 1 21 36 13 o 24.472  6.3235 9.3039   2.9710  22.332  9.5762 26.611  8.2607 -4.278952      12.64691 
1 1 1 21 37 0  o 19.346  11.670 8.1729   8.0452  19.346  11.670 ?       ?      0.000000       0.000000 
1 1 1 21 37 2  o 17.497  5.6616 0.7574   3.1331  17.730  8.3204 17.263  7.6802 0.4663773      11.32318 
1 1 1 21 37 4  o 20.719  6.4112 4.6913   3.2933  21.192  10.179 20.247  7.7972 0.9451466      12.82236 
1 1 1 21 37 6  o 19.189  6.0408 3.4938   3.1516  20.737  9.2755 17.642  7.7416 3.095533       12.08169 
1 1 1 21 37 8  o 34.618  5.5348 16.721   2.6682  30.267  9.2618 38.968  6.0625 -8.700932      11.06960 
1 1 1 22 1  1  o 286.002 2.2340 818.477  9.0338  286.696 3.1180 285.309 3.2003 1.387543       4.468032 
1 1 1 22 1  3  o 327.277 2.4209 1071.46  11.201  331.282 3.4500 323.272 3.3972 8.009644       4.841859 
1 1 1 22 1  5  o 322.087 2.3208 1038.09  10.559  322.022 3.3708 322.153 3.1910 -0.1304016     4.641609 
1 1 1 22 1  7  o 272.341 2.0476 742.170  7.8854  273.971 2.8666 270.711 2.9247 3.260071       4.095253 
1 1 1 22 1  9  o 299.102 2.1812 895.231  9.2263  298.323 3.0820 299.880 3.0873 -1.556915      4.362413 
1 1 1 22 1  11 o 276.469 2.1312 764.168  8.3177  280.271 3.0983 272.667 2.9271 7.604309       4.262342 
1 1 1 22 1  13 o 257.670 2.0248 664.623  7.3746  252.133 2.9123 263.208 2.8140 -11.07491      4.049682 
1 1 1 22 1  15 o 138.628 1.6456 192.367  3.2241  140.425 2.2735 136.831 2.3798 3.594131       3.291254 
1 1 1 22 1  17 o 84.953  1.7637 72.526   2.1051  81.381  2.6676 88.525  2.3081 -7.143410      3.527501 
1 1 1 22 1  19 o 85.734  1.5847 73.402   1.8964  84.845  2.0319 86.622  2.4325 -1.777000      3.169466 
1 1 1 22 1  21 o 109.610 1.5046 119.719  2.3091  106.879 1.9715 112.341 2.2734 -5.462555      3.009182 
1 1 1 22 1  23 o 72.321  1.6232 52.357   1.6601  71.880  2.3096 72.762  2.2815 -0.8828812     3.246475 
1 1 1 22 1  25 o 116.021 1.4786 134.649  2.4246  113.740 2.0771 118.302 2.1049 -4.561989      2.957189 
1 1 1 22 1  27 o 92.005  1.7492 84.421   2.2303  90.425  2.1890 93.585  2.7291 -3.159958      3.498499 
1 1 1 22 1  29 o 71.479  1.8326 51.199   1.8495  71.305  2.5073 71.652  2.6734 -0.3461533     3.665139 
1 1 1 22 1  31 o 85.931  1.8675 73.959   2.2555  85.057  2.4772 86.805  2.7951 -1.747772      3.734911 
1 1 1 22 1  33 o 95.419  1.7270 91.282   2.3301  94.486  2.4328 96.352  2.4519 -1.866486      3.454012 
1 1 1 22 1  35 o 60.070  2.6360 36.387   2.2183  59.431  3.4379 60.708  3.9967 -1.276787      5.271903 
1 1 1 22 1  37 o 18.344  5.3183 1.0234   2.2968  16.195  7.2065 20.494  7.8231 -4.299232      10.63653 
1 1 1 22 1  39 o 36.309  4.8745 14.334   2.4112  38.470  5.8091 34.149  7.8292 4.321625       9.748907 
1 1 1 22 1  41 o 17.284  5.0413 1.4047   1.9865  14.737  6.4328 19.831  7.7640 -5.094406      10.08267 
1 1 1 22 1  43 o 16.435  4.9563 1.0236   1.9500  14.285  6.2172 18.584  7.7204 -4.299198      9.912559 
1 1 1 22 1  45 o 14.467  4.5246 -0.0807  1.8057  13.738  6.0846 15.196  6.6981 -1.457910      9.049153 
1 1 1 22 1  47 o 15.970  4.8811 0.8209   1.8973  11.713  5.4398 20.228  8.1062 -8.515618      9.762269 
1 1 1 22 2  0  o 167.092 2.3703 279.410  7.9175  167.092 2.3703 ?       ?      0.000000       0.000000 
1 1 1 22 2  2  o 218.122 1.9767 475.904  6.0962  219.598 2.8204 216.645 2.7704 2.953506       3.953438 
1 1 1 22 2  4  o 286.470 2.2241 820.481  8.9739  288.611 3.2964 284.328 2.9867 4.282562       4.448221 
1 1 1 22 2  6  o 428.047 2.9006 1832.90  17.536  422.970 4.0004 433.125 4.2014 -10.15442      5.801282 
1 1 1 22 2  8  o 223.892 1.9473 501.562  6.1535  223.996 2.6510 223.788 2.8532 0.2083282      3.894642 
1 1 1 22 2  10 o 197.008 1.8793 388.338  5.2357  197.689 2.6485 196.327 2.6668 1.361237       3.758521 
1 1 1 22 2  12 o 110.775 1.8552 122.761  2.9020  111.090 2.7014 110.460 2.5434 0.6297073      3.710301 
1 1 1 22 2  14 o 51.197  2.2231 25.663   1.5043  53.804  3.6789 48.590  2.4967 5.213734       4.446100 
1 1 1 22 2  16 o 256.863 2.0842 660.614  7.5629  254.932 3.0306 258.795 2.8620 -3.862473      4.168369 
1 1 1 22 2  18 o 77.616  1.5113 59.415   1.6208  73.221  1.9185 82.011  2.3357 -8.790306      3.022563 
1 1 1 22 2  20 o 80.516  1.5986 64.879   1.8192  80.754  2.2139 80.277  2.3066 0.4777374      3.197142 
1 1 1 22 2  22 o 83.997  1.5604 70.513   1.8429  83.090  2.0748 84.905  2.3313 -1.815384      3.120851 
1 1 1 22 2  24 o 44.973  2.2254 20.368   1.4047  41.779  3.3623 48.168  2.9163 -6.388855      4.450799 
1 1 1 22 2  26 o 79.319  1.8760 62.625   1.9921  78.093  2.1258 80.545  3.0916 -2.451912      3.751966 
1 1 1 22 2  28 o 60.718  2.1910 36.724   1.8701  57.104  3.0190 64.332  3.1760 -7.228298      4.381969 
1 1 1 22 2  30 o 120.833 1.6811 145.920  2.8605  117.812 2.2763 123.855 2.4745 -6.042641      3.362247 
1 1 1 22 2  32 o 70.953  2.1002 50.146   2.0761  68.154  2.7169 73.751  3.2033 -5.597862      4.200301 
1 1 1 22 2  34 o 16.142  4.8972 -0.2953  2.0352  15.303  6.8562 16.981  6.9945 -1.678127      9.794404 
1 1 1 22 2  36 o 79.466  2.3700 63.809   2.6309  78.763  3.6480 80.169  3.0265 -1.405586      4.739996 
1 1 1 22 2  38 o 41.433  3.1138 17.576   1.8147  40.999  4.6721 41.868  4.1176 -0.8692741     6.227654 
1 1 1 22 2  40 o 18.541  5.0739 2.8030   1.8964  18.813  6.9435 18.269  7.4003 0.5442486      10.14777 
1 1 1 22 2  42 o 23.662  5.4269 6.3340   2.0354  22.322  7.1169 25.001  8.1948 -2.678188      10.85385 
1 1 1 22 2  44 o 19.547  5.1879 3.8268   1.9218  17.640  6.8370 21.454  7.8047 -3.813190      10.37579 
1 1 1 22 2  46 o 21.163  5.2867 5.3634   1.9794  21.345  7.4830 20.982  7.4701 0.3631229      10.57341 
1 1 1 22 2  48 o 20.339  5.1443 4.8732   1.9279  15.146  6.3912 25.532  8.0627 -10.38634      10.28858 
1 1 1 22 3  1  o 308.018 2.6319 949.493  11.454  307.848 3.6297 308.188 3.8121 -0.3398743     5.263710 
1 1 1 22 3  3  o 258.822 2.2652 670.330  8.2241  258.908 2.9594 258.736 3.4302 0.1713867      4.530374 
1 1 1 22 3  5  o 259.421 2.3678 672.773  8.6607  256.489 3.2113 262.352 3.4803 -5.863403      4.735508 
1 1 1 22 3  7  o 253.699 2.0288 643.951  7.2784  251.272 2.8714 256.127 2.8669 -4.854813      4.057586 
1 1 1 22 3  9  o 306.710 2.3999 941.423  10.401  305.947 3.3183 307.474 3.4679 -1.527374      4.799765 
1 1 1 22 3  11 o 187.915 1.8550 352.803  4.8759  189.502 2.8303 186.328 2.3987 3.174561       3.710045 
1 1 1 22 3  13 o 187.012 1.8473 349.968  4.8827  187.065 2.5600 186.958 2.6639 0.1072693      3.694539 
1 1 1 22 3  15 o 121.863 1.5434 148.618  2.6309  122.052 1.9879 121.675 2.3614 0.3767624      3.086788 
1 1 1 22 3  17 o 144.101 1.5752 207.402  3.1465  143.046 1.9640 145.156 2.4633 -2.109314      3.150415 
1 1 1 22 3  19 o 104.867 1.5738 109.315  2.2951  108.055 2.4227 101.678 2.0095 6.377045       3.147625 
1 1 1 22 3  21 o 67.711  1.5998 45.462   1.5085  64.700  2.0724 70.722  2.4376 -6.022797      3.199551 
1 1 1 22 3  23 o 123.111 1.5671 151.682  2.6832  123.020 1.9723 123.202 2.4358 -0.1827164     3.134186 
1 1 1 22 3  25 o 146.358 1.6914 214.238  3.4304  145.703 2.1035 147.013 2.6493 -1.310135      3.382843 
1 1 1 22 3  27 o 41.510  2.9401 17.311   1.7216  41.747  3.9766 41.273  4.3317 0.4742661      5.880164 
1 1 1 22 3  29 o 83.148  2.0388 69.265   2.3837  83.823  3.0469 82.473  2.7097 1.350098       4.077523 
1 1 1 22 3  31 o 42.318  2.8763 17.821   1.7027  46.282  4.1388 38.354  3.9954 7.928299       5.752633 
1 1 1 22 3  33 o 37.099  5.1346 14.249   2.1822  36.877  9.3361 37.321  4.2771 -0.4435692     10.26923 
1 1 1 22 3  35 o 96.859  1.9431 94.876   2.5618  95.003  3.1588 98.716  2.2638 -3.713226      3.886269 
1 1 1 22 3  37 o 83.133  1.9402 69.946   2.2626  79.958  2.9546 86.308  2.5153 -6.350151      3.880308 
1 1 1 22 3  39 o 47.770  2.9291 23.287   1.9711  49.035  4.2971 46.505  3.9816 2.529751       5.858164 
1 1 1 22 3  41 o 15.275  4.6114 0.2809   1.6857  12.081  5.4590 18.469  7.4336 -6.387836      9.222732 
1 1 1 22 3  43 o 40.299  3.6389 17.603   2.0253  42.008  4.4079 38.590  5.7910 3.417358       7.277763 
1 1 1 22 3  45 o 18.427  5.1312 3.0137   1.9921  19.189  6.8403 17.666  7.6503 1.522886       10.26240 
1 1 1 22 3  47 o 14.815  4.5824 0.5584   1.8398  15.054  6.3056 14.576  6.6508 0.4774055      9.164845 
1 1 1 22 4  0  o 258.940 2.9599 670.941  15.324  258.940 2.9599 ?       ?      0.000000       0.000000 
1 1 1 22 4  2  o 190.620 1.8950 363.272  5.1009  192.661 2.7507 188.580 2.6071 4.080185       3.789927 
1 1 1 22 4  4  o 49.825  1.8969 24.768   1.2459  50.140  3.1836 49.509  2.0635 0.6310234      3.793816 
1 1 1 22 4  6  f 209.184 2.0057 438.004  5.8563  208.700 3.0900 209.667 2.5581 -0.9673462     4.011487 
1 1 1 22 4  8  o 173.606 1.8910 301.216  4.5919  174.720 2.8870 172.493 2.4431 2.226959       3.781991 
1 1 1 22 4  10 o 133.620 1.7149 176.962  3.0380  136.593 2.8515 130.647 1.9060 5.945862       3.429833 
1 1 1 22 4  12 o 300.251 2.8304 903.399  11.703  301.010 3.4364 299.492 4.4984 1.518219       5.660782 
1 1 1 22 4  14 o 139.354 1.5892 194.336  3.1235  139.700 2.1482 139.007 2.3426 0.6932220      3.178416 
1 1 1 22 4  16 o 264.020 2.2173 697.745  8.2478  263.984 2.9750 264.055 3.2886 -0.7043457E-01 4.434585 
1 1 1 22 4  18 o 203.412 1.8870 413.909  5.4205  201.848 2.5939 204.975 2.7412 -3.126968      3.773943 
1 1 1 22 4  20 o 98.967  1.6419 97.812   2.2915  96.584  2.2477 101.351 2.3940 -4.766174      3.283792 
1 1 1 22 4  22 o 85.127  1.7775 72.540   2.1385  82.840  2.5435 87.413  2.4835 -4.572586      3.554912 
1 1 1 22 4  24 o 114.791 1.6130 131.909  2.6163  114.899 2.3340 114.683 2.2270 0.2163086      3.226007 
1 1 1 22 4  26 o 62.175  1.9961 38.628   1.7507  64.069  2.8901 60.281  2.7540 3.788498       3.992114 
1 1 1 22 4  28 o 108.012 2.3086 115.452  3.2968  111.393 3.8404 104.632 2.5630 6.761223       4.617137 
1 1 1 22 4  30 o 49.037  3.1753 25.033   2.0993  42.506  5.2576 55.569  3.5620 -13.06336      6.350569 
1 1 1 22 4  32 o 132.477 1.7544 175.447  3.2731  128.526 2.3846 136.427 2.5741 -7.900864      3.508880 
1 1 1 22 4  34 o 69.409  2.3497 48.370   2.2702  68.451  2.9849 70.367  3.6296 -1.916023      4.699304 
1 1 1 22 4  36 o 77.178  2.1899 59.417   2.3599  72.622  2.9014 81.734  3.2810 -9.111938      4.379857 
1 1 1 22 4  38 o 63.617  2.5423 41.258   2.2447  64.818  3.1522 62.415  3.9897 2.402763       5.084675 
1 1 1 22 4  40 o 16.224  4.8494 0.2311   2.0108  18.514  7.2909 13.933  6.3960 4.580710       9.698791 
1 1 1 22 4  42 o 22.378  4.9494 4.6673   1.9279  14.703  6.3044 30.054  7.6315 -15.35013      9.898753 
1 1 1 22 4  44 o 29.742  4.8706 10.386   1.9865  28.957  6.3476 30.528  7.3892 -1.571003      9.741265 
1 1 1 22 4  46 o 20.538  5.4482 4.8812   2.1004  18.770  7.1339 22.306  8.2364 -3.535833      10.89640 
1 1 1 22 4  48 o 21.740  4.9618 6.0305   2.0585  26.664  6.5126 16.816  7.4877 9.847982       9.923695 
1 1 1 22 5  1  f 285.923 2.1634 817.981  8.7470  282.697 3.0717 289.148 3.0474 -6.451233      4.326870 
1 1 1 22 5  3  o 160.352 1.6065 256.810  3.6216  162.319 2.3995 158.384 2.1366 3.934402       3.212921 
1 1 1 22 5  5  o 73.529  1.4228 54.023   1.4436  73.830  2.2486 73.228  1.7439 0.6025085      2.845546 
1 1 1 22 5  7  o 120.765 1.5047 145.651  2.5141  121.579 2.3633 119.951 1.8631 1.628922       3.009344 
1 1 1 22 5  9  o 137.069 1.8767 187.347  3.6216  141.326 2.7560 132.812 2.5480 8.513702       3.753359 
1 1 1 22 5  11 o 187.075 1.8591 349.008  4.6880  185.338 2.1359 188.812 3.0435 -3.473724      3.718244 
1 1 1 22 5  13 o 368.710 2.7600 1362.07  14.039  369.276 3.3717 368.144 4.3707 1.132538       5.520051 
1 1 1 22 5  15 o 145.687 1.5576 211.922  3.1465  144.424 1.9453 146.949 2.4332 -2.525024      3.115232 
1 1 1 22 5  17 o 94.684  1.4987 89.253   1.9052  93.445  1.7082 95.922  2.4629 -2.477440      2.997324 
1 1 1 22 5  19 o 89.813  1.4831 80.397   1.8701  87.365  1.9733 92.261  2.2146 -4.896538      2.966200 
1 1 1 22 5  21 o 126.567 1.5446 159.856  2.6921  125.243 1.8863 127.891 2.4464 -2.648018      3.089146 
1 1 1 22 5  23 o 57.077  1.9381 32.621   1.5637  57.354  2.7831 56.799  2.6980 0.5558090      3.876204 
1 1 1 22 5  25 f 16.889  4.6439 1.3480   1.6648  15.457  6.8104 18.320  6.3151 -2.862868      9.287762 
1 1 1 22 5  27 o 137.974 1.9788 188.970  3.7023  134.185 2.3316 141.764 3.1978 -7.579086      3.957604 
1 1 1 22 5  29 o 121.349 1.6757 147.538  2.8676  121.176 2.2658 121.522 2.4695 -0.3462830     3.351420 
1 1 1 22 5  31 o 109.129 1.9283 119.207  2.9412  110.614 2.9439 107.644 2.4913 2.969643       3.856564 
1 1 1 22 5  33 o 12.849  4.1497 -1.9892  1.6208  11.559  5.3051 14.139  6.3825 -2.579112      8.299428 
1 1 1 22 5  35 o 65.329  2.1425 42.971   1.9794  64.987  3.0458 65.671  3.0140 -0.6841431     4.285004 
1 1 1 22 5  37 o 17.886  4.7823 2.5540   1.6503  17.523  6.5305 18.249  6.9882 -0.7265453     9.564681 
1 1 1 22 5  39 o 46.585  3.0852 22.419   1.9865  47.421  3.7701 45.749  4.8848 1.671616       6.170467 
1 1 1 22 5  41 o 22.949  5.2860 5.9026   1.9865  24.099  7.0033 21.799  7.9198 2.300488       10.57209 
1 1 1 22 5  43 o 21.361  5.5354 4.6528   2.0987  17.325  6.8101 25.397  8.7284 -8.072500      11.07076 
1 1 1 22 5  45 o 15.737  4.8895 0.3792   2.0157  13.339  6.0365 18.136  7.6934 -4.797132      9.778953 
1 1 1 22 5  47 o 17.720  5.0841 3.0731   1.9279  15.467  6.4516 19.972  7.8595 -4.504437      10.16829 
1 1 1 22 6  0  o 163.811 2.3398 268.555  7.6621  163.811 2.3398 ?       ?      0.000000       0.000000 
1 1 1 22 6  2  o 241.188 2.1067 582.054  7.1819  235.128 3.0143 247.249 2.9440 -12.12079      4.213415 
1 1 1 22 6  4  o 256.507 2.1987 659.849  7.9339  251.346 3.3024 261.668 2.9038 -10.32109      4.397490 
1 1 1 22 6  6  o 90.017  2.0534 80.644   2.3083  89.181  2.0047 90.853  3.5842 -1.671082      4.106770 
1 1 1 22 6  8  o 91.358  1.4746 82.993   1.8181  89.826  1.7060 92.890  2.4058 -3.063438      2.949289 
1 1 1 22 6  10 o 145.915 2.1293 210.840  4.0524  142.640 2.2829 149.191 3.5950 -6.551926      4.258621 
1 1 1 22 6  12 o 307.972 2.3323 951.727  9.9974  311.560 2.9306 304.384 3.6290 7.175537       4.664570 
1 1 1 22 6  14 o 216.134 1.8291 468.464  5.5080  218.540 2.3081 213.728 2.8381 4.812454       3.658171 
1 1 1 22 6  16 o 116.016 1.5169 135.396  2.4247  118.499 1.8320 113.533 2.4183 4.966148       3.033876 
1 1 1 22 6  18 o 312.246 2.3826 971.039  10.165  306.706 2.8521 317.786 3.8175 -11.08093      4.765285 
1 1 1 22 6  20 o 77.272  2.6873 59.570   2.9149  74.890  3.5809 79.655  4.0080 -4.764648      5.374613 
1 1 1 22 6  22 o 85.410  2.3531 73.089   2.8381  85.741  3.4256 85.080  3.2270 0.6603394      4.706209 
1 1 1 22 6  24 o 80.330  1.7705 64.609   2.0108  80.013  2.4738 80.646  2.5336 -0.6324539     3.540982 
1 1 1 22 6  26 o 117.550 1.6837 138.324  2.7331  117.433 2.0661 117.666 2.6589 -0.2324600     3.367324 
1 1 1 22 6  28 o 137.883 1.7717 190.369  3.4290  137.117 2.3283 138.648 2.6710 -1.530914      3.543364 
1 1 1 22 6  30 o 61.681  2.4546 38.165   2.1271  62.537  3.6756 60.824  3.2542 1.713154       4.909172 
1 1 1 22 6  32 o 113.454 1.6520 129.036  2.6494  110.925 2.3600 115.984 2.3122 -5.058228      3.303902 
1 1 1 22 6  34 o 84.147  1.8241 70.904   2.1634  79.315  2.5761 88.979  2.5833 -9.664650      3.648250 
1 1 1 22 6  36 o 75.928  2.2909 58.132   2.4479  74.967  3.0662 76.888  3.4048 -1.920822      4.581892 
1 1 1 22 6  38 o 15.627  4.6526 0.5828   1.7553  15.248  6.5402 16.007  6.6189 -0.7587748     9.305099 
1 1 1 22 6  40 o 15.838  4.6491 0.9956   1.7145  17.688  7.0245 13.987  6.0922 3.700907       9.298247 
1 1 1 22 6  42 o 28.085  4.7735 9.1425   1.8701  29.824  5.9913 26.347  7.4330 3.477623       9.546976 
1 1 1 22 6  44 o 33.687  4.4441 13.437   1.9279  38.311  4.3333 29.064  7.7604 9.247341       8.888230 
1 1 1 22 6  46 o 23.467  5.4714 7.0893   2.1540  19.490  7.3851 27.444  8.0748 -7.953444      10.94273 
1 1 1 22 7  1  o 481.751 3.0927 2323.96  21.069  483.945 4.3935 479.557 4.3538 4.387970       6.185369 
1 1 1 22 7  3  o 390.988 2.8693 1528.50  15.635  388.319 3.6503 393.658 4.4280 -5.339111      5.738630 
1 1 1 22 7  5  o 248.930 2.5515 622.891  8.8356  254.172 3.1904 243.688 3.9827 10.48412       5.102934 
1 1 1 22 7  7  o 58.056  1.1350 33.753   0.9159  58.387  1.4216 57.725  1.7698 0.6624107      2.270076 
1 1 1 22 7  9  o 167.094 1.6702 279.335  3.7902  167.089 1.9489 167.100 2.7130 -0.1127625E-01 3.340422 
1 1 1 22 7  11 o 210.735 1.8362 444.383  5.3364  210.723 2.2422 210.747 2.9085 -0.2355957E-01 3.672498 
1 1 1 22 7  13 o 407.474 2.9433 1661.60  16.423  406.168 3.5213 408.780 4.7172 -2.611603      5.886541 
1 1 1 22 7  15 o 132.039 1.7696 174.889  3.2731  129.882 2.7038 134.197 2.2838 -4.315399      3.539287 
1 1 1 22 7  17 o 97.245  1.7546 93.927   2.3225  99.497  2.8236 94.992  2.0837 4.504929       3.509222 
1 1 1 22 7  19 o 111.493 1.4585 124.388  2.2968  111.609 2.0023 111.377 2.1212 0.2327499      2.916938 
1 1 1 22 7  21 o 48.827  1.9848 23.728   1.2648  48.189  2.1200 49.464  3.3562 -1.275066      3.969664 
1 1 1 22 7  23 o 50.301  2.0267 25.378   1.4303  50.751  2.6420 49.851  3.0740 0.9003258      4.053354 
1 1 1 22 7  25 o 70.761  1.8515 49.883   1.8318  68.696  2.4166 72.826  2.8056 -4.129639      3.702913 
1 1 1 22 7  27 o 18.603  4.8668 2.6697   1.5902  16.121  5.9708 21.085  7.6872 -4.963272      9.733651 
1 1 1 22 7  29 o 82.863  1.7735 68.860   2.0707  83.257  2.3774 82.468  2.6324 0.7891083      3.547073 
1 1 1 22 7  31 o 47.233  2.8201 22.473   1.8830  47.362  4.0444 47.103  3.9311 0.2584534      5.640100 
1 1 1 22 7  33 o 113.524 1.9319 128.778  3.0569  110.573 2.4830 116.475 2.9602 -5.902092      3.863726 
1 1 1 22 7  35 o 98.323  1.9639 97.550   2.6952  99.867  2.4935 96.778  3.0349 3.088806       3.927852 
1 1 1 22 7  37 o 57.781  2.5033 33.905   2.0432  59.383  3.4407 56.178  3.6370 3.204647       5.006657 
1 1 1 22 7  39 o 70.513  2.4021 50.799   2.3906  70.123  3.2780 70.904  3.5120 -0.7806854     4.804113 
1 1 1 22 7  41 f 39.356  3.6747 16.449   2.0352  39.688  5.4700 39.025  4.9084 0.6623955      7.349389 
1 1 1 22 7  43 o 19.090  5.1820 3.0319   2.0993  16.296  7.1520 21.883  7.5009 -5.586617      10.36409 
1 1 1 22 7  45 o 20.282  5.6498 4.1407   2.2412  19.906  6.8649 20.659  8.9751 -0.7529812     11.29957 
1 1 1 22 7  47 o 15.812  4.8443 0.6903   2.1469  17.528  7.0043 14.096  6.6939 3.432013       9.688599 
1 1 1 22 8  0  o 302.680 6.6521 919.063  40.226  302.680 6.6521 ?       ?      0.000000       0.000000 
1 1 1 22 8  2  o 392.241 5.0703 1524.49  21.817  386.391 3.9990 398.090 9.3188 -11.69885      10.14059 
1 1 1 22 8  4  o 200.568 2.1766 400.907  6.0886  204.818 3.3357 196.319 2.7970 8.498306       4.353165 
1 1 1 22 8  6  o 206.316 2.3501 423.181  6.2103  203.641 2.4143 208.991 4.0328 -5.350159      4.700279 
1 1 1 22 8  8  o 302.319 2.7347 915.594  11.679  300.061 3.9792 304.578 3.7525 -4.517090      5.469479 
1 1 1 22 8  10 o 208.324 2.1781 434.405  6.4168  206.731 3.0886 209.917 3.0721 -3.185532      4.356285 
1 1 1 22 8  12 o 234.948 2.3745 552.132  7.8637  237.189 3.4996 232.706 3.2103 4.482956       4.748966 
1 1 1 22 8  14 o 186.064 1.8231 347.577  4.7086  188.908 2.2646 183.220 2.8576 5.687561       3.646138 
1 1 1 22 8  16 o 170.032 1.6315 288.913  3.8279  169.164 2.0005 170.900 2.5779 -1.736191      3.263063 
1 1 1 22 8  18 o 109.813 1.4901 120.305  2.2543  108.601 1.8226 111.025 2.3579 -2.423744      2.980206 
1 1 1 22 8  20 o 200.413 1.6626 402.549  4.6667  202.036 2.1490 198.790 2.5375 3.246552       3.325209 
1 1 1 22 8  22 o 163.526 1.6372 268.087  3.7401  164.850 2.0916 162.203 2.5193 2.646805       3.274390 
1 1 1 22 8  24 o 64.724  1.8173 41.906   1.6503  64.287  2.3837 65.162  2.7437 -0.8747025     3.634522 
1 1 1 22 8  26 o 78.088  1.6948 61.389   1.8318  79.859  2.0788 76.318  2.6772 3.541008       3.389551 
1 1 1 22 8  28 f 208.258 2.1576 435.382  6.0691  208.624 2.4790 207.893 3.5320 0.7311249      4.315180 
1 1 1 22 8  30 o 18.770  4.6494 2.8684   1.6208  21.087  6.2335 16.452  6.9002 4.634935       9.298874 
1 1 1 22 8  32 o 145.550 1.8093 213.186  3.6857  148.390 2.3236 142.710 2.7740 5.680588       3.618542 
1 1 1 22 8  34 o 62.836  1.9398 39.668   1.7216  61.833  2.6848 63.839  2.8005 -2.006268      3.879560 
1 1 1 22 8  36 o 70.739  2.2419 50.559   2.2183  70.712  2.8895 70.766  3.4287 -0.5315399E-01 4.483837 
1 1 1 22 8  38 o 52.323  2.9192 27.772   2.0585  50.986  3.3812 53.659  4.7597 -2.672798      5.838442 
1 1 1 22 8  40 o 18.442  5.3503 2.0006   2.2348  18.743  7.2187 18.142  7.8990 0.6015720      10.70061 
1 1 1 22 8  42 o 31.007  4.5173 11.048   1.9134  31.253  6.1438 30.761  6.6241 0.4911842      9.034599 
1 1 1 22 8  44 o 29.927  5.4066 11.174   2.2986  30.418  7.5762 29.436  7.7153 0.9827251      10.81319 
1 1 1 22 8  46 o 25.343  5.3984 8.6358   2.2827  30.203  7.0901 20.484  8.1425 9.719456       10.79671 
1 1 1 22 9  1  o 215.609 3.0468 465.596  9.2901  215.697 4.3219 215.522 4.2958 0.1753540      6.093629 
1 1 1 22 9  3  o 147.281 2.3219 214.777  3.7133  145.401 1.8004 149.161 4.2807 -3.759750      4.643878 
1 1 1 22 9  5  o 156.460 2.3527 243.618  4.2664  155.245 2.0153 157.674 4.2520 -2.428818      4.705416 
1 1 1 22 9  7  o 291.857 2.9169 854.958  10.131  292.889 2.5942 290.826 5.2253 2.063141       5.833813 
1 1 1 22 9  9  o 375.180 3.5512 1413.08  16.553  376.267 3.4109 374.093 6.2298 2.174194       7.102458 
1 1 1 22 9  11 o 353.133 2.6404 1246.28  12.748  350.849 3.1484 355.417 4.2397 -4.568512      5.280876 
1 1 1 22 9  13 o 313.204 2.4003 982.420  10.348  313.580 2.9117 312.829 3.8168 0.7507324      4.800635 
1 1 1 22 9  15 f 258.550 2.1178 669.642  7.5083  259.170 2.5376 257.930 3.3914 1.239441       4.235684 
1 1 1 22 9  17 o 235.342 2.0084 553.785  6.4406  234.460 2.3693 236.224 3.2436 -1.764297      4.016722 
1 1 1 22 9  19 o 33.149  3.3990 12.328   1.3364  39.926  2.8786 26.373  6.1584 13.55293       6.797933 
1 1 1 22 9  21 o 104.489 1.4803 109.661  2.1540  106.391 1.8605 102.586 2.3029 3.804916       2.960524 
1 1 1 22 9  23 o 80.257  1.6503 64.269   1.7966  79.476  1.9281 81.037  2.6789 -1.561279      3.300651 
1 1 1 22 9  25 f 136.499 1.6065 186.794  2.9996  137.086 1.9096 135.912 2.5839 1.174454       3.212960 
1 1 1 22 9  27 o 86.450  2.0117 74.980   2.4578  85.561  2.9104 87.340  2.7780 -1.779068      4.023414 
1 1 1 22 9  29 o 122.288 1.9395 148.578  3.0946  119.798 2.0786 124.777 3.2750 -4.978752      3.878950 
1 1 1 22 9  31 o 129.296 2.1685 167.618  3.9330  127.860 2.8464 130.733 3.2723 -2.872498      4.337080 
1 1 1 22 9  33 o 82.042  2.1971 68.268   2.4099  83.699  2.4411 80.385  3.6538 3.313385       4.394251 
1 1 1 22 9  35 o 20.941  5.4229 3.7033   2.0987  21.702  6.9957 20.180  8.2879 1.521879       10.84575 
1 1 1 22 9  37 o 24.299  5.1068 6.3656   1.8571  23.048  6.7649 25.549  7.6520 -2.500555      10.21360 
1 1 1 22 9  39 o 26.746  5.1544 8.2347   2.0253  29.017  6.5380 24.474  7.9703 4.543398       10.30877 
1 1 1 22 9  41 o 16.049  4.7429 1.1471   1.8057  16.315  6.5851 15.783  6.8277 0.5316916      9.485880 
1 1 1 22 9  43 o 24.564  5.3254 7.2790   2.1071  28.244  7.3794 20.883  7.6800 7.361164       10.65071 
1 1 1 22 9  45 f 51.954  5.7733 34.870   2.4981  58.659  2.8301 45.250  11.194 13.40824       11.54665 
1 1 1 22 9  47 o 24.238  5.1176 8.0499   2.2843  30.157  5.9278 18.319  8.3438 11.83801       10.23512 
1 1 1 22 10 0  o 211.645 4.2879 448.869  18.134  211.645 4.2879 ?       ?      0.000000       0.000000 
1 1 1 22 10 2  o 221.353 3.2327 489.691  10.076  226.473 4.7647 216.233 4.3702 10.24019       6.465376 
1 1 1 22 10 4  o 117.541 2.1958 134.613  2.7569  113.890 1.6819 121.192 4.0568 -7.302284      4.391615 
1 1 1 22 10 6  o 73.827  2.0221 52.445   1.7559  69.740  1.8311 77.913  3.6058 -8.172630      4.044127 
1 1 1 22 10 8  o 289.685 2.8999 843.696  10.304  291.564 2.7155 287.806 5.1248 3.758423       5.799788 
1 1 1 22 10 10 o 246.205 2.5364 600.454  7.1336  242.760 2.1305 249.650 4.6037 -6.889893      5.072736 
1 1 1 22 10 12 o 440.953 4.6530 1944.36  21.564  439.360 3.4152 442.547 8.6568 -3.186768      9.306077 
1 1 1 22 10 14 o 344.531 3.1470 1200.36  12.939  349.362 2.7963 339.701 5.6388 9.660645       6.294086 
1 1 1 22 10 16 o 259.833 2.5846 677.725  8.6198  260.988 2.6422 258.678 4.4430 2.310333       5.169296 
1 1 1 22 10 18 o 152.529 2.0415 231.698  3.8810  151.141 1.9855 153.916 3.5676 -2.775024      4.082917 
1 1 1 22 10 20 o 66.902  2.3016 45.665   1.8437  68.802  2.0417 65.001  4.1257 3.800941       4.603198 
1 1 1 22 10 22 o 104.462 2.0399 111.022  2.5798  107.108 1.8480 101.815 3.6373 5.292793       4.079830 
1 1 1 22 10 24 o 55.685  2.8885 32.082   2.0013  58.775  2.7159 52.595  5.0988 6.179337       5.777002 
1 1 1 22 10 26 o 143.622 1.7776 207.578  3.4399  145.363 2.0205 141.882 2.9252 3.481476       3.555166 
1 1 1 22 10 28 o 116.081 2.0524 134.553  3.0946  114.965 2.1660 117.197 3.4868 -2.232605      4.104808 
1 1 1 22 10 30 o 84.887  1.9594 72.630   2.3091  86.683  2.4308 83.091  3.0738 3.591698       3.918750 
1 1 1 22 10 32 o 114.067 1.8233 130.755  2.9316  113.513 2.7000 114.621 2.4510 -1.108078      3.646566 
1 1 1 22 10 34 o 23.346  4.5213 5.8317   1.6125  27.063  5.6146 19.629  7.0883 7.433632       9.042572 
1 1 1 22 10 36 o 13.858  4.4293 -1.9867  1.8590  13.924  6.0154 13.792  6.5031 0.1319180      8.858584 
1 1 1 22 10 38 o 15.518  4.8056 -0.2849  1.9646  15.155  6.3241 15.882  7.2376 -0.7267370     9.611273 
1 1 1 22 10 40 o 17.008  5.0913 0.6557   2.0813  13.397  6.0919 20.618  8.1593 -7.220874      10.18257 
1 1 1 22 10 42 o 34.016  4.7783 13.425   2.1246  36.212  4.9370 31.819  8.1827 4.393091       9.556669 
1 1 1 22 10 44 o 21.229  5.4476 5.1682   2.1691  22.813  7.2398 19.644  8.1418 3.169016       10.89516 
1 1 1 22 10 46 o 21.997  5.6187 6.5731   2.2520  22.959  7.2345 21.035  8.5988 1.923788       11.23735 
1 1 1 22 11 1  o 92.749  2.7725 85.533   3.5991  88.703  3.6711 96.795  4.1558 -8.092384      5.545021 
1 1 1 22 11 3  o 114.855 2.6029 131.985  4.1793  114.286 3.3521 115.425 3.9829 -1.138275      5.205785 
1 1 1 22 11 5  f 233.418 2.6553 538.509  7.7240  228.235 2.6017 238.601 4.6295 -10.36667      5.310525 
1 1 1 22 11 7  o 263.126 2.7284 692.056  9.4400  262.046 2.9483 264.207 4.5917 -2.160828      5.456758 
1 1 1 22 11 9  o 258.265 2.5841 670.482  8.3828  260.146 2.5280 256.384 4.5077 3.762360       5.168184 
1 1 1 22 11 11 o 154.617 2.2004 236.228  3.6486  152.303 1.6769 156.930 4.0687 -4.627670      4.400743 
1 1 1 22 11 13 o 200.455 2.2145 402.080  5.2351  200.357 1.9440 200.554 3.9796 -0.1973724     4.429051 
1 1 1 22 11 15 o 83.378  2.1623 67.930   1.8637  81.161  1.5734 85.595  4.0282 -4.433891      4.324572 
1 1 1 22 11 17 o 105.342 1.8654 110.679  2.2675  104.836 1.5835 105.848 3.3781 -1.012688      3.730806 
1 1 1 22 11 19 o 74.561  2.3828 56.717   1.8346  76.121  1.6776 73.002  4.4607 3.118431       4.765694 
1 1 1 22 11 21 o 100.152 1.9612 99.251   2.3263  98.419  1.7517 101.886 3.5094 -3.467056      3.922312 
1 1 1 22 11 23 o 119.298 2.0767 141.102  2.8770  117.611 1.7916 120.984 3.7471 -3.373428      4.153348 
1 1 1 22 11 25 o 136.573 2.0189 184.911  3.3202  134.300 1.8542 138.846 3.5870 -4.545349      4.037851 
1 1 1 22 11 27 o 27.774  4.8234 8.0996   1.7166  29.575  4.3179 25.973  8.6264 3.602133       9.646719 
1 1 1 22 11 29 o 148.176 2.1107 220.232  3.8810  148.063 2.0268 148.290 3.7030 -0.2272339     4.221382 
1 1 1 22 11 31 o 76.320  2.4825 58.407   2.3774  75.840  2.4415 76.799  4.3232 -0.9593887     4.965027 
1 1 1 22 11 33 o 74.866  2.4548 57.663   2.2754  77.556  2.3052 72.175  4.3348 5.380600       4.909636 
1 1 1 22 11 35 o 31.879  5.0273 11.539   2.0523  36.223  4.4067 27.536  9.0374 8.687641       10.05458 
1 1 1 22 11 37 o 44.334  3.6402 20.210   1.9988  43.603  3.5145 45.065  6.3759 -1.461960      7.280325 
1 1 1 22 11 39 o 29.408  4.9595 10.229   1.9670  33.670  4.5512 25.146  8.8133 8.524214       9.919065 
1 1 1 22 11 41 o 27.195  5.4423 8.9732   2.1655  28.842  6.3690 25.548  8.8267 3.294096       10.88465 
1 1 1 22 11 43 o 19.398  5.5500 3.4922   2.3225  18.998  7.3336 19.797  8.3323 -0.7990952     11.09997 
1 1 1 22 11 45 o 18.485  5.1596 3.1476   2.1655  20.622  7.1229 16.348  7.4667 4.274031       10.31930 
1 1 1 22 12 0  o 357.632 6.2709 1282.76  44.823  357.632 6.2709 ?       ?      0.000000       0.000000 
1 1 1 22 12 2  o 378.368 4.3314 1432.60  23.049  368.806 5.8171 387.930 6.4191 -19.12381      8.662769 
1 1 1 22 12 4  o 197.042 2.8414 388.415  7.8989  199.975 4.1508 194.109 3.8815 5.866501       5.682888 
1 1 1 22 12 6  o 157.651 2.3779 249.330  4.5390  158.209 2.1793 157.093 4.2271 1.115936       4.755809 
1 1 1 22 12 8  o 126.707 2.0597 161.586  3.3829  128.219 2.1413 125.196 3.5190 3.022240       4.119316 
1 1 1 22 12 10 o 253.716 2.6327 628.843  7.5712  245.570 2.2101 261.863 4.7791 -16.29303      5.265388 
1 1 1 22 12 12 o 293.767 2.8363 860.120  9.7126  291.714 2.4515 295.820 5.1155 -4.105530      5.672532 
1 1 1 22 12 14 o 116.882 2.0099 136.821  2.5327  116.983 1.5283 116.781 3.7179 0.2023849      4.019773 
1 1 1 22 12 16 o 150.131 1.9677 224.308  3.5613  148.765 1.8027 151.497 3.4982 -2.731277      3.935308 
1 1 1 22 12 18 o 249.872 2.4538 622.892  7.5691  248.036 2.3426 251.708 4.3124 -3.672012      4.907553 
1 1 1 22 12 20 o 209.417 2.9550 438.380  6.3217  208.765 2.0798 210.070 5.5319 -1.304718      5.909908 
1 1 1 22 12 22 o 102.470 1.7956 104.805  2.3439  101.854 1.8180 103.086 3.0969 -1.232468      3.591109 
1 1 1 22 12 24 o 69.333  2.6502 47.127   2.0598  67.280  2.1828 71.386  4.8300 -4.105919      5.300324 
1 1 1 22 12 26 o 97.133  2.0344 92.565   2.3397  94.080  1.8325 100.186 3.6327 -6.106491      4.068721 
1 1 1 22 12 28 o 82.672  2.1268 68.814   2.3188  83.244  2.3011 82.099  3.5775 1.145340       4.253664 
1 1 1 22 12 30 f 89.813  2.2053 82.355   2.5297  92.723  2.2036 86.903  3.8206 5.820145       4.410549 
1 1 1 22 12 32 o 127.763 1.9452 164.479  3.3297  128.567 2.1852 126.960 3.2187 1.606590       3.890353 
1 1 1 22 12 34 o 80.851  2.3752 66.729   2.3774  82.361  2.2482 79.342  4.1847 3.019020       4.750399 
1 1 1 22 12 36 o 38.608  4.1849 15.803   2.0013  39.179  4.0742 38.036  7.3113 1.143059       8.369820 
1 1 1 22 12 38 o 25.693  5.2837 6.8463   2.0013  18.480  6.6954 32.905  8.1758 -14.42488      10.56750 
1 1 1 22 12 40 o 16.245  4.8891 0.0737   2.0684  17.237  6.6025 15.253  7.2126 1.983874       9.778287 
1 1 1 22 12 42 o 19.856  4.2935 2.7669   1.8729  26.198  5.5333 13.513  6.5666 12.68501       8.587084 
1 1 1 22 12 44 o 13.234  4.5151 -4.7432  2.4081  11.257  5.5176 15.211  7.1484 -3.954558      9.030175 
1 1 1 22 13 1  o 303.794 3.9927 926.302  17.141  307.327 5.5057 300.260 5.7841 7.066559       7.985484 
1 1 1 22 13 3  o 294.071 3.7539 867.280  15.611  294.065 5.2763 294.077 5.3412 -0.1129150E-01 7.507819 
1 1 1 22 13 5  o 397.918 3.6456 1575.54  18.812  391.741 3.8466 404.095 6.1939 -12.35406      7.291178 
1 1 1 22 13 7  o 364.569 3.2582 1333.21  16.038  365.434 3.7391 363.703 5.3369 1.731628       6.516418 
1 1 1 22 13 9  o 156.270 2.0633 242.884  3.7421  154.914 1.7723 157.626 3.7267 -2.711472      4.126677 
1 1 1 22 13 11 o 83.809  2.2858 67.809   1.7613  80.928  1.4202 86.691  4.3455 -5.763573      4.571688 
1 1 1 22 13 13 o 143.311 1.9176 206.118  3.2492  143.891 1.6862 142.730 3.4446 1.160721       3.835176 
1 1 1 22 13 15 o 154.526 2.1384 238.097  3.7192  153.703 1.7447 155.349 3.9046 -1.646011      4.276713 
1 1 1 22 13 17 o 136.175 2.0798 182.362  3.1438  133.096 1.6791 139.253 3.8057 -6.156860      4.159651 
1 1 1 22 13 19 o 240.179 2.3984 581.573  7.0577  242.610 2.2370 237.749 4.2433 4.861053       4.796860 
1 1 1 22 13 21 o 226.147 2.2179 513.945  6.2424  227.326 2.1347 224.967 3.8884 2.359436       4.435769 
1 1 1 22 13 23 o 241.648 2.2791 581.301  6.9088  238.517 2.2487 244.779 3.9649 -6.262146      4.558179 
1 1 1 22 13 25 o 111.682 2.0721 125.963  2.7805  112.930 1.8658 110.434 3.7003 2.495773       4.144114 
1 1 1 22 13 27 o 84.899  2.3332 73.189   2.4978  86.620  2.2851 83.177  4.0685 3.443275       4.666314 
1 1 1 22 13 29 o 73.607  2.3946 56.006   2.1377  77.052  2.1545 70.161  4.2773 6.891731       4.789269 
1 1 1 22 13 31 o 87.325  2.0602 77.138   2.4099  88.662  2.3045 85.988  3.4157 2.674728       4.120439 
1 1 1 22 13 33 o 88.573  2.1425 79.598   2.5182  89.948  2.3425 87.198  3.5880 2.749557       4.284992 
1 1 1 22 13 35 o 40.746  4.4615 17.665   2.0572  41.617  3.6822 39.875  8.1279 1.741043       8.923049 
1 1 1 22 13 37 o 17.221  5.3483 -0.0766  2.0841  12.029  5.5290 22.413  9.1567 -10.38410      10.69655 
1 1 1 22 13 39 o 31.411  5.4841 10.429   2.2135  23.413  6.7307 39.408  8.6603 -15.99524      10.96825 
1 1 1 22 13 41 o 19.390  5.6036 3.1411   2.1560  17.295  6.6090 21.485  9.0511 -4.189688      11.20721 
1 1 1 22 13 43 o 19.029  5.2587 2.7831   2.0789  13.348  6.0386 24.711  8.6111 -11.36307      10.51744 
1 1 1 22 13 45 o 15.616  4.8910 0.6070   2.2024  17.332  7.3109 13.899  6.4992 3.432281       9.782078 
1 1 1 22 14 0  o 469.773 6.4044 2213.18  60.147  469.773 6.4044 ?       ?      0.000000       0.000000 
1 1 1 22 14 2  o 343.559 3.9949 1184.43  19.407  340.072 5.6327 347.046 5.6667 -6.973663      7.989868 
1 1 1 22 14 4  o 118.213 2.0590 141.701  3.0623  121.050 2.0044 115.376 3.5972 5.674171       4.117928 
1 1 1 22 14 6  o 91.352  2.3794 82.891   2.4135  90.454  1.9059 92.250  4.3605 -1.796509      4.758827 
1 1 1 22 14 8  o 194.455 2.3348 377.274  5.8821  193.026 2.4478 195.884 3.9767 -2.857880      4.669694 
1 1 1 22 14 10 o 119.173 2.3028 138.811  2.6737  116.272 1.5376 122.075 4.3413 -5.803215      4.605515 
1 1 1 22 14 12 o 73.910  2.6570 49.677   1.5518  68.074  1.4069 79.746  5.1243 -11.67142      5.313946 
1 1 1 22 14 14 o 208.430 2.2164 437.370  5.5609  210.120 2.0056 206.740 3.9532 3.379974       4.432845 
1 1 1 22 14 16 o 77.071  1.9820 60.067   1.8437  78.266  1.7948 75.875  3.5344 2.390404       3.963976 
1 1 1 22 14 18 o 50.013  2.7996 25.069   1.5853  50.002  2.2985 50.023  5.1057 -0.2097321E-01 5.599191 
1 1 1 22 14 20 o 103.123 1.9881 102.481  2.3280  97.962  1.6946 108.284 3.5969 -10.32193      3.976120 
1 1 1 22 14 22 o 48.052  4.2373 25.101   1.9308  51.731  2.5920 44.373  8.0684 7.358089       8.474544 
1 1 1 22 14 24 o 41.895  3.2064 17.231   1.7618  39.538  3.5528 44.252  5.3387 -4.713768      6.412834 
1 1 1 22 14 26 o 27.537  4.9355 7.5176   1.7962  22.830  6.0532 32.244  7.7972 -9.413054      9.871074 
1 1 1 22 14 28 o 46.553  3.0981 21.232   1.9454  42.739  3.7349 50.367  4.9440 -7.628429      6.196242 
1 1 1 22 14 30 o 53.216  3.7770 29.402   2.3694  54.914  3.2556 51.519  6.8165 3.395855       7.554085 
1 1 1 22 14 32 o 49.486  3.2001 25.037   2.1469  50.086  3.6969 48.886  5.2244 1.200439       6.400163 
1 1 1 22 14 34 o 47.914  2.8731 23.417   1.7618  48.084  2.9214 47.743  4.9483 0.3407364      5.746267 
1 1 1 22 14 36 o 18.362  5.2685 2.2624   1.9670  16.614  6.4445 20.109  8.3365 -3.495707      10.53706 
1 1 1 22 14 38 o 20.835  5.0898 4.1531   1.9670  23.519  6.3620 18.150  7.9468 5.368484       10.17969 
1 1 1 22 14 40 f 44.028  4.0646 20.579   2.2921  41.929  4.2639 46.127  6.9212 -4.198326      8.129172 
1 1 1 22 14 42 o 34.364  4.4816 14.159   2.0113  39.426  4.5346 29.301  7.7316 10.12473       8.963246 
1 1 1 22 14 44 o 14.393  4.6094 -0.2169  1.9986  13.688  6.2175 15.099  6.8065 -1.411084      9.218791 
1 1 1 22 15 1  o 127.865 3.0724 163.814  5.5484  126.852 4.2281 128.878 4.4589 -2.025848      6.144814 
1 1 1 22 15 3  o 162.794 2.6687 265.949  6.1237  159.529 3.9624 166.059 3.5759 -6.529709      5.337391 
1 1 1 22 15 5  o 129.100 2.2397 163.422  3.3412  125.450 1.9341 132.750 4.0403 -7.300140      4.479331 
1 1 1 22 15 7  o 177.747 2.3133 312.449  5.1816  173.794 2.3146 181.699 4.0061 -7.904053      4.626629 
1 1 1 22 15 9  o 140.150 2.0905 192.967  3.2407  136.889 1.6792 143.411 3.8290 -6.521454      4.180970 
1 1 1 22 15 11 o 37.869  4.0327 14.832   1.2040  38.640  1.9829 37.097  7.8179 1.543346       8.065425 
1 1 1 22 15 13 o 31.644  4.0844 10.186   1.2369  31.741  2.6151 31.548  7.7389 0.1922798      8.168824 
1 1 1 22 15 15 o 154.584 2.0024 239.051  3.6748  154.355 1.7787 154.813 3.5882 -0.4573059     4.004884 
1 1 1 22 15 17 o 123.739 1.9867 154.451  2.8507  125.038 1.6851 122.439 3.5983 2.598351       3.973303 
1 1 1 22 15 19 o 122.141 2.0916 150.676  3.2663  124.083 2.1098 120.199 3.6122 3.884514       4.183200 
1 1 1 22 15 21 o 119.655 1.5734 143.570  2.6309  120.471 2.0140 118.839 2.4178 1.632797       3.146742 
1 1 1 22 15 23 o 152.266 1.8521 231.102  3.8557  149.393 2.2225 155.138 2.9633 -5.744202      3.704139 
1 1 1 22 15 25 o 94.902  1.6641 89.564   2.2056  90.725  2.1817 99.079  2.5133 -8.353500      3.328165 
1 1 1 22 15 27 o 80.098  1.9742 64.800   2.1654  81.929  2.3380 78.266  3.1817 3.662521       3.948324 
1 1 1 22 15 29 o 53.258  2.1992 28.232   1.6380  49.226  2.9833 57.290  3.2321 -8.064289      4.398487 
1 1 1 22 15 31 o 15.116  4.5643 -0.1440  1.7507  17.043  6.9242 13.190  5.9488 3.852782       9.128674 
1 1 1 22 15 33 o 39.015  3.3050 15.666   1.7787  45.407  4.2185 32.623  5.0888 12.78453       6.610023 
1 1 1 22 15 35 o 24.944  5.0688 7.0275   1.8978  27.818  5.4742 22.069  8.5326 5.748531       10.13768 
1 1 1 22 15 37 f 28.332  4.6312 9.0600   1.7744  28.007  5.6696 28.656  7.3245 -0.6493111     9.262381 
1 1 1 22 15 39 o 41.422  3.6360 18.385   2.0587  41.345  4.3241 41.498  5.8468 -0.1529503     7.272027 
1 1 1 22 15 41 o 30.075  5.3909 11.223   2.2702  28.704  7.1391 31.446  8.0797 -2.741234      10.78185 
1 1 1 22 15 43 o 21.179  5.6538 5.5629   2.2776  18.085  7.2355 24.272  8.6897 -6.187717      11.30765 
1 1 1 22 16 0  f 200.887 3.8809 404.429  15.580  200.887 3.8809 ?       ?      0.000000       0.000000 
1 1 1 22 16 2  o 273.175 3.2752 747.434  12.588  276.324 4.8756 270.027 4.3745 6.297333       6.550403 
1 1 1 22 16 4  o 152.065 2.0745 231.293  3.8968  151.864 1.9761 152.266 3.6482 -0.4015503     4.149029 
1 1 1 22 16 6  f 120.547 2.2957 146.966  3.3466  122.454 2.0857 118.640 4.0902 3.814262       4.591300 
1 1 1 22 16 8  o 139.022 2.0246 191.439  3.3481  136.833 1.8199 141.211 3.6173 -4.378693      4.049296 
1 1 1 22 16 10 o 136.785 2.0837 184.904  3.0255  134.724 1.5640 138.845 3.8629 -4.121796      4.167488 
1 1 1 22 16 12 o 63.219  3.5925 43.887   2.0736  68.987  2.0362 57.452  6.8905 11.53474       7.185047 
1 1 1 22 16 14 o 83.108  1.6237 69.257   1.8398  83.545  1.9107 82.672  2.6259 0.8731308      3.247493 
1 1 1 22 16 16 o 98.242  1.4749 96.690   2.0352  98.930  1.9362 97.554  2.2253 1.375687       2.949763 
1 1 1 22 16 18 o 112.966 1.7098 128.403  2.6072  114.520 1.9514 111.412 2.8082 3.107124       3.419649 
1 1 1 22 16 20 o 93.923  1.6766 88.867   2.1802  96.218  2.0572 91.628  2.6480 4.590073       3.353193 
1 1 1 22 16 22 o 69.308  1.9668 48.411   1.9134  72.355  2.5591 66.261  2.9872 6.093941       3.933532 
1 1 1 22 16 24 o 94.878  1.7705 90.257   2.3349  94.773  2.2233 94.983  2.7562 -0.2092438     3.541090 
1 1 1 22 16 26 o 43.122  2.9842 18.608   1.8057  46.939  4.2169 39.304  4.2238 7.635380       5.968434 
1 1 1 22 16 28 o 34.831  4.2075 12.961   1.9050  37.719  4.4013 31.944  7.1723 5.775475       8.415066 
1 1 1 22 16 30 o 37.281  3.4457 14.353   1.7787  35.084  5.4597 39.477  4.2052 -4.392963      6.891493 
1 1 1 22 16 32 o 19.410  5.4486 2.2024   2.0598  18.999  6.4611 19.821  8.7751 -0.8219948     10.89712 
1 1 1 22 16 34 o 28.827  4.7880 9.3180   1.9427  24.523  7.1276 33.132  6.3952 -8.608721      9.576056 
1 1 1 22 16 36 o 32.041  5.0082 11.851   2.1454  34.677  5.1557 29.405  8.5876 5.271629       10.01642 
1 1 1 22 16 38 f 48.958  3.1421 25.373   2.1690  49.888  4.2236 48.028  4.6531 1.860100       6.284122 
1 1 1 22 16 40 o 21.401  5.2117 4.1656   2.2626  14.641  6.6723 28.161  8.0080 -13.52032      10.42340 
1 1 1 22 16 42 o 24.584  6.1038 8.4283   2.5834  25.252  7.5295 23.916  9.6089 1.335587       12.20759 
1 1 1 22 17 1  o 123.239 3.3724 152.516  5.8735  121.679 4.8801 124.798 4.6558 -3.118736      6.744809 
1 1 1 22 17 3  o 129.593 2.4422 165.098  3.3242  126.862 1.8119 132.323 4.5358 -5.461418      4.884320 
1 1 1 22 17 5  o 230.093 2.5104 530.495  7.5031  230.061 2.6366 230.125 4.2729 -0.6465149E-01 5.020874 
1 1 1 22 17 7  o 194.493 2.1075 377.427  5.0200  193.326 1.9816 195.660 3.7202 -2.334564      4.215070 
1 1 1 22 17 9  o 197.113 1.8222 387.642  4.8412  195.153 2.0940 199.074 2.9829 -3.920700      3.644468 
1 1 1 22 17 11 o 177.759 1.8395 314.855  4.4026  175.346 2.1120 180.171 3.0123 -4.825211      3.678927 
1 1 1 22 17 13 o 138.994 1.5533 192.853  2.9761  137.565 1.9030 140.422 2.4554 -2.857269      3.106510 
1 1 1 22 17 15 o 154.444 1.5568 238.396  3.3407  153.305 1.9575 155.583 2.4213 -2.277847      3.113631 
1 1 1 22 17 17 o 157.958 1.5613 249.099  3.4444  155.433 2.0129 160.484 2.3872 -5.050369      3.122544 
1 1 1 22 17 19 o 91.087  1.6668 83.210   2.1271  91.661  2.1594 90.513  2.5395 1.147957       3.333541 
1 1 1 22 17 21 o 99.782  1.6638 100.247  2.3196  102.613 2.1156 96.952  2.5685 5.660789       3.327603 
1 1 1 22 17 23 o 60.089  2.1084 36.308   1.7855  61.054  2.8237 59.124  3.1319 1.930603       4.216818 
1 1 1 22 17 25 o 20.561  4.6434 3.6431   1.6866  15.146  6.3225 25.975  6.8024 -10.82944      9.286868 
1 1 1 22 17 27 o 79.986  2.0902 64.425   2.3625  78.110  3.0245 81.862  2.8859 -3.751862      4.180450 
1 1 1 22 17 29 o 23.665  4.9692 5.9518   1.7787  23.415  7.3542 23.915  6.6848 -0.5000210     9.938377 
1 1 1 22 17 31 o 34.792  4.1108 12.706   1.9711  31.793  6.0423 37.792  5.5754 -5.999041      8.221630 
1 1 1 22 17 33 o 39.938  3.0101 16.510   1.6866  39.066  4.5764 40.810  3.9114 -1.744328      6.020181 
1 1 1 22 17 35 o 41.333  3.6092 18.079   2.1051  39.243  5.2065 43.422  4.9996 -4.178043      7.218310 
1 1 1 22 17 37 o 17.580  4.9461 2.2816   1.9070  19.229  7.0741 15.931  6.9148 3.298362       9.892285 
1 1 1 22 17 39 o 18.685  5.4196 2.2373   2.3906  15.460  6.9846 21.910  8.2889 -6.450521      10.83927 
1 1 1 22 17 41 o 17.570  5.1960 2.1381   2.2275  14.630  6.6420 20.510  7.9923 -5.880345      10.39201 
1 1 1 22 17 43 o 15.435  4.8327 0.9194   2.0354  17.520  7.5166 13.350  6.0761 4.169953       9.665333 
1 1 1 22 18 0  o 376.327 3.4449 1418.25  25.923  376.327 3.4449 ?       ?      0.000000       0.000000 
1 1 1 22 18 2  o 236.089 2.6407 557.670  7.7989  235.317 2.5777 236.861 4.6096 -1.544022      5.281412 
1 1 1 22 18 4  f 126.759 2.2904 160.009  3.2181  125.845 1.8265 127.672 4.2009 -1.827156      4.580852 
1 1 1 22 18 6  o 150.879 1.6804 228.345  3.5711  153.996 2.2390 147.762 2.5063 6.233536       3.360713 
1 1 1 22 18 8  o 166.875 1.6541 279.587  3.8036  168.717 2.0058 165.033 2.6309 3.682999       3.308271 
1 1 1 22 18 10 o 106.324 1.5703 113.766  2.2951  108.468 1.8837 104.179 2.5129 4.289757       3.140508 
1 1 1 22 18 12 o 156.336 1.5991 244.334  3.4549  155.499 1.9710 157.173 2.5187 -1.673843      3.198217 
1 1 1 22 18 14 o 230.934 1.9297 534.225  6.2619  230.714 2.5461 231.154 2.9004 -0.4410553     3.859375 
1 1 1 22 18 16 o 69.295  1.7588 48.049   1.7216  67.457  2.4610 71.133  2.5133 -3.675980      3.517560 
1 1 1 22 18 18 o 78.004  1.6847 60.865   1.8318  77.325  2.1469 78.683  2.5968 -1.358429      3.369340 
1 1 1 22 18 20 o 90.425  1.7758 81.930   2.2555  90.018  2.3407 90.832  2.6712 -0.8138962     3.551671 
1 1 1 22 18 22 o 109.294 1.7034 119.565  2.5789  108.512 2.1183 110.076 2.6683 -1.564087      3.406891 
1 1 1 22 18 24 o 58.354  2.3216 34.200   1.9134  56.122  3.2994 60.587  3.2670 -4.464989      4.643159 
1 1 1 22 18 26 o 128.133 2.0266 165.169  3.6689  127.979 2.7939 128.288 2.9365 -0.3081436     4.053274 
1 1 1 22 18 28 o 69.634  2.3994 48.506   2.3193  66.569  3.0693 72.699  3.6888 -6.129494      4.798735 
1 1 1 22 18 30 o 37.807  4.6111 14.959   2.3843  33.490  6.5244 42.123  6.5179 -8.633255      9.222293 
1 1 1 22 18 32 o 21.876  4.7329 5.0059   1.7507  17.484  6.9969 26.268  6.3753 -8.784361      9.465786 
1 1 1 22 18 34 o 27.864  4.9940 8.7774   2.0253  33.725  6.8648 22.003  7.2550 11.72168       9.987990 
1 1 1 22 18 36 o 29.887  5.2920 10.683   2.2275  30.854  7.6782 28.920  7.2845 1.934639       10.58395 
1 1 1 22 18 38 o 23.404  5.1601 6.5298   1.9070  26.019  7.4628 20.788  7.1284 5.230896       10.32029 
1 1 1 22 18 40 o 19.037  5.3112 3.8968   2.1051  19.032  7.4293 19.042  7.5921 -0.9891510E-02 10.62237 
1 1 1 22 18 42 o 17.643  5.0239 3.2749   1.9711  16.338  7.0557 18.948  7.1537 -2.610291      10.04779 
1 1 1 22 19 1  f 176.641 1.5466 312.340  3.8627  173.877 2.2033 179.405 2.1710 -5.527466      3.093178 
1 1 1 22 19 3  f 92.741  1.4139 85.335   1.8164  89.379  1.7860 96.104  2.1925 -6.725029      2.827832 
1 1 1 22 19 5  o 127.681 1.5973 163.376  2.6643  128.011 1.6959 127.352 2.7074 0.6594620      3.194692 
1 1 1 22 19 7  o 173.101 1.8496 298.769  4.3154  171.079 2.1274 175.123 3.0262 -4.044739      3.699139 
1 1 1 22 19 9  o 138.266 1.7282 191.004  3.2837  137.228 2.0938 139.304 2.7501 -2.076111      3.456458 
1 1 1 22 19 11 o 47.836  2.0430 22.867   1.3661  53.435  2.7483 42.236  3.0235 11.19899       4.085928 
1 1 1 22 19 13 o 36.706  2.8299 13.536   1.4686  37.227  3.9448 36.184  4.0586 1.043713       5.659862 
1 1 1 22 19 15 o 44.025  2.3580 19.422   1.4658  45.395  3.3757 42.654  3.2933 2.741039       4.716051 
1 1 1 22 19 17 o 99.998  1.5597 100.212  2.1987  100.357 2.0996 99.639  2.3069 0.7183151      3.119318 
1 1 1 22 19 19 o 51.596  2.2768 26.680   1.6503  52.505  3.4050 50.686  3.0234 1.819527       4.553540 
1 1 1 22 19 21 o 114.122 1.6030 130.342  2.5761  112.488 2.1570 115.755 2.3719 -3.267593      3.205972 
1 1 1 22 19 23 o 82.821  1.7172 68.796   2.0108  81.515  2.4282 84.128  2.4287 -2.612770      3.434362 
1 1 1 22 19 25 o 108.696 1.7709 118.661  2.6952  108.532 2.2944 108.860 2.6981 -0.3285370     3.541731 
1 1 1 22 19 27 o 29.903  4.9618 9.5776   2.2024  22.952  7.8556 36.855  6.0637 -13.90302      9.923661 
1 1 1 22 19 29 o 47.588  3.2744 23.110   2.1913  43.921  4.6521 51.256  4.6092 -7.335438      6.548742 
1 1 1 22 19 31 o 35.537  5.3896 14.728   2.2986  39.456  4.3693 31.617  9.8540 7.838453       10.77929 
1 1 1 22 19 33 o 30.132  4.8290 10.313   2.0067  31.016  6.9647 29.249  6.6911 1.767111       9.658046 
1 1 1 22 19 35 o 38.284  3.9203 15.963   2.1071  40.952  5.1452 35.615  5.9162 5.337067       7.840593 
1 1 1 22 19 37 o 22.694  5.3465 5.8933   2.1385  26.906  7.6846 18.482  7.4357 8.424858       10.69308 
1 1 1 22 19 39 o 17.043  5.0181 2.1608   2.0108  16.287  6.9303 17.798  7.2593 -1.511444      10.03626 
1 1 1 22 19 41 o 14.114  4.5696 -0.8107  2.0761  13.969  6.5618 14.259  6.3616 -0.2903538     9.139296 
1 1 1 22 20 0  o 209.477 2.5613 439.291  10.727  209.477 2.5613 ?       ?      0.000000       0.000000 
1 1 1 22 20 2  o 200.353 1.8911 401.502  5.1696  199.601 2.2392 201.105 3.0480 -1.504486      3.782106 
1 1 1 22 20 4  o 209.682 2.1254 439.816  5.9559  208.920 2.3839 210.445 3.5195 -1.525284      4.250852 
1 1 1 22 20 6  o 203.952 1.8813 416.516  5.2350  203.828 2.2241 204.075 3.0349 -0.2462616     3.762634 
1 1 1 22 20 8  o 50.370  1.7715 25.344   1.2050  50.003  2.0431 50.736  2.8945 -0.7329865     3.542920 
1 1 1 22 20 10 o 110.773 1.6094 123.395  2.4492  112.493 1.9298 109.053 2.5762 3.440865       3.218855 
1 1 1 22 20 12 o 82.652  1.6595 68.686   1.8815  83.753  1.9822 81.551  2.6620 2.201965       3.318954 
1 1 1 22 20 14 o 92.476  1.6407 85.716   2.1271  92.697  2.1353 92.256  2.4916 0.4412384      3.281380 
1 1 1 22 20 16 o 35.990  2.8801 12.881   1.4436  38.176  4.3486 33.804  3.7777 4.372089       5.760274 
1 1 1 22 20 18 o 68.506  2.0761 47.118   2.0108  68.324  2.8970 68.688  2.9746 -0.3639908     4.152244 
1 1 1 22 20 20 o 31.434  3.9210 10.199   1.6866  27.160  6.0357 35.708  5.0067 -8.548483      7.841975 
1 1 1 22 20 22 o 46.874  2.7596 22.229   1.8192  50.204  3.6883 43.544  4.1058 6.659595       5.519132 
1 1 1 22 20 24 o 70.343  2.0546 49.803   2.0432  71.432  2.8603 69.254  2.9503 2.178474       4.109255 
1 1 1 22 20 26 o 72.225  2.2528 52.703   2.2968  71.543  3.3022 72.908  3.0652 -1.365044      4.505526 
1 1 1 22 20 28 o 24.266  5.4035 6.3104   2.0746  25.379  7.6623 23.153  7.6210 2.226013       10.80698 
1 1 1 22 20 30 o 20.329  5.1098 4.1305   1.8318  20.933  7.5759 19.724  6.8589 1.209341       10.21952 
1 1 1 22 20 32 o 52.026  2.7414 27.946   1.9986  51.917  3.5666 52.135  4.1641 -0.2181206     5.482706 
1 1 1 22 20 34 o 54.044  2.6366 30.344   2.0067  54.438  3.5187 53.650  3.9274 0.7876511      5.273148 
1 1 1 22 20 36 o 41.749  3.6230 18.898   2.1385  41.648  5.0592 41.849  5.1875 -0.2007828     7.246072 
1 1 1 22 20 38 o 18.315  5.2367 2.5540   2.1987  21.562  8.0057 15.069  6.7529 6.492489       10.47344 
1 1 1 22 20 40 o 17.074  5.2010 0.6385   2.5666  20.346  7.9792 13.803  6.6733 6.542704       10.40192 
1 1 1 22 21 1  o 54.155  1.6256 29.355   1.2443  54.743  2.3327 53.568  2.2647 1.175262       3.251246 
1 1 1 22 21 3  o 56.776  2.0293 32.321   1.6276  57.341  2.7838 56.212  2.9533 1.129395       4.058527 
1 1 1 22 21 5  o 76.583  1.5778 58.461   1.6432  75.517  1.8601 77.650  2.5491 -2.132767      3.155624 
1 1 1 22 21 7  o 140.768 1.5664 198.549  3.0569  141.108 1.9457 140.427 2.4553 0.6813660      3.132797 
1 1 1 22 21 9  f 91.819  1.6026 84.192   2.0511  90.411  2.0481 93.228  2.4656 -2.817093      3.205262 
1 1 1 22 21 11 o 102.460 1.6625 104.682  2.3429  100.683 2.0294 104.238 2.6340 -3.554733      3.325055 
1 1 1 22 21 13 f 139.028 1.6837 193.464  3.2359  138.332 2.0771 139.725 2.6504 -1.393051      3.367361 
1 1 1 22 21 15 o 76.963  1.8297 59.630   1.9711  78.844  2.3485 75.081  2.8064 3.762856       3.659410 
1 1 1 22 21 17 o 33.531  3.2646 11.429   1.5324  36.292  4.2224 30.770  4.9802 5.522203       6.529242 
1 1 1 22 21 19 o 68.351  2.0504 46.739   1.9608  69.772  3.1114 66.930  2.6712 2.842300       4.100740 
1 1 1 22 21 21 o 50.844  2.6249 26.138   1.8830  49.517  3.8684 52.171  3.5492 -2.653584      5.249871 
1 1 1 22 21 23 o 24.348  5.1464 6.2573   1.9155  23.083  7.3675 25.612  7.1877 -2.528505      10.29284 
1 1 1 22 21 25 o 18.368  5.0861 1.7399   2.0412  15.639  6.9000 21.097  7.4742 -5.457541      10.17221 
1 1 1 22 21 27 o 29.927  4.8144 9.8573   2.0108  25.955  7.3138 33.900  6.2628 -7.944906      9.628838 
1 1 1 22 21 29 o 43.929  3.2013 20.037   1.9608  43.910  4.9440 43.948  4.0681 -0.3737640E-01 6.402513 
1 1 1 22 21 31 o 43.723  3.4924 20.263   2.1271  42.233  5.4427 45.214  4.3778 -2.980751      6.984872 
1 1 1 22 21 33 o 17.015  4.7208 1.3587   1.8841  14.182  6.6157 19.848  6.7361 -5.666394      9.441533 
1 1 1 22 21 35 o 22.212  5.3967 5.3109   2.1409  17.042  7.0027 27.383  8.2133 -10.34162      10.79333 
1 1 1 22 21 37 o 35.126  4.9819 14.749   2.3429  32.420  6.5315 37.832  7.5244 -5.411865      9.963766 
1 1 1 22 21 39 o 18.182  5.5165 2.9371   2.5540  17.299  7.6187 19.064  7.9803 -1.765011      11.03308 
1 1 1 22 22 0  o 55.982  2.4048 31.542   2.6817  55.982  2.4048 ?       ?      0.000000       0.000000 
1 1 1 22 22 2  o 79.126  1.6910 62.918   1.8787  77.223  2.5632 81.030  2.2063 -3.807854      3.382004 
1 1 1 22 22 4  f 141.568 1.6906 200.811  3.3829  141.540 2.4360 141.595 2.3449 -0.5566406E-01 3.381205 
1 1 1 22 22 6  o 227.115 1.9963 519.575  6.2952  231.942 2.4776 222.289 3.1309 9.652222       3.992625 
1 1 1 22 22 8  o 109.647 1.4870 120.379  2.2827  109.429 1.9255 109.865 2.2666 -0.4360580     2.974049 
1 1 1 22 22 10 o 34.643  2.6072 12.068   1.2770  35.104  3.6378 34.182  3.7359 0.9215546      5.214465 
1 1 1 22 22 12 o 83.080  1.7570 69.074   1.9933  82.576  2.0877 83.583  2.8265 -1.006599      3.513917 
1 1 1 22 22 14 o 138.519 1.7744 192.379  3.3900  138.387 2.1685 138.651 2.8091 -0.2638397     3.548763 
1 1 1 22 22 16 o 19.793  4.6417 3.7672   1.5324  18.355  6.5690 21.231  6.5598 -2.875580      9.283498 
1 1 1 22 22 18 o 22.383  4.6189 5.0442   1.6601  26.861  6.2855 17.906  6.7697 8.954546       9.237764 
1 1 1 22 22 20 f 13.779  4.2023 -0.5290  1.5324  14.467  5.8873 13.091  5.9982 1.376055       8.404675 
1 1 1 22 22 22 o 26.298  4.7643 7.4317   1.7855  28.181  6.6666 24.416  6.8081 3.765303       9.528571 
1 1 1 22 22 24 o 37.842  4.6015 14.933   2.3843  41.167  6.6693 34.517  6.3416 6.650383       9.203011 
1 1 1 22 22 26 o 79.064  2.1708 63.199   2.4196  79.943  3.1948 78.186  2.9399 1.756943       4.341678 
1 1 1 22 22 28 o 48.669  3.0601 24.493   2.0993  47.269  4.1875 50.069  4.4634 -2.799965      6.120223 
1 1 1 22 22 30 o 29.419  6.0291 10.462   2.9410  35.278  6.9440 23.560  9.8581 11.71837       12.05821 
1 1 1 22 22 32 o 17.464  4.9428 2.2986   1.8389  17.275  7.4130 17.652  6.5401 -0.3773842     9.885661 
1 1 1 22 22 34 o 20.059  5.3541 4.2534   2.0629  20.676  7.8434 19.441  7.2903 1.235403       10.70828 
1 1 1 22 22 36 o 38.237  4.4497 17.142   2.2123  35.764  7.5538 40.710  4.7053 -4.945145      8.899398 
1 1 1 22 22 38 o 35.448  4.8804 16.054   2.3556  30.703  8.0224 40.194  5.5600 -9.490507      9.760759 
1 1 1 22 23 1  o 57.657  1.8412 33.338   1.4998  57.322  2.6733 57.993  2.5323 -0.6707458     3.682320 
1 1 1 22 23 3  o 93.410  1.6637 87.896   2.1409  91.473  2.6525 95.347  2.0090 -3.873497      3.327430 
1 1 1 22 23 5  o 108.887 1.5380 118.363  2.3349  110.830 2.3621 106.945 1.9702 3.884872       3.075906 
1 1 1 22 23 7  o 185.566 1.9868 345.370  5.1801  185.109 2.6215 186.023 2.9862 -0.9149017     3.973608 
1 1 1 22 23 9  o 126.955 1.8124 161.347  3.1533  126.156 2.1763 127.755 2.8988 -1.598648      3.624821 
1 1 1 22 23 11 o 35.928  3.1112 13.025   1.5324  35.973  3.7274 35.882  4.9825 0.9166718E-01  6.222446 
1 1 1 22 23 13 o 115.537 1.6690 133.736  2.6832  115.181 2.1065 115.893 2.5894 -0.7117462     3.338061 
1 1 1 22 23 15 o 99.485  1.7334 99.464   2.4112  100.632 2.2207 98.338  2.6621 2.294052       3.466783 
1 1 1 22 23 17 o 64.624  2.3068 42.012   2.0993  63.813  3.1018 65.435  3.4153 -1.621994      4.613603 
1 1 1 22 23 19 o 71.142  2.2206 50.874   2.2275  72.862  3.2424 69.422  3.0351 3.440269       4.441293 
1 1 1 22 23 21 o 81.879  2.0134 67.568   2.3301  82.512  2.7858 81.247  2.9078 1.264671       4.026880 
1 1 1 22 23 23 o 79.806  2.2061 64.365   2.4885  78.349  3.0968 81.263  3.1429 -2.914421      4.412255 
1 1 1 22 23 25 o 44.980  2.8570 20.544   1.8057  47.518  4.1655 42.442  3.9115 5.076210       5.714090 
1 1 1 22 23 27 o 34.401  4.6635 13.401   2.1540  29.838  7.8221 38.963  5.0801 -9.124971      9.327005 
1 1 1 22 23 29 o 70.664  2.4919 51.400   2.4902  70.980  3.5083 70.347  3.5398 0.6324997      4.983799 
1 1 1 22 23 31 f 57.061  3.0870 34.355   2.4885  55.073  4.4057 59.050  4.3252 -3.977131      6.173902 
1 1 1 22 23 33 o 29.708  5.2789 10.563   2.1892  33.640  7.7471 25.776  7.1728 7.863846       10.55777 
1 1 1 22 23 35 o 19.267  5.4112 3.6015   2.1246  22.414  8.4931 16.120  6.7075 6.294228       10.82235 
1 1 1 22 23 37 o 12.223  4.0706 -2.9627  1.8815  11.516  5.6339 12.930  5.8770 -1.413441      8.141242 
1 1 1 22 24 0  o 62.219  2.4714 38.949   3.0648  62.219  2.4714 ?       ?      0.000000       0.000000 
1 1 1 22 24 2  o 24.622  3.9587 6.3141   1.4359  30.786  4.7702 18.457  6.3190 12.32910       7.917346 
1 1 1 22 24 4  o 102.081 1.7332 104.122  2.4492  103.577 2.7124 100.585 2.1583 2.991837       3.466314 
1 1 1 22 24 6  o 153.813 1.6878 236.974  3.6645  155.995 2.4559 151.631 2.3160 4.364304       3.375672 
1 1 1 22 24 8  o 93.674  1.7064 88.095   2.1892  93.229  2.7395 94.118  2.0352 -0.8886032     3.412771 
1 1 1 22 24 10 f 100.970 1.7077 102.164  2.3994  100.714 2.1555 101.227 2.6492 -0.5126266     3.415360 
1 1 1 22 24 12 o 24.740  4.2611 6.5426   1.4944  21.983  6.6756 27.497  5.2976 -5.513832      8.522232 
1 1 1 22 24 14 o 88.150  1.7715 78.016   2.1913  88.104  2.3191 88.196  2.6786 -0.9242249E-01 3.543069 
1 1 1 22 24 16 o 138.898 1.8295 193.315  3.5198  137.259 2.2794 140.536 2.8623 -3.277313      3.659021 
1 1 1 22 24 18 o 68.204  2.0851 46.850   2.0108  68.945  2.9636 67.463  2.9340 1.481911       4.170252 
1 1 1 22 24 20 o 56.316  2.4911 32.121   1.9711  56.419  3.2820 56.214  3.7483 0.2049789      4.982101 
1 1 1 22 24 22 o 63.563  2.1315 40.864   1.9155  62.659  3.0570 64.467  2.9713 -1.808128      4.263098 
1 1 1 22 24 24 o 13.679  4.5099 -3.5324  2.1540  13.669  6.4658 13.690  6.2889 -0.2106285E-01 9.019767 
1 1 1 22 24 26 o 30.212  4.6203 10.233   1.8815  29.630  7.3524 30.795  5.5976 -1.164667      9.240689 
1 1 1 22 24 28 o 53.063  3.3041 28.851   2.4099  57.993  5.0647 48.134  4.2448 9.858383       6.608279 
1 1 1 22 24 30 o 47.343  3.4344 24.751   2.1409  53.210  3.5999 41.476  5.8500 11.73456       6.868886 
1 1 1 22 24 32 o 41.430  3.3240 18.441   1.9469  40.633  4.7142 42.227  4.6874 -1.593861      6.647947 
1 1 1 22 24 34 o 19.052  5.4121 3.6377   2.2275  17.601  7.3003 20.503  7.9918 -2.902399      10.82419 
1 1 1 22 24 36 o 18.030  5.3341 3.1925   2.2986  19.033  7.7213 17.026  7.3615 2.006651       10.66818 
1 1 1 22 25 1  o 114.495 1.6798 131.628  2.7103  112.504 2.4972 116.485 2.2474 -3.980324      3.359554 
1 1 1 22 25 3  o 131.151 1.7593 172.699  3.2514  129.433 2.6145 132.870 2.3547 -3.437027      3.518577 
1 1 1 22 25 5  o 71.031  1.8469 50.429   1.8318  72.401  2.8221 69.661  2.3831 2.740242       3.693715 
1 1 1 22 25 7  f 126.361 1.7202 160.052  3.0435  126.735 2.6198 125.987 2.2299 0.7476120      3.440354 
1 1 1 22 25 9  o 123.089 1.7774 152.637  3.0316  120.917 2.7987 125.261 2.1919 -4.343269      3.554839 
1 1 1 22 25 11 o 119.771 1.7102 144.796  2.8605  123.694 2.1680 115.848 2.6456 7.846359       3.420417 
1 1 1 22 25 13 o 34.762  3.5042 12.252   1.7145  33.431  4.7747 36.093  5.1303 -2.661343      7.008414 
1 1 1 22 25 15 o 47.086  2.8914 22.526   1.9070  46.230  4.4197 47.941  3.7292 -1.711121      5.782750 
1 1 1 22 25 17 o 55.860  2.3008 31.320   1.8057  58.724  3.3706 52.995  3.1326 5.729553       4.601522 
1 1 1 22 25 19 o 24.517  4.5494 6.5678   1.6125  26.717  5.6686 22.317  7.1171 4.399202       9.098729 
1 1 1 22 25 21 o 37.778  3.5248 14.668   1.8701  38.942  5.2467 36.614  4.7085 2.328537       7.049695 
1 1 1 22 25 23 o 22.340  4.8631 5.1954   1.8147  17.198  6.7943 27.481  6.9596 -10.28290      9.726171 
1 1 1 22 25 25 o 19.031  5.1064 3.1339   1.9427  17.426  7.2058 20.636  7.2373 -3.209974      10.21283 
1 1 1 22 25 27 o 65.278  2.1489 43.595   1.9773  64.059  3.1896 66.497  2.8806 -2.438240      4.297824 
1 1 1 22 25 29 o 50.445  3.4086 27.147   2.4196  50.811  4.5239 50.080  5.0999 0.7309418      6.817209 
1 1 1 22 25 31 o 23.852  5.7572 7.0788   2.3349  23.111  8.5511 24.593  7.7109 -1.481718      11.51433 
1 1 1 22 25 33 o 28.221  5.8391 10.855   2.4902  26.545  8.3929 29.896  8.1202 -3.350744      11.67815 
1 1 1 22 25 35 f 17.910  5.4647 2.8450   2.5023  18.498  8.0222 17.322  7.4225 1.175518       10.92933 
1 1 1 22 26 0  o 146.603 2.6151 215.559  7.6621  146.603 2.6151 ?       ?      0.000000       0.000000 
1 1 1 22 26 2  o 114.635 1.6749 131.849  2.7103  114.649 2.4504 114.620 2.2839 0.2864838E-01  3.349792 
1 1 1 22 26 4  o 24.771  4.3012 6.4636   1.6503  18.629  7.0305 30.913  4.9571 -12.28399      8.602361 
1 1 1 22 26 6  o 84.187  1.9709 71.194   2.2951  84.435  3.1005 83.938  2.4342 0.4962997      3.941846 
1 1 1 22 26 8  o 102.948 1.8147 106.674  2.5789  102.206 2.8737 103.690 2.2168 -1.484520      3.629407 
1 1 1 22 26 10 o 46.377  2.7970 22.170   1.5726  44.790  4.9894 47.963  2.5294 -3.173149      5.593934 
1 1 1 22 26 12 o 54.363  2.1579 29.386   1.6380  48.421  3.0329 60.305  3.0705 -11.88337      4.315819 
1 1 1 22 26 14 o 75.577  1.9417 57.526   2.0746  75.459  2.7077 75.696  2.7836 -0.2367706     3.883319 
1 1 1 22 26 16 o 124.494 1.8680 156.130  3.2855  123.855 2.5776 125.133 2.7044 -1.278000      3.736025 
1 1 1 22 26 18 o 110.780 1.9808 124.016  3.0885  111.556 2.6329 110.003 2.9602 1.552872       3.961695 
1 1 1 22 26 20 o 46.973  2.9809 22.484   1.9464  48.842  4.5755 45.105  3.8221 3.736946       5.961877 
1 1 1 22 26 22 o 41.865  3.4683 18.429   2.0412  43.453  4.5552 40.278  5.2313 3.175030       6.936589 
1 1 1 22 26 24 o 52.582  2.9624 28.783   2.2024  53.462  4.1801 51.703  4.1988 1.758629       5.924820 
1 1 1 22 26 26 o 35.749  3.9541 14.020   1.9469  38.265  5.1727 33.233  5.9819 5.032185       7.908208 
1 1 1 22 26 28 o 24.543  6.2165 7.1839   2.7084  22.143  8.2244 26.943  9.3241 -4.799604      12.43302 
1 1 1 22 26 30 o 23.709  5.2686 6.8939   2.1004  20.215  8.0368 27.203  6.8148 -6.987951      10.53718 
1 1 1 22 26 32 f 26.049  6.2104 9.7654   2.7133  26.412  8.8343 25.685  8.7310 0.7276154      12.42076 
1 1 1 22 26 34 o 21.402  5.6867 6.2524   2.4247  23.298  7.8556 19.506  8.2247 3.791792       11.37346 
1 1 1 22 27 1  o 220.365 2.0406 488.893  6.3491  222.616 2.7821 218.114 2.9859 4.501282       4.081193 
1 1 1 22 27 3  o 166.121 1.8889 277.409  4.4374  165.262 2.6659 166.979 2.6767 -1.716980      3.777780 
1 1 1 22 27 5  o 87.950  1.8816 77.733   2.3091  88.123  2.8982 87.778  2.4005 0.3455048      3.763243 
1 1 1 22 27 7  o 23.129  4.7538 5.6385   1.6208  23.059  7.3683 23.199  6.0085 -0.1401806     9.507575 
1 1 1 22 27 9  o 39.877  3.3583 16.733   1.7057  37.080  5.8546 42.674  3.2917 -5.593777      6.716527 
1 1 1 22 27 11 o 37.179  4.1245 14.546   1.8648  36.314  7.2900 38.043  3.8602 -1.729816      8.248935 
1 1 1 22 27 13 f 26.772  5.4247 7.6095   2.1033  30.127  8.2418 23.418  7.0556 6.709515       10.84936 
1 1 1 22 27 15 o 17.776  5.0614 1.5020   2.0108  20.043  7.5267 15.508  6.7689 4.535406       10.12276 
1 1 1 22 27 17 o 47.333  2.9621 22.986   1.9794  48.952  4.0435 45.715  4.3298 3.237495       5.924289 
1 1 1 22 27 19 o 55.031  2.3810 30.901   1.8429  55.816  3.5462 54.245  3.1781 1.571388       4.761925 
1 1 1 22 27 21 o 35.718  4.1534 13.856   2.0412  38.753  5.4372 32.684  6.2801 6.068531       8.306787 
1 1 1 22 27 23 o 19.500  5.4335 3.1722   2.1802  20.944  8.1123 18.055  7.2306 2.888710       10.86699 
1 1 1 22 27 25 o 26.342  5.0656 8.2629   1.9344  27.072  6.6444 25.613  7.6482 1.459175       10.13126 
1 1 1 22 27 27 o 25.540  5.1598 7.9194   2.0707  21.117  7.7922 29.962  6.7658 -8.845314      10.31959 
1 1 1 22 27 29 o 13.919  4.5404 -2.0432  2.1071  15.054  6.7493 12.785  6.0753 2.268777       9.080882 
1 1 1 22 27 31 o 15.111  4.9158 -1.3135  2.4578  16.374  7.2943 13.848  6.5920 2.525681       9.831651 
1 1 1 22 27 33 o 40.461  5.0958 21.302   2.8410  37.579  7.7408 43.342  6.6293 -5.762337      10.19154 
1 1 1 22 28 0  o 172.583 2.5540 298.948  8.8114  172.583 2.5540 ?       ?      0.000000       0.000000 
1 1 1 22 28 2  o 123.690 1.8251 153.890  3.1912  121.331 2.5786 126.049 2.5834 -4.718170      3.650110 
1 1 1 22 28 4  o 47.420  2.9282 22.888   1.9218  47.062  4.6129 47.778  3.6083 -0.7155991     5.856463 
1 1 1 22 28 6  o 38.155  3.9281 15.980   1.8815  32.569  6.8787 43.741  3.7953 -11.17178      7.856269 
1 1 1 22 28 8  o 26.962  4.8994 7.7551   1.8181  28.900  7.6224 25.024  6.1575 3.875706       9.798792 
1 1 1 22 28 10 o 52.095  2.9631 28.112   1.9332  50.369  5.1974 53.821  2.8473 -3.451515      5.926176 
1 1 1 22 28 12 o 53.875  2.8551 29.961   1.9332  52.426  4.9935 55.324  2.7699 -2.898129      5.710278 
1 1 1 22 28 14 o 44.064  4.2761 21.302   2.2407  40.529  7.6832 47.599  3.7560 -7.069607      8.552113 
1 1 1 22 28 16 o 53.291  2.6295 29.180   1.9794  54.789  3.6127 51.793  3.8217 2.995369       5.258986 
1 1 1 22 28 18 o 27.512  5.3419 8.7738   2.1540  25.773  8.1775 29.251  6.8753 -3.477238      10.68373 
1 1 1 22 28 20 o 27.186  5.3530 8.6448   2.2024  23.083  7.8556 31.289  7.2738 -8.206909      10.70601 
1 1 1 22 28 22 o 19.900  5.3668 3.7548   2.1347  18.639  7.5954 21.161  7.5841 -2.521593      10.73353 
1 1 1 22 28 24 o 17.844  5.2286 1.8248   2.2024  19.799  7.7614 15.890  7.0081 3.908443       10.45718 
1 1 1 22 28 26 o 14.981  4.7654 -0.6862  2.1156  15.093  6.9072 14.869  6.5671 0.2244778      9.530787 
1 1 1 22 28 28 o 23.398  5.5086 6.9664   2.1385  22.720  7.8489 24.077  7.7314 -1.356321      11.01724 
1 1 1 22 28 30 o 23.370  5.9476 7.6491   2.5217  24.626  8.5127 22.114  8.3083 2.511860       11.89516 
1 1 1 22 29 1  o 58.932  2.3366 35.168   1.9469  58.240  3.2890 59.624  3.3197 -1.383648      4.673123 
1 1 1 22 29 3  o 79.306  2.2196 63.965   2.4247  77.549  3.5404 81.063  2.6781 -3.514282      4.439219 
1 1 1 22 29 5  o 33.928  4.3995 12.319   2.0253  32.535  7.0667 35.321  5.2425 -2.785168      8.798913 
1 1 1 22 29 7  o 56.764  2.5447 32.452   2.0113  59.234  3.8805 54.293  3.2929 4.941429       5.089389 
1 1 1 22 29 9  o 57.897  2.7573 34.550   2.1469  55.954  4.5645 59.840  3.0944 -3.886539      5.514522 
1 1 1 22 29 11 o 85.182  2.2754 74.301   2.6072  83.227  3.7592 87.137  2.5647 -3.910004      4.550726 
1 1 1 22 29 13 o 54.398  3.0360 29.854   2.1213  56.918  5.1602 51.878  3.2001 5.040768       6.071930 
1 1 1 22 29 15 o 21.707  5.3416 4.7714   1.8284  22.450  8.8006 20.964  6.0563 1.486084       10.68313 
1 1 1 22 29 17 o 23.013  5.1889 5.9077   1.9427  26.046  7.4603 19.980  7.2139 6.065554       10.37775 
1 1 1 22 29 19 o 20.748  5.4922 3.9911   2.2662  18.021  7.5585 23.474  7.9703 -5.453251      10.98433 
1 1 1 22 29 21 o 18.693  5.3086 2.8971   2.1156  19.602  7.8788 17.784  7.1168 1.817368       10.61713 
1 1 1 22 29 23 o 18.236  5.1042 2.9643   1.9344  17.362  6.9000 19.111  7.5235 -1.748268      10.20848 
1 1 1 22 29 25 o 19.415  5.6411 3.1159   2.5524  17.572  7.7261 21.258  8.2215 -3.685949      11.28214 
1 1 1 22 29 27 o 47.322  3.3887 24.733   2.2626  44.903  4.8347 49.740  4.7496 -4.836891      6.777384 
1 1 1 22 29 29 o 44.815  4.4228 24.304   2.7595  43.503  6.8984 46.127  5.5369 -2.624710      8.845600 
1 1 1 22 30 0  o 50.755  4.0770 26.562   4.0864  50.755  4.0770 ?       ?      0.000000       0.000000 
1 1 1 22 30 2  o 78.034  2.2817 62.329   2.4836  73.840  3.5453 82.227  2.8731 -8.386253      4.563332 
1 1 1 22 30 4  o 53.021  2.9743 28.496   2.1892  56.477  4.5222 49.565  3.8647 6.912773       5.948611 
1 1 1 22 30 6  o 37.875  3.7295 14.534   1.9256  42.534  5.7044 33.215  4.8058 9.318443       7.458976 
1 1 1 22 30 8  o 18.228  5.2987 1.3025   2.1454  22.642  8.5912 13.814  6.2047 8.828139       10.59748 
1 1 1 22 30 10 o 55.254  2.7317 31.086   2.0123  56.588  4.5133 53.920  3.0788 2.667793       5.463456 
1 1 1 22 30 12 o 63.892  2.6298 42.269   2.1851  62.603  4.4877 65.181  2.7428 -2.577793      5.259504 
1 1 1 22 30 14 o 76.446  2.7573 60.627   2.8691  75.623  4.4749 77.269  3.2227 -1.646156      5.514636 
1 1 1 22 30 16 o 65.379  3.0342 43.887   2.3837  66.225  5.3992 64.533  2.7704 1.692551       6.068479 
1 1 1 22 30 18 o 38.703  4.3232 16.732   2.2915  34.299  6.5635 43.108  5.6285 -8.808670      8.646333 
1 1 1 22 30 20 o 21.110  5.3349 4.9464   2.0412  19.826  7.5881 22.394  7.5010 -2.568653      10.66980 
1 1 1 22 30 22 o 24.717  5.5613 7.6010   2.1987  26.748  7.9885 22.687  7.7392 4.060335       11.12255 
1 1 1 22 30 24 o 21.705  5.8918 5.4133   2.6163  19.516  8.1739 23.894  8.4876 -4.377705      11.78354 
1 1 1 22 30 26 o 27.816  5.7901 10.816   2.5023  24.866  8.8034 30.767  7.5235 -5.901094      11.58029 
1 1 1 22 30 28 o 44.606  4.0985 23.648   2.5824  45.509  5.8927 43.703  5.6979 1.806000       8.197004 
1 1 1 22 31 1  o 25.443  5.3631 7.4086   2.0746  25.230  7.6714 25.657  7.4969 -0.4269829     10.72626 
1 1 1 22 31 3  o 38.420  4.4447 16.401   2.2123  35.601  7.5793 41.239  4.6449 -5.638329      8.889365 
1 1 1 22 31 5  o 37.554  4.0202 14.899   2.1156  40.266  5.8671 34.842  5.4978 5.424648       8.040412 
1 1 1 22 31 7  f 30.678  5.3609 10.884   2.3196  34.056  7.5137 27.301  7.6487 6.754608       10.72186 
1 1 1 22 31 9  o 35.138  4.8080 14.295   2.2123  30.922  8.2932 39.354  4.8673 -8.432432      9.616053 
1 1 1 22 31 11 o 47.387  3.6463 23.092   2.3650  52.809  5.5618 41.965  4.7167 10.84338       7.292526 
1 1 1 22 31 13 o 52.915  3.8435 31.139   2.3936  48.517  6.9750 57.312  3.2309 -8.794312      7.686907 
1 1 1 22 31 15 o 68.450  2.8079 48.488   2.4802  69.279  4.7925 67.620  2.9272 1.659286       5.615742 
1 1 1 22 31 17 o 54.771  3.6841 32.471   2.4248  53.268  6.5927 56.275  3.2904 -3.007256      7.368179 
1 1 1 22 31 19 o 27.262  5.6697 9.3729   2.3266  27.611  8.1995 26.914  7.8328 0.6972542      11.33949 
1 1 1 22 31 21 o 27.454  5.7290 9.7002   2.3906  29.850  8.1258 25.058  8.0780 4.791260       11.45791 
1 1 1 22 31 23 o 22.395  6.0532 6.5508   2.6437  25.032  9.1694 19.759  7.9050 5.273726       12.10644 
1 1 1 22 31 25 o 15.505  4.9476 0.4766   2.1655  17.229  7.7150 13.780  6.1964 3.448844       9.895251 
1 1 1 22 32 0  o 62.513  4.3319 40.481   5.3634  62.513  4.3319 ?       ?      0.000000       0.000000 
1 1 1 22 32 2  o 37.631  4.6387 15.966   2.3556  33.913  7.5404 41.348  5.4048 -7.435009      9.277339 
1 1 1 22 32 4  o 32.435  5.2539 12.121   2.3193  33.422  8.0974 31.447  6.6967 1.974775       10.50781 
1 1 1 22 32 6  f 34.591  5.1699 13.699   2.4379  37.664  7.3834 31.519  7.2387 6.144573       10.33987 
1 1 1 22 32 8  o 25.799  5.6316 7.9316   2.2702  24.667  8.5141 26.930  7.3737 -2.262888      11.26329 
1 1 1 22 32 10 o 32.228  5.5999 12.617   2.4519  31.406  9.1833 33.050  6.4110 -1.643681      11.19971 
1 1 1 22 32 12 o 20.902  5.6257 4.2572   2.3086  20.148  8.6000 21.655  7.2550 -1.507286      11.25144 
1 1 1 22 32 14 o 25.145  5.7006 7.5344   2.3837  22.197  9.3739 28.093  6.4897 -5.895922      11.40115 
1 1 1 22 32 16 o 40.325  4.4057 18.589   2.2779  38.639  7.5400 42.011  4.5596 -3.372322      8.811421 
1 1 1 22 32 18 o 28.717  5.3096 10.478   2.1844  24.477  9.3485 32.956  5.0373 -8.479105      10.61927 
1 1 1 22 32 20 o 19.847  5.6689 4.1830   2.4836  21.887  8.4370 17.807  7.5740 4.080456       11.33790 
1 1 1 22 32 22 o 23.858  5.9590 8.0180   2.5524  21.941  8.4413 25.776  8.4134 -3.835184      11.91809 
1 1 1 22 32 24 o 33.945  5.0187 14.983   2.3091  34.324  7.6402 33.565  6.5098 0.7588577      10.03740 
1 1 1 22 33 1  o 33.495  5.4616 13.659   2.5524  29.979  8.3993 37.012  6.9834 -7.032701      10.92320 
1 1 1 22 33 3  o 29.137  5.9334 10.557   2.5540  29.299  8.9682 28.974  7.7712 0.3248711      11.86677 
1 1 1 22 33 5  o 24.338  5.6551 6.9946   2.3429  21.731  8.5777 26.945  7.3719 -5.213617      11.31025 
1 1 1 22 33 7  o 36.654  5.0642 16.336   2.4492  29.929  8.8055 43.379  5.0046 -13.45003      10.12830 
1 1 1 22 33 9  o 36.862  5.5129 16.253   2.7165  36.021  9.1870 37.704  6.0965 -1.683285      11.02576 
1 1 1 22 33 11 o 43.221  5.0713 22.773   2.6450  37.331  9.1286 49.112  4.4204 -11.78090      10.14253 
1 1 1 22 33 13 o 36.158  5.7249 16.383   2.6335  33.599  10.161 38.718  5.2772 -5.118904      11.44970 
1 1 1 22 33 15 o 24.777  6.3552 7.7373   2.6669  25.384  10.296 24.170  7.4528 1.214008       12.71042 
1 1 1 22 33 17 o 35.380  5.5718 17.025   2.5481  29.202  10.075 41.558  4.7629 -12.35607      11.14369 
1 1 1 22 33 19 o 51.992  4.3623 30.996   2.6084  51.584  7.9219 52.400  3.6555 -0.8166351     8.724662 
1 1 1 22 33 21 o 35.713  6.0178 18.849   3.0184  41.371  6.0191 30.055  10.422 11.31545       12.03567 
1 1 1 22 34 0  o 44.707  5.7207 21.965   4.9803  44.707  5.7207 ?       ?      0.000000       0.000000 
1 1 1 22 34 2  o 31.536  5.5260 12.193   2.4247  33.361  8.2624 29.711  7.3401 3.650349       11.05192 
1 1 1 22 34 4  o 17.921  5.1752 1.1873   2.3469  14.460  6.8014 21.381  7.8021 -6.920944      10.35044 
1 1 1 22 34 6  o 21.007  5.8638 4.6540   2.5540  21.413  8.6549 20.601  7.9138 0.8117352      11.72751 
1 1 1 22 34 8  o 20.354  5.7882 3.7619   2.6682  18.559  8.2377 22.149  8.1335 -3.589520      11.57640 
1 1 1 22 34 10 o 16.365  5.2538 -1.2066  2.6949  15.723  7.5017 17.007  7.3575 -1.283989      10.50757 
1 1 1 22 34 12 o 20.003  6.0009 3.4343   2.9521  19.809  8.7415 20.196  8.2238 -0.3869839     12.00183 
1 1 1 22 34 14 o 19.978  5.8185 3.9669   2.6084  19.659  9.0333 20.296  7.3363 -0.6367054     11.63708 
1 1 1 22 34 16 o 26.479  6.0321 10.084   2.6172  24.106  9.7418 28.853  7.1165 -4.747427      12.06427 
1 1 1 22 34 18 o 39.442  5.7867 18.141   2.5170  46.705  10.259 32.180  5.3573 14.52479       11.57333 
1 1 1 22 35 1  o 68.335  3.3759 50.727   3.2514  67.546  5.0100 69.125  4.5261 -1.578957      6.751770 
1 1 1 22 35 3  o 50.507  3.9074 28.521   2.7683  49.413  5.9441 51.600  5.0734 -2.187603      7.814774 
1 1 1 22 35 5  o 24.696  5.7208 7.6652   2.6039  19.292  8.2343 30.100  7.9439 -10.80775      11.44156 
1 1 1 22 35 7  o 19.598  5.7516 3.6057   2.6952  18.169  8.0643 21.028  8.2032 -2.859226      11.50325 
1 1 1 22 35 9  o 38.039  5.8385 19.865   3.0227  32.370  10.024 43.709  5.9893 -11.33968      11.67707 
1 1 1 22 35 11 o 32.636  5.9099 15.017   2.7545  28.106  10.276 37.165  5.8412 -9.059816      11.81980 
1 1 1 22 35 13 o 17.043  5.4066 1.0034   2.6270  19.756  8.5206 14.329  6.6578 5.426969       10.81327 
1 1 1 22 35 15 o 19.268  5.8140 4.2112   2.6919  20.267  8.8485 18.269  7.5441 1.998529       11.62794 
1 1 1 22 36 0  o 11.915  8.0722 -0.5108  5.4911  11.915  8.0722 ?       ?      0.000000       0.000000 
1 1 1 22 36 2  o 18.014  5.6263 1.9561   2.7964  19.289  8.3764 16.739  7.5136 2.549297       11.25252 
1 1 1 22 36 4  o 19.389  5.8168 3.8222   2.7771  18.688  8.0623 20.090  8.3870 -1.401552      11.63369 
1 1 1 22 36 6  o 33.187  5.4670 15.802   2.7383  24.182  9.3915 42.192  5.5993 -18.01008      10.93403 
1 1 1 22 36 8  o 57.466  3.7696 37.448   2.9797  60.822  5.8789 54.111  4.7199 6.710522       7.539160 
1 1 1 22 36 10 o 61.335  3.8939 43.996   3.0572  58.687  6.7455 63.983  3.8919 -5.296532      7.787774 
1 1 1 23 1  0  o 439.310 5.0740 1932.50  44.568  439.310 5.0740 ?       ?      0.000000       0.000000 
1 1 1 23 1  2  o 268.792 2.4270 722.714  9.2210  263.821 3.4125 273.763 3.4518 -9.941986      4.853908 
1 1 1 23 1  4  o 75.444  1.7763 57.084   1.8701  76.462  2.2547 74.425  2.7453 2.037216       3.552516 
1 1 1 23 1  6  o 102.217 1.5460 104.523  2.2348  101.936 2.1923 102.498 2.1803 -0.5621948     3.091928 
1 1 1 23 1  8  o 145.304 1.5225 211.217  3.1287  144.953 2.1584 145.656 2.1480 -0.7030792     3.045092 
1 1 1 23 1  10 o 105.262 1.6512 109.999  2.4247  109.471 2.5080 101.052 2.1483 8.418800       3.302336 
1 1 1 23 1  12 o 136.331 1.7000 185.427  3.1950  137.842 2.6866 134.820 2.0838 3.022095       3.400061 
1 1 1 23 1  14 o 127.766 1.5927 163.415  2.8676  128.518 2.1363 127.013 2.3627 1.505028       3.185339 
1 1 1 23 1  16 f 77.650  1.7844 60.317   1.9218  77.767  2.7915 77.533  2.2235 0.2341919      3.568860 
1 1 1 23 1  18 o 117.940 1.4715 139.580  2.3843  116.686 2.3529 119.194 1.7678 -2.507721      2.943014 
1 1 1 23 1  20 o 131.715 1.5137 173.522  2.7862  131.359 1.9443 132.070 2.3206 -0.7105865     3.027460 
1 1 1 23 1  22 o 62.516  1.9221 39.134   1.6770  62.474  2.4529 62.558  2.9599 -0.8483887E-01 3.844172 
1 1 1 23 1  24 o 56.282  2.0857 31.734   1.6601  56.225  2.9526 56.338  2.9467 -0.1134453     4.171438 
1 1 1 23 1  26 o 33.825  3.6193 11.259   1.6388  31.892  4.2044 35.758  5.8925 -3.866219      7.238692 
1 1 1 23 1  28 o 71.866  1.9162 51.775   1.9469  72.174  2.7425 71.558  2.6769 0.6157990      3.832339 
1 1 1 23 1  30 o 72.973  2.2929 53.403   2.3469  73.821  3.4597 72.126  3.0099 1.695160       4.585772 
1 1 1 23 1  32 o 24.709  5.6212 5.1483   2.0992  32.251  9.1050 17.167  6.5947 15.08392       11.24243 
1 1 1 23 1  34 o 13.976  4.5802 -3.4270  2.1156  12.340  5.8302 15.611  7.0654 -3.270071      9.160323 
1 1 1 23 1  36 o 33.266  5.0387 12.011   2.2915  33.572  6.7037 32.960  7.5241 0.6123505      10.07730 
1 1 1 23 1  38 o 20.879  5.4060 3.9974   2.0993  20.278  7.7997 21.479  7.4875 -1.201149      10.81193 
1 1 1 23 1  40 o 18.118  5.0096 2.4519   1.9070  16.787  7.0874 19.450  7.0819 -2.662785      10.01926 
1 1 1 23 1  42 o 16.179  4.7958 1.2946   1.8164  15.543  6.3907 16.815  7.1524 -1.271132      9.591603 
1 1 1 23 1  44 o 16.563  4.9858 1.2291   2.0113  14.463  6.3718 18.662  7.6702 -4.198816      9.971546 
1 1 1 23 1  46 o 18.789  5.3524 3.7161   2.1691  18.813  7.1387 18.764  7.9768 0.4915047E-01  10.70474 
1 1 1 23 2  1  o 126.742 1.5496 160.670  2.7771  128.177 2.1918 125.306 2.1911 2.870529       3.099191 
1 1 1 23 2  3  o 220.232 1.8348 483.367  5.6745  226.398 2.7357 214.066 2.4459 12.33209       3.669621 
1 1 1 23 2  5  o 175.199 1.8592 308.169  4.5151  172.511 2.9240 177.888 2.2972 -5.376846      3.718439 
1 1 1 23 2  7  o 208.931 1.9707 436.797  5.7851  208.938 2.9643 208.924 2.5977 0.1300049E-01  3.941465 
1 1 1 23 2  9  o 327.850 2.9176 1077.41  12.905  326.986 4.7841 328.715 3.3410 -1.729187      5.835221 
1 1 1 23 2  11 o 292.122 2.6149 857.494  10.362  288.988 4.2642 295.256 3.0276 -6.268005      5.229707 
1 1 1 23 2  13 o 322.338 2.6327 1041.47  11.841  320.653 4.0622 324.023 3.3499 -3.370087      5.265306 
1 1 1 23 2  15 f 132.430 1.8142 176.372  3.1974  130.750 3.0277 134.110 1.9996 -3.360168      3.628437 
1 1 1 23 2  17 o 243.083 2.1369 591.483  7.3339  242.555 2.9220 243.612 3.1190 -1.057648      4.273870 
1 1 1 23 2  19 o 181.887 1.8018 331.141  4.6184  181.965 2.4212 181.809 2.6691 0.1562500      3.603617 
1 1 1 23 2  21 o 71.495  2.0827 51.036   2.0993  68.778  2.8779 74.212  3.0113 -5.433777      4.165389 
1 1 1 23 2  23 o 106.783 1.6491 114.125  2.4885  106.069 2.2875 107.497 2.3759 -1.428658      3.298106 
1 1 1 23 2  25 o 158.842 1.8052 252.625  4.0522  158.425 2.4988 159.259 2.6060 -0.8338165     3.610432 
1 1 1 23 2  27 o 96.586  2.0592 92.351   2.7383  101.041 3.2228 92.130  2.5643 8.911598       4.118496 
1 1 1 23 2  29 o 71.630  2.9954 48.757   2.4360  76.875  5.3987 66.385  2.5969 10.49030       5.990841 
1 1 1 23 2  31 o 70.314  2.2518 49.690   2.2275  70.515  2.9881 70.114  3.3695 0.4012146      4.503588 
1 1 1 23 2  33 o 74.496  2.0601 55.088   2.1240  70.696  2.6192 78.297  3.1804 -7.601196      4.120104 
1 1 1 23 2  35 o 75.058  1.9592 56.752   2.0707  74.271  2.9230 75.846  2.6097 -1.574837      3.918466 
1 1 1 23 2  37 o 33.630  3.6936 11.672   1.7553  34.655  5.1589 32.606  5.2873 2.049099       7.387137 
1 1 1 23 2  39 o 58.315  2.3619 34.737   1.9469  58.445  3.2775 58.185  3.4018 0.2598991      4.723797 
1 1 1 23 2  41 o 19.580  5.0197 3.7650   1.8318  20.968  6.8695 18.193  7.3211 2.774651       10.03937 
1 1 1 23 2  43 o 18.047  5.2892 1.9655   2.1246  14.848  6.4569 21.247  8.3792 -6.399571      10.57840 
1 1 1 23 2  45 o 32.300  5.0247 13.387   2.1851  38.762  4.6123 25.837  8.9286 12.92507       10.04948 
1 1 1 23 2  47 o 16.148  4.9468 1.5136   2.0789  16.229  6.6517 16.068  7.3238 0.1604767      9.893627 
1 1 1 23 3  0  o 244.318 3.0065 597.385  14.686  244.318 3.0065 ?       ?      0.000000       0.000000 
1 1 1 23 3  2  o 530.175 3.4702 2815.96  26.018  530.741 4.9325 529.609 4.8827 1.132202       6.940494 
1 1 1 23 3  4  o 464.504 3.2280 2161.18  21.186  464.355 4.6751 464.652 4.4523 -0.2975464     6.455957 
1 1 1 23 3  6  o 361.444 3.0348 1309.72  15.460  357.289 4.5034 365.599 4.0693 -8.309784      6.069580 
1 1 1 23 3  8  o 360.976 2.5830 1304.54  13.184  356.319 3.6735 365.634 3.6323 -9.315521      5.166054 
1 1 1 23 3  10 o 260.130 2.3980 677.598  8.7947  259.479 3.5434 260.781 3.2319 -1.302155      4.795968 
1 1 1 23 3  12 o 271.065 2.2779 735.838  8.6893  270.107 3.4040 272.023 3.0279 -1.916229      4.555847 
1 1 1 23 3  14 o 242.529 2.0148 589.013  6.8746  241.360 3.0158 243.699 2.6725 -2.338852      4.029537 
1 1 1 23 3  16 o 217.803 1.9175 474.584  5.8048  217.384 2.4085 218.223 2.9844 -0.8393097     3.835087 
1 1 1 23 3  18 o 155.563 1.6141 240.929  3.4951  151.779 2.0613 159.347 2.4843 -7.567856      3.228170 
1 1 1 23 3  20 o 63.521  1.8433 40.689   1.5975  65.088  2.1582 61.954  2.9888 3.134518       3.686524 
1 1 1 23 3  22 o 176.354 1.7109 312.163  4.2266  179.301 2.2079 173.407 2.6143 5.893448       3.421875 
1 1 1 23 3  24 o 110.541 2.1556 122.772  3.3372  108.448 3.2971 112.634 2.7777 -4.186317      4.311227 
1 1 1 23 3  26 o 82.606  2.0246 68.360   2.3556  82.867  3.0050 82.345  2.7139 0.5219727      4.049148 
1 1 1 23 3  28 o 81.435  1.7756 66.486   2.0412  81.793  2.4200 81.076  2.5989 0.7172318      3.551107 
1 1 1 23 3  30 o 101.506 2.0337 103.160  2.8627  102.592 3.1741 100.420 2.5433 2.172653       4.067365 
1 1 1 23 3  32 o 136.305 1.6728 186.269  3.2241  134.575 2.3723 138.035 2.3591 -3.459244      3.345614 
1 1 1 23 3  34 o 79.209  1.7378 62.890   1.9427  76.728  2.4133 81.691  2.5012 -4.962929      3.475594 
1 1 1 23 3  36 o 100.362 1.7998 101.395  2.5540  99.280  2.5725 101.443 2.5177 -2.163086      3.599533 
1 1 1 23 3  38 o 56.651  2.4320 32.507   1.9344  55.430  3.2254 57.873  3.6408 -2.443127      4.864027 
1 1 1 23 3  40 o 31.532  4.6607 11.138   1.9986  31.091  6.1751 31.974  6.9825 -0.8829231     9.321322 
1 1 1 23 3  42 o 39.003  3.8943 16.114   1.9503  37.602  4.0753 40.404  6.6373 -2.801590      7.788575 
1 1 1 23 3  44 o 16.928  5.1148 1.1238   2.2275  18.228  7.3934 15.628  7.0699 2.599607       10.22967 
1 1 1 23 3  46 o 22.318  5.8906 6.6307   2.4538  21.867  7.7151 22.769  8.9035 -0.9017200     11.78117 
1 1 1 23 4  1  o 116.868 1.6037 136.580  2.6463  117.576 2.3351 116.159 2.1987 1.417145       3.207378 
1 1 1 23 4  3  o 180.710 1.7754 326.715  4.5253  180.759 2.6139 180.661 2.4033 0.9841919E-01  3.550856 
1 1 1 23 4  5  o 189.906 1.7286 360.824  4.6025  189.882 2.6229 189.930 2.2524 -0.4762268E-01 3.457266 
1 1 1 23 4  7  o 133.397 1.5674 177.136  2.8691  135.710 2.4936 131.085 1.8997 4.625748       3.134771 
1 1 1 23 4  9  o 108.209 1.5240 116.262  2.2951  112.067 2.3360 104.350 1.9580 7.717857       3.048072 
1 1 1 23 4  11 o 94.631  1.4078 90.280   1.8164  92.197  2.2854 97.065  1.6445 -4.868423      2.815580 
1 1 1 23 4  13 o 164.943 1.6941 272.841  3.8954  166.926 2.1420 162.960 2.6252 3.965347       3.388193 
1 1 1 23 4  15 o 261.802 2.1397 688.133  7.8637  267.900 2.7885 255.703 3.2462 12.19754       4.279440 
1 1 1 23 4  17 o 123.647 1.5635 152.854  2.6682  123.244 1.9169 124.050 2.4706 -0.8061218     3.127060 
1 1 1 23 4  19 o 203.855 1.9713 415.961  5.6798  202.890 2.7379 204.821 2.8368 -1.931564      3.942561 
1 1 1 23 4  21 o 95.975  2.0322 92.972   2.6682  93.361  3.2828 98.589  2.3963 -5.228050      4.064302 
1 1 1 23 4  23 o 56.157  2.0599 31.439   1.5975  55.091  2.5498 57.223  3.2359 -2.132305      4.119737 
1 1 1 23 4  25 o 97.696  1.5487 95.008   2.1156  94.570  2.0255 100.822 2.3432 -6.251862      3.097306 
1 1 1 23 4  27 o 80.396  2.0007 64.714   2.2447  79.821  2.5598 80.971  3.0754 -1.149918      4.001305 
1 1 1 23 4  29 o 33.013  3.6885 10.926   1.7027  31.410  4.8788 34.617  5.5335 -3.207077      7.377100 
1 1 1 23 4  31 o 29.998  4.1573 9.4026   1.7216  35.167  5.0838 24.830  6.5792 10.33720       8.314515 
1 1 1 23 4  33 o 96.526  1.8563 93.673   2.5023  96.962  2.3706 96.090  2.8573 0.8720627      3.712675 
1 1 1 23 4  35 o 48.377  3.3120 23.625   2.2447  43.784  4.6666 52.971  4.7010 -9.186401      6.623946 
1 1 1 23 4  37 f 21.196  4.9577 4.0761   1.9464  25.352  6.6987 17.040  7.3106 8.311998       9.915494 
1 1 1 23 4  39 o 52.851  3.1165 28.741   2.3091  48.092  4.3813 57.609  4.4334 -9.516468      6.233015 
1 1 1 23 4  41 o 26.012  5.4337 7.7612   2.0813  24.080  7.0051 27.944  8.3084 -3.863483      10.86739 
1 1 1 23 4  43 o 20.752  5.7482 4.2289   2.3264  19.639  7.2018 21.864  8.9611 -2.224247      11.49635 
1 1 1 23 4  45 o 19.722  5.4009 4.1878   2.1409  19.814  7.3179 19.630  7.9454 0.1840992      10.80188 
1 1 1 23 4  47 f 21.318  5.4684 6.0945   2.2024  23.895  7.8556 18.742  7.6094 5.152992       10.93680 
1 1 1 23 5  0  o 298.995 3.2468 894.672  19.411  298.995 3.2468 ?       ?      0.000000       0.000000 
1 1 1 23 5  2  o 152.378 1.4817 232.186  3.1912  148.608 2.1053 156.148 2.0854 -7.540298      2.963344 
1 1 1 23 5  4  o 306.321 2.5857 939.456  11.121  306.089 3.9008 306.553 3.3951 -0.4632874     5.171352 
1 1 1 23 5  6  o 265.159 2.3164 703.654  8.6762  265.826 3.3628 264.492 3.1866 1.333801       4.632754 
1 1 1 23 5  8  o 138.187 1.5057 190.991  2.9246  138.460 2.2596 137.913 1.9908 0.5465851      3.011500 
1 1 1 23 5  10 o 158.318 1.6376 251.248  3.5991  159.659 2.0396 156.979 2.5625 2.680099       3.275107 
1 1 1 23 5  12 o 211.718 1.8345 449.554  5.4172  214.264 2.3244 209.172 2.8389 5.091553       3.669047 
1 1 1 23 5  14 o 166.784 1.8892 278.651  4.4098  165.779 2.8887 167.789 2.4355 -2.010498      3.778337 
1 1 1 23 5  16 o 183.846 2.0197 338.432  5.2077  183.503 3.0620 184.190 2.6346 -0.6873932     4.039409 
1 1 1 23 5  18 o 168.346 1.7843 283.368  4.2343  166.552 2.4152 170.140 2.6270 -3.587494      3.568504 
1 1 1 23 5  20 o 95.204  1.5849 90.372   2.0374  94.180  1.8305 96.228  2.5878 -2.048088      3.169765 
1 1 1 23 5  22 o 35.938  2.8993 12.956   1.4575  35.860  3.7391 36.016  4.4321 -0.1554794     5.798688 
1 1 1 23 5  24 o 98.555  2.1512 96.308   2.9521  93.590  2.7972 103.520 3.2690 -9.929665      4.302392 
1 1 1 23 5  26 o 36.592  2.9438 13.574   1.4835  37.920  3.5361 35.265  4.7076 2.654751       5.887695 
1 1 1 23 5  28 f 102.044 1.5929 104.332  2.2986  102.670 2.2388 101.419 2.2665 1.251434       3.185793 
1 1 1 23 5  30 o 58.972  2.5664 34.668   2.1004  56.585  3.2723 61.359  3.9543 -4.773914      5.132703 
1 1 1 23 5  32 o 42.903  3.1545 18.270   1.8815  37.457  4.4321 48.350  4.4900 -10.89316      6.309026 
1 1 1 23 5  34 o 21.215  5.0483 4.3620   1.8192  22.955  7.0840 19.475  7.1944 3.480185       10.09664 
1 1 1 23 5  36 o 36.053  3.2745 13.345   1.6601  33.839  4.9059 38.266  4.3383 -4.427578      6.548966 
1 1 1 23 5  38 o 47.241  2.9847 23.056   1.9773  44.901  4.5504 49.581  3.8634 -4.679203      5.969304 
1 1 1 23 5  40 o 17.997  4.6891 2.9021   1.6276  15.908  6.5250 20.087  6.7361 -4.178564      9.378226 
1 1 1 23 5  42 o 30.911  4.5128 10.991   1.9469  36.455  5.4295 25.367  7.2100 11.08847       9.025701 
1 1 1 23 5  44 o 35.052  6.0190 14.786   2.4576  34.580  4.9855 35.524  10.957 -0.9445229     12.03799 
1 1 1 23 5  46 o 25.073  5.3917 8.2430   2.5231  31.015  6.1894 19.130  8.8303 11.88485       10.78340 
1 1 1 23 6  1  o 169.335 1.6666 286.898  3.9904  168.674 2.3848 169.995 2.3287 -1.320999      3.333221 
1 1 1 23 6  3  o 142.597 1.5831 203.428  3.1925  142.687 2.2374 142.508 2.2402 0.1791077      3.166195 
1 1 1 23 6  5  o 113.507 1.3944 129.025  2.2329  111.791 2.0562 115.224 1.8841 -3.433655      2.788839 
1 1 1 23 6  7  o 170.528 1.6871 291.341  3.9405  171.309 2.0127 169.747 2.7083 1.561752       3.374273 
1 1 1 23 6  9  o 251.275 2.4409 633.383  8.6460  244.978 3.6229 257.572 3.2722 -12.59419      4.881838 
1 1 1 23 6  11 o 307.765 2.8400 948.489  12.337  308.855 4.1553 306.675 3.8726 2.180908       5.680097 
1 1 1 23 6  13 o 17.324  4.0956 2.5442   1.2377  13.750  5.5083 20.897  6.0625 -7.147721      8.191204 
1 1 1 23 6  15 o 164.512 1.7403 270.432  3.9577  163.518 2.1476 165.506 2.7391 -1.987656      3.480664 
1 1 1 23 6  17 o 146.590 1.6602 215.079  3.3656  146.691 2.0458 146.490 2.6152 0.2005920      3.320329 
1 1 1 23 6  19 o 276.499 2.2551 764.252  8.6679  273.931 2.8437 279.068 3.5006 -5.137085      4.510101 
1 1 1 23 6  21 o 229.349 2.0243 527.165  6.5096  230.184 2.6352 228.513 3.0736 1.670486       4.048602 
1 1 1 23 6  23 o 85.078  1.6551 72.297   1.9464  84.303  2.0450 85.854  2.6030 -1.551926      3.310191 
1 1 1 23 6  25 o 65.497  2.2010 43.480   1.9052  67.282  2.3725 63.712  3.7080 3.569275       4.402074 
1 1 1 23 6  27 o 36.061  3.8923 13.404   1.8181  36.851  4.1584 35.270  6.5809 1.581001       7.784619 
1 1 1 23 6  29 o 19.167  4.8915 2.7885   1.7274  15.365  6.2802 22.968  7.5010 -7.603060      9.782921 
1 1 1 23 6  31 o 20.715  4.8025 4.1290   1.5975  22.972  7.2337 18.457  6.3190 4.515429       9.605000 
1 1 1 23 6  33 o 75.928  1.9624 57.926   2.1051  78.396  2.7692 73.461  2.7814 4.935326       3.924834 
1 1 1 23 6  35 o 46.069  3.2254 21.280   2.0587  42.674  4.1894 49.464  4.9052 -6.789322      6.450779 
1 1 1 23 6  37 o 21.587  5.3663 4.5134   1.9454  20.290  6.7361 22.884  8.3556 -2.594379      10.73268 
1 1 1 23 6  39 o 42.477  4.7077 20.689   2.4758  48.076  4.3828 36.879  8.3330 11.19766       9.415305 
1 1 1 23 6  41 o 26.137  5.6276 8.1045   2.2662  26.608  7.9969 25.666  7.9200 0.9421997      11.25513 
1 1 1 23 6  43 o 20.176  5.1233 3.8891   2.0897  24.115  7.3108 16.237  7.1797 7.878244       10.24669 
1 1 1 23 6  45 o 14.683  4.7231 -0.4470  1.8816  11.297  5.2769 18.069  7.8347 -6.771754      9.446130 
1 1 1 23 6  47 o 14.843  4.7953 -0.4478  2.2566  15.041  6.6110 14.646  6.9479 0.3948307      9.590609 
1 1 1 23 7  0  o 177.619 2.6975 315.804  9.5776  177.619 2.6975 ?       ?      0.000000       0.000000 
1 1 1 23 7  2  o 233.418 2.8908 542.635  9.0663  229.984 3.3038 236.853 4.7446 -6.869629      5.781532 
1 1 1 23 7  4  o 300.991 2.7448 907.171  11.589  301.140 4.1558 300.843 3.5868 0.2974548      5.489606 
1 1 1 23 7  6  o 225.105 2.2560 506.666  7.1717  229.280 3.2582 220.931 3.1213 8.349091       4.512038 
1 1 1 23 7  8  o 138.494 2.1817 192.472  3.7263  139.107 2.0655 137.881 3.8436 1.226868       4.363441 
1 1 1 23 7  10 o 185.215 1.6484 343.977  4.2170  186.847 2.0162 183.583 2.6085 3.264420       3.296869 
1 1 1 23 7  12 o 207.430 1.8803 429.700  5.3231  206.068 2.2309 208.792 3.0275 -2.723358      3.760699 
1 1 1 23 7  14 o 212.191 1.9364 450.697  5.7148  212.301 2.4361 212.081 3.0107 0.2201843      3.872814 
1 1 1 23 7  16 o 107.881 1.4778 116.726  2.2056  108.954 1.8167 106.809 2.3314 2.144928       2.955665 
1 1 1 23 7  18 o 48.908  1.7623 23.924   1.1997  48.718  2.2281 49.099  2.7309 -0.3817711     3.524509 
1 1 1 23 7  20 o 95.776  1.5163 91.889   2.0253  96.185  1.9251 95.368  2.3433 0.8163223      3.032678 
1 1 1 23 7  22 o 135.093 1.4911 182.581  2.8238  134.654 1.9441 135.532 2.2613 -0.8780518     2.982157 
1 1 1 23 7  24 o 171.965 1.7626 297.074  4.1920  174.239 2.1621 169.691 2.7844 4.548492       3.525285 
1 1 1 23 7  26 o 135.797 1.7391 184.636  3.2760  135.358 2.1699 136.236 2.7183 -0.8780060     3.478160 
1 1 1 23 7  28 o 96.952  1.8033 92.356   2.3384  92.003  2.0820 101.902 2.9450 -9.899124      3.606604 
1 1 1 23 7  30 o 115.366 1.9080 133.010  3.0411  113.591 2.3609 117.140 2.9979 -3.549789      3.815912 
1 1 1 23 7  32 f 113.778 2.0693 129.455  3.0761  112.544 2.2126 115.011 3.4976 -2.466736      4.138668 
1 1 1 23 7  34 o 41.673  3.8388 18.008   2.1469  43.286  4.2778 40.060  6.3755 3.226097       7.677673 
1 1 1 23 7  36 o 48.412  2.7860 24.084   1.8787  51.292  3.4856 45.532  4.3472 5.760159       5.572049 
1 1 1 23 7  38 o 22.782  5.1970 5.6699   1.9070  24.686  7.5640 20.879  7.1288 3.806601       10.39393 
1 1 1 23 7  40 o 16.788  4.8991 1.5865   1.8787  16.284  6.7374 17.293  7.1143 -1.008701      9.798267 
1 1 1 23 7  42 o 61.521  2.3120 39.012   2.0108  61.543  3.3200 61.499  3.2185 0.4373169E-01  4.623972 
1 1 1 23 7  44 o 57.730  2.7778 35.147   2.2555  58.715  4.1324 56.745  3.7132 1.969940       5.555592 
1 1 1 23 7  46 o 16.087  5.1296 0.8200   2.2583  14.139  6.2817 18.035  8.1112 -3.896437      10.25918 
1 1 1 23 8  1  o 93.006  2.7896 86.349   3.6578  96.739  4.0262 89.273  3.8622 7.465775       5.579163 
1 1 1 23 8  3  o 62.830  1.5475 39.278   1.3542  64.503  2.3757 61.157  1.9837 3.346581       3.094993 
1 1 1 23 8  5  f 180.994 2.4619 327.868  6.0681  180.800 2.8959 181.188 3.9821 -0.3882294     4.923741 
1 1 1 23 8  7  o 154.546 2.2403 236.286  4.2685  151.576 2.1483 157.515 3.9320 -5.939331      4.480626 
1 1 1 23 8  9  o 235.616 2.5284 548.660  7.3596  230.583 2.4368 240.650 4.4309 -10.06754      5.056788 
1 1 1 23 8  11 o 234.406 2.4255 550.298  7.2868  234.611 2.4766 234.202 4.1712 0.4093475      4.851070 
1 1 1 23 8  13 o 48.596  3.5324 24.002   1.4802  49.247  1.9448 47.945  6.7919 1.301678       7.064873 
1 1 1 23 8  15 o 71.695  2.0623 51.752   1.7734  72.342  1.8535 71.048  3.6847 1.294006       4.124586 
1 1 1 23 8  17 o 147.602 2.0142 221.835  3.7945  152.573 2.0088 142.632 3.4918 9.941483       4.028329 
1 1 1 23 8  19 o 71.920  2.1066 50.709   1.9503  68.890  2.2244 74.950  3.5780 -6.059570      4.213112 
1 1 1 23 8  21 o 121.275 1.8689 145.707  2.9085  118.741 1.9358 123.808 3.1975 -5.066818      3.737808 
1 1 1 23 8  23 o 155.532 1.9516 241.411  3.8320  154.551 1.9417 156.512 3.3861 -1.960846      3.903292 
1 1 1 23 8  25 o 89.297  2.4140 78.726   2.5231  87.328  2.1204 91.267  4.3375 -3.939224      4.828056 
1 1 1 23 8  27 o 64.451  2.1496 41.794   1.9344  65.411  2.7332 63.492  3.3186 1.919029       4.299278 
1 1 1 23 8  29 o 96.246  2.0289 94.153   2.6952  101.749 2.4474 90.743  3.2367 11.00568       4.057843 
1 1 1 23 8  31 o 98.298  1.8655 97.072   2.5761  99.002  2.4508 97.593  2.8133 1.409096       3.731067 
1 1 1 23 8  33 o 85.344  1.7805 73.417   2.1347  87.718  2.3293 82.969  2.6935 4.749474       3.560968 
1 1 1 23 8  35 o 24.642  4.6644 6.5766   1.6601  23.832  6.6924 25.451  6.4991 -1.618927      9.328831 
1 1 1 23 8  37 o 80.786  2.1313 66.322   2.4246  83.384  2.8333 78.189  3.1848 5.194740       4.262666 
1 1 1 23 8  39 o 32.615  4.3083 11.704   1.8964  31.250  5.7305 33.980  6.4347 -2.729908      8.616517 
1 1 1 23 8  41 o 15.058  4.7355 -0.6483  2.0629  15.776  6.7684 14.340  6.6249 1.436458       9.471051 
1 1 1 23 8  43 o 18.144  5.1011 2.5966   1.9865  14.790  6.4445 21.497  7.9090 -6.707458      10.20214 
1 1 1 23 8  45 o 12.825  4.2507 -2.8033  1.9986  13.803  6.2509 11.848  5.7620 1.955718       8.501436 
1 1 1 23 9  0  o 91.871  4.7529 85.176   8.6837  91.871  4.7529 ?       ?      0.000000       0.000000 
1 1 1 23 9  2  o 81.935  2.9747 67.114   3.4373  83.953  4.3351 79.918  4.0747 4.035522       5.949479 
1 1 1 23 9  4  o 41.819  3.6509 16.798   1.1428  40.424  1.7375 43.214  7.0921 -2.790905      7.301857 
1 1 1 23 9  6  o 173.387 2.4181 301.439  5.1977  173.885 2.3134 172.890 4.2471 0.9945984      4.836263 
1 1 1 23 9  8  o 339.971 3.3370 1148.48  14.576  334.376 3.4563 345.565 5.7094 -11.18909      6.674073 
1 1 1 23 9  10 o 369.349 2.7234 1366.58  13.792  369.664 3.2645 369.035 4.3601 0.6293640      5.446795 
1 1 1 23 9  12 o 141.035 1.5182 198.852  2.8451  140.757 1.6784 141.314 2.5303 -0.5576019     3.036329 
1 1 1 23 9  14 o 95.272  1.4027 91.786   1.8164  98.563  1.6195 91.982  2.2907 6.581146       2.805425 
1 1 1 23 9  16 o 168.663 1.6695 284.572  3.9083  168.319 2.0864 169.007 2.6068 -0.6880951     3.338923 
1 1 1 23 9  18 o 147.344 1.5985 216.428  3.1764  145.680 1.8408 149.008 2.6139 -3.327499      3.197030 
1 1 1 23 9  20 o 141.626 1.6078 201.093  3.1465  142.479 1.9718 140.773 2.5400 1.705414       3.215527 
1 1 1 23 9  22 o 148.883 1.7316 222.334  3.5440  149.893 2.0873 147.873 2.7635 2.020523       3.463161 
1 1 1 23 9  24 o 89.377  1.7319 80.489   2.1634  92.780  2.2022 85.975  2.6736 6.804222       3.463787 
1 1 1 23 9  26 o 215.495 1.8808 466.039  5.5959  216.393 2.3015 214.597 2.9754 1.795715       3.761620 
1 1 1 23 9  28 o 124.596 1.6934 155.143  2.8247  123.583 1.9116 125.609 2.7958 -2.026596      3.386867 
1 1 1 23 9  30 o 46.975  2.6961 22.202   1.7787  46.726  3.5529 47.223  4.0563 -0.4973564     5.392247 
1 1 1 23 9  32 o 64.077  2.4863 41.339   2.1892  63.612  3.0113 64.543  3.9571 -0.9310341     4.972548 
1 1 1 23 9  34 o 23.287  4.9208 5.7329   1.7308  24.121  6.0849 22.454  7.7349 1.667542       9.841516 
1 1 1 23 9  36 o 49.779  2.5899 25.242   1.8192  51.013  3.5046 48.546  3.8143 2.467091       5.179869 
1 1 1 23 9  38 o 18.103  4.9332 2.7478   1.7855  18.032  6.8747 18.174  7.0770 -0.1419144     9.866341 
1 1 1 23 9  40 o 32.433  4.5479 11.888   2.0067  33.009  6.0266 31.857  6.8127 1.152487       9.095760 
1 1 1 23 9  42 o 35.785  4.3437 14.434   2.1156  35.707  5.3645 35.862  6.8332 -0.1548996     8.687390 
1 1 1 23 9  44 o 24.772  5.1670 7.4968   2.1634  31.817  7.3644 17.728  7.2498 14.08851       10.33406 
1 1 1 23 9  46 o 18.090  5.4382 3.0435   2.2424  17.494  6.6311 18.687  8.6211 -1.192493      10.87636 
1 1 1 23 10 1  o 82.735  3.4472 68.363   3.9729  81.252  4.4007 84.217  5.3071 -2.965508      6.894316 
1 1 1 23 10 3  o 220.363 3.0411 484.539  9.4249  213.035 4.1061 227.690 4.4868 -14.65532      6.082103 
1 1 1 23 10 5  o 141.608 2.3643 195.116  3.8778  136.140 2.0636 147.076 4.2545 -10.93550      4.728562 
1 1 1 23 10 7  f 85.936  2.0995 74.790   2.1283  87.445  1.8254 84.428  3.7814 3.017578       4.198928 
1 1 1 23 10 9  o 292.957 2.7669 863.213  10.976  296.631 3.1857 289.284 4.5247 7.346497       5.533726 
1 1 1 23 10 11 o 220.251 2.3782 494.220  6.1861  225.978 2.0626 214.523 4.2860 11.45454       4.756487 
1 1 1 23 10 13 o 173.065 2.0081 300.346  4.1573  173.563 1.8026 172.567 3.5890 0.9966888      4.016298 
1 1 1 23 10 15 o 102.464 1.9785 106.715  2.3837  104.774 1.7064 100.155 3.5701 4.618942       3.956931 
1 1 1 23 10 17 o 60.659  1.7058 37.260   1.4189  63.298  2.0175 58.021  2.7512 5.277649       3.411630 
1 1 1 23 10 19 o 93.884  1.6108 88.886   2.0761  96.447  1.9199 91.322  2.5870 5.125328       3.221543 
1 1 1 23 10 21 o 70.475  1.8567 49.947   1.6761  71.087  1.8862 69.863  3.1988 1.223526       3.713489 
1 1 1 23 10 23 o 85.233  1.6580 73.098   1.9608  87.118  2.0522 83.349  2.6046 3.769600       3.315937 
1 1 1 23 10 25 o 140.610 1.8033 198.710  3.4790  142.016 2.1581 139.204 2.8897 2.811600       3.606622 
1 1 1 23 10 27 o 176.169 1.9360 311.206  4.8103  175.018 2.6267 177.320 2.8447 -2.301819      3.871923 
1 1 1 23 10 29 f 142.339 1.7851 203.651  3.5574  144.409 2.2992 140.268 2.7312 4.141083       3.570125 
1 1 1 23 10 31 o 105.492 1.9049 111.878  2.8410  105.002 2.7364 105.983 2.6508 -0.9807053     3.809825 
1 1 1 23 10 33 o 42.702  2.9074 18.507   1.7553  42.116  4.0934 43.289  4.1300 -1.172497      5.814847 
1 1 1 23 10 35 f 28.141  4.7563 8.7118   1.8830  30.951  6.2013 25.330  7.2133 5.621275       9.512517 
1 1 1 23 10 37 o 21.503  5.4636 4.5571   2.0870  22.024  6.8323 20.983  8.5277 1.040695       10.92711 
1 1 1 23 10 39 o 46.666  3.6139 22.147   2.1537  43.322  3.8320 50.010  6.1284 -6.688053      7.227866 
1 1 1 23 10 41 o 27.965  5.4470 8.9974   2.0870  24.077  6.6701 31.852  8.6132 -7.775068      10.89397 
1 1 1 23 10 43 o 17.467  5.2819 1.8233   2.1851  15.649  6.6194 19.284  8.2327 -3.635608      10.56378 
1 1 1 23 10 45 o 21.898  5.3569 6.1041   2.2329  26.470  7.7254 17.326  7.4232 9.143980       10.71381 
1 1 1 23 11 0  f 113.478 3.5525 129.233  8.0452  113.478 3.5525 ?       ?      0.000000       0.000000 
1 1 1 23 11 2  o 142.392 2.6000 202.763  5.2287  137.243 3.6754 147.542 3.6785 -10.29915      5.199956 
1 1 1 23 11 4  o 194.500 3.0292 378.106  8.2971  198.826 4.4638 190.174 4.0961 8.651520       6.058365 
1 1 1 23 11 6  o 178.838 2.5068 319.024  5.4609  177.801 2.3342 179.875 4.4372 -2.074112      5.013676 
1 1 1 23 11 8  o 163.801 2.2189 268.849  4.5676  164.103 2.1789 163.500 3.8662 0.6038513      4.437897 
1 1 1 23 11 10 o 160.234 2.0678 259.308  3.7071  162.124 1.6541 158.343 3.7905 3.781799       4.135672 
1 1 1 23 11 12 o 283.005 2.6514 807.500  9.2493  286.140 2.4992 279.871 4.6769 6.268677       5.302800 
1 1 1 23 11 14 o 137.384 2.0880 189.318  3.0801  137.728 1.5762 137.040 3.8672 0.6884460      4.176076 
1 1 1 23 11 16 o 175.232 2.1622 309.161  4.3516  176.535 1.8084 173.928 3.9281 2.607376       4.324360 
1 1 1 23 11 18 o 109.564 2.1610 117.868  2.5540  106.995 1.6709 112.134 3.9859 -5.139008      4.321955 
1 1 1 23 11 20 o 62.260  2.7811 38.681   1.7677  61.975  1.9575 62.545  5.2064 -0.5707016     5.562261 
1 1 1 23 11 22 o 97.539  2.0054 96.738   2.3936  99.950  1.8526 95.129  3.5574 4.821205       4.010853 
1 1 1 23 11 24 o 100.031 1.8704 100.289  2.2695  100.070 1.7228 99.992  3.3205 0.7848358E-01  3.740807 
1 1 1 23 11 26 o 103.847 2.1577 109.612  2.5360  105.698 1.7518 101.996 3.9438 3.702072       4.315423 
1 1 1 23 11 28 o 92.367  1.9622 85.844   2.4538  93.145  2.2621 91.589  3.2068 1.556000       3.924428 
1 1 1 23 11 30 o 96.141  2.0068 94.414   2.5848  100.598 2.2215 91.684  3.3428 8.914436       4.013662 
1 1 1 23 11 32 o 88.013  2.2032 78.393   2.5844  89.048  2.4379 86.977  3.6705 2.070839       4.406369 
1 1 1 23 11 34 o 39.432  3.5822 15.227   1.7734  36.158  3.7084 42.706  6.1299 -6.548439      7.164368 
1 1 1 23 11 36 o 24.242  5.1583 6.5065   1.8841  24.687  6.4103 23.797  8.0833 0.8901520      10.31661 
1 1 1 23 11 38 f 20.078  5.6263 3.3269   2.3188  19.740  7.3124 20.417  8.5527 -0.6766911     11.25258 
1 1 1 23 11 40 o 41.886  3.9992 18.847   2.2042  40.858  4.3756 42.914  6.6954 -2.056034      7.998391 
1 1 1 23 11 42 o 25.529  5.2833 7.5084   1.8018  22.469  5.8943 28.590  8.7698 -6.121504      10.56652 
1 1 1 23 11 44 o 20.063  5.4682 4.8344   2.1892  20.258  7.3350 19.868  8.1119 0.3905125      10.93644 
1 1 1 23 12 1  o 171.078 2.9418 292.834  7.1077  175.115 4.2296 167.042 4.0900 8.072937       5.883668 
1 1 1 23 12 3  o 126.634 2.7292 160.445  4.8677  125.285 3.6694 127.983 4.0411 -2.698036      5.458453 
1 1 1 23 12 5  o 148.488 2.0615 222.140  3.7419  150.098 1.9143 146.878 3.6516 3.220047       4.122949 
1 1 1 23 12 7  o 92.395  2.1215 83.461   2.2802  89.390  1.8572 95.400  3.8150 -6.009979      4.242982 
1 1 1 23 12 9  o 171.566 2.1291 293.321  4.7524  169.901 2.2549 173.230 3.6122 -3.329147      4.258169 
1 1 1 23 12 11 o 138.499 2.1000 191.296  3.2181  137.867 1.6673 139.132 3.8549 -1.264694      4.200041 
1 1 1 23 12 13 o 283.912 2.6878 816.073  9.3504  288.801 2.4983 279.022 4.7598 9.778961       5.375603 
1 1 1 23 12 15 o 199.930 2.2488 405.806  5.3348  203.989 1.9720 195.871 4.0422 8.117706       4.497540 
1 1 1 23 12 17 f 90.527  2.1811 80.280   2.0464  88.308  1.5907 92.747  4.0618 -4.439087      4.362154 
1 1 1 23 12 19 o 151.197 1.9849 229.060  3.4735  151.358 1.6874 151.037 3.5934 0.3211670      3.969829 
1 1 1 23 12 21 o 143.724 1.9691 205.858  3.5397  142.425 1.9277 145.023 3.4342 -2.598236      3.938230 
1 1 1 23 12 23 o 152.505 2.0320 233.146  3.7725  152.525 1.8838 152.484 3.6011 0.4090881E-01  4.064087 
1 1 1 23 12 25 o 91.222  2.0538 84.223   2.3083  92.635  1.9300 89.809  3.6259 2.825920       4.107536 
1 1 1 23 12 27 o 106.123 2.1182 114.314  2.9039  108.624 2.1749 103.622 3.6355 5.001884       4.236395 
1 1 1 23 12 29 o 70.494  2.6365 52.187   2.1283  74.774  2.1348 66.214  4.8215 8.560097       5.272996 
1 1 1 23 12 31 o 121.302 2.1397 149.329  3.2506  123.226 2.0726 119.379 3.7440 3.847389       4.279410 
1 1 1 23 12 33 o 97.814  2.3120 98.558   2.8229  101.377 2.2044 94.251  4.0647 7.125603       4.623981 
1 1 1 23 12 35 o 24.896  5.6670 6.4300   2.1044  21.606  6.8550 28.185  9.0261 -6.578911      11.33403 
1 1 1 23 12 37 o 23.046  5.0339 5.5960   2.0585  27.829  6.3350 18.264  7.8249 9.565191       10.06788 
1 1 1 23 12 39 o 16.561  4.8758 1.5476   1.8398  15.372  6.3636 17.750  7.3890 -2.378243      9.751555 
1 1 1 23 12 41 o 17.633  5.2210 2.0747   2.0691  16.505  6.6168 18.762  8.0779 -2.257746      10.44194 
1 1 1 23 12 43 o 22.168  5.3035 6.1747   2.1409  25.627  7.1863 18.710  7.8015 6.917194       10.60694 
1 1 1 23 12 45 o 18.788  5.2595 4.2722   2.0897  19.412  7.2881 18.164  7.5850 1.247522       10.51896 
1 1 1 23 13 0  o 563.415 7.0514 3185.63  79.430  563.415 7.0514 ?       ?      0.000000       0.000000 
1 1 1 23 13 2  o 340.075 3.6844 1158.53  17.663  345.981 5.4073 334.169 5.0061 11.81210       7.368828 
1 1 1 23 13 4  f 52.703  5.1550 27.984   3.8140  52.437  7.7930 52.970  6.7503 -0.5322762     10.31007 
1 1 1 23 13 6  o 90.687  2.5672 84.267   2.3250  92.962  1.7171 88.411  4.8387 4.550774       5.134360 
1 1 1 23 13 8  o 131.173 2.0673 171.916  3.4215  130.726 2.0514 131.621 3.5898 -0.8945313     4.134612 
1 1 1 23 13 10 o 90.585  2.2234 82.321   2.0464  90.811  1.5469 90.359  4.1691 0.4513245      4.446818 
1 1 1 23 13 12 o 95.086  2.3290 87.109   2.1227  91.438  1.5362 98.735  4.3975 -7.296532      4.658094 
1 1 1 23 13 14 o 93.765  2.3148 87.475   2.2290  93.092  1.6461 94.437  4.3271 -1.344719      4.629676 
1 1 1 23 13 16 o 133.105 2.1369 175.467  3.2558  131.108 1.8019 135.103 3.8754 -3.995560      4.273802 
1 1 1 23 13 18 f 292.272 2.6032 850.044  9.5423  288.513 2.5672 296.032 4.5294 -7.519745      5.206367 
1 1 1 23 13 20 o 136.622 1.9231 186.952  3.0927  136.634 1.6823 136.611 3.4587 0.2296448E-01  3.846123 
1 1 1 23 13 22 o 75.710  2.4560 60.088   2.0242  79.940  1.8371 71.481  4.5556 8.458527       4.912045 
1 1 1 23 13 24 f 78.516  2.3515 62.557   2.1991  79.837  2.0794 77.196  4.2183 2.641167       4.702994 
1 1 1 23 13 26 o 60.894  2.4492 37.321   1.9155  61.079  2.5089 60.709  4.2070 0.3701477      4.898304 
1 1 1 23 13 28 o 32.350  4.8133 10.990   2.0318  33.297  4.9857 31.404  8.2348 1.893505       9.626548 
1 1 1 23 13 30 f 39.726  4.3013 16.759   1.8412  41.359  3.2420 38.093  7.9683 3.266361       8.602533 
1 1 1 23 13 32 o 54.456  3.6633 29.531   2.6338  50.721  4.1542 58.191  6.0349 -7.469410      7.326527 
1 1 1 23 13 34 o 47.352  3.7851 24.170   2.2520  51.597  3.5887 43.107  6.6655 8.490265       7.570196 
1 1 1 23 13 36 o 19.322  5.5152 2.5327   2.1213  15.674  6.4893 22.969  8.9195 -7.294733      11.03034 
1 1 1 23 13 38 o 36.336  4.4000 13.731   1.9988  32.481  4.7178 40.192  7.4284 -7.710461      8.799916 
1 1 1 23 13 40 f 26.735  5.3413 8.6029   2.0188  27.319  6.0059 26.151  8.8343 1.167646       10.68253 
1 1 1 23 13 42 o 16.915  5.0467 1.8633   1.9832  16.304  6.5072 17.525  7.7157 -1.220760      10.09334 
1 1 1 23 13 44 o 15.823  4.9754 0.7386   2.2227  15.875  6.6625 15.771  7.3913 0.1040697      9.950864 
1 1 1 23 14 1  o 258.761 3.4819 671.712  12.736  264.573 4.8749 252.948 4.9728 11.62570       6.963732 
1 1 1 23 14 3  o 426.005 4.6632 1825.28  28.091  430.773 6.5959 421.238 6.5937 9.535309       9.326438 
1 1 1 23 14 5  o 389.319 3.4809 1503.22  17.085  381.479 3.4814 397.159 6.0288 -15.67905      6.961809 
1 1 1 23 14 7  o 144.564 2.4212 205.210  3.9874  140.829 2.0403 148.299 4.3916 -7.469879      4.842432 
1 1 1 23 14 9  o 269.346 2.8260 726.170  9.8485  268.585 2.9478 270.108 4.8223 -1.523621      5.651955 
1 1 1 23 14 11 o 173.922 2.0313 303.434  4.2836  174.423 1.8669 173.421 3.6082 1.002197       4.062561 
1 1 1 23 14 13 o 92.329  2.2241 86.347   2.1786  93.571  1.6377 91.088  4.1358 2.483078       4.448228 
1 1 1 23 14 15 f 166.193 2.0503 274.770  3.9846  164.637 1.7840 167.749 3.6921 -3.112549      4.100536 
1 1 1 23 14 17 o 102.395 1.9189 107.184  2.2986  105.496 1.6342 99.294  3.4724 6.201439       3.837738 
1 1 1 23 14 19 o 101.316 2.1735 105.990  2.4507  105.303 1.6978 97.330  4.0017 7.972763       4.346987 
1 1 1 23 14 21 o 87.167  2.8705 81.130   2.3524  92.726  1.7215 81.608  5.4768 11.11760       5.740976 
1 1 1 23 14 23 o 147.251 2.0744 216.240  3.6608  146.018 1.8803 148.484 3.6981 -2.465805      4.148708 
1 1 1 23 14 25 o 153.528 2.0404 236.527  3.9692  153.554 2.0375 153.503 3.5356 0.5108643E-01  4.080705 
1 1 1 23 14 27 o 14.406  4.5706 -1.1876  1.7431  12.890  5.5985 15.921  7.2262 -3.030472      9.141212 
1 1 1 23 14 29 o 82.760  2.4000 70.512   2.4463  85.904  2.2298 79.615  4.2505 6.288704       4.799914 
1 1 1 23 14 31 o 23.487  5.2750 5.6867   1.9454  24.339  6.4526 22.635  8.3467 1.703573       10.54998 
1 1 1 23 14 33 o 14.538  4.6432 -1.3063  1.7962  11.426  5.2687 17.650  7.6471 -6.224471      9.286363 
1 1 1 23 14 35 o 13.714  4.5342 -3.2537  2.0117  12.914  5.7209 14.513  7.0362 -1.599478      9.068406 
1 1 1 23 14 37 o 23.360  6.0738 5.4328   2.6248  24.446  7.4357 22.275  9.6061 2.170679       12.14769 
1 1 1 23 14 39 o 28.800  6.3106 9.9363   2.5798  25.099  7.3932 32.502  10.229 -7.403082      12.62114 
1 1 1 23 14 41 o 14.871  4.6341 -0.0618  1.9052  15.083  6.3110 14.659  6.7874 0.4239674      9.268106 
1 1 1 23 14 43 o 15.117  4.8144 -0.0111  2.1802  15.416  6.7485 14.819  6.8681 0.5964851      9.628701 
1 1 1 23 15 0  o 335.621 5.0441 1129.26  33.841  335.621 5.0441 ?       ?      0.000000       0.000000 
1 1 1 23 15 2  o 254.098 3.0363 645.036  10.873  243.262 4.1996 264.935 4.3863 -21.67236      6.072581 
1 1 1 23 15 4  o 157.081 2.9746 247.281  6.6047  154.408 4.1765 159.753 4.2366 -5.344971      5.949156 
1 1 1 23 15 6  o 153.110 2.2625 231.071  4.1281  149.524 2.0497 156.696 4.0340 -7.172073      4.524919 
1 1 1 23 15 8  o 145.078 2.2352 212.035  4.1875  146.789 2.3054 143.367 3.8301 3.422485       4.470436 
1 1 1 23 15 10 o 146.659 1.9739 216.011  3.8045  147.620 2.1194 145.697 3.3306 1.922638       3.947779 
1 1 1 23 15 12 o 179.706 2.2356 319.988  4.6924  176.953 1.9485 182.458 4.0244 -5.505478      4.471265 
1 1 1 23 15 14 o 110.412 2.1900 125.483  2.5961  114.098 1.6229 106.726 4.0682 7.371986       4.379935 
1 1 1 23 15 16 o 35.850  4.8750 13.249   1.6361  36.407  2.9814 35.292  9.2829 1.115002       9.749969 
1 1 1 23 15 18 o 75.819  2.2609 58.174   1.9857  76.854  1.9108 74.784  4.0982 2.069977       4.521816 
1 1 1 23 15 20 o 194.885 1.9744 379.653  4.7872  193.967 1.9093 195.803 3.4566 -1.836731      3.948850 
1 1 1 23 15 22 o 146.577 2.2605 218.706  3.8590  149.635 1.9202 143.520 4.0930 6.115265       4.521025 
1 1 1 23 15 24 o 84.165  2.1882 72.242   2.2389  86.351  1.9964 81.978  3.8944 4.373711       4.376301 
1 1 1 23 15 26 o 39.786  3.4534 16.125   1.7921  40.449  3.6306 39.122  5.8755 1.327404       6.906749 
1 1 1 23 15 28 o 20.711  5.1832 3.4880   1.9670  22.528  6.4635 18.895  8.1047 3.633684       10.36642 
1 1 1 23 15 30 o 57.387  3.3794 34.147   2.0710  58.869  2.4946 55.906  6.2816 2.963482       6.758831 
1 1 1 23 15 32 o 49.963  3.0862 25.851   2.1156  52.447  3.6523 47.478  4.9759 4.968311       6.172410 
1 1 1 23 15 34 o 22.324  5.5762 5.1117   2.0691  20.284  6.8695 24.365  8.7856 -4.080889      11.15241 
1 1 1 23 15 36 o 38.521  3.7129 15.612   1.9500  37.295  4.4513 39.747  5.9437 -2.452099      7.425730 
1 1 1 23 15 38 o 31.743  4.8901 12.537   2.0987  38.714  4.4531 24.772  8.7075 13.94212       9.780126 
1 1 1 23 15 40 o 35.907  4.6536 15.104   2.2915  37.412  5.8027 34.401  7.2768 3.010483       9.307185 
1 1 1 23 15 42 o 14.851  4.7565 -0.2001  2.1004  14.005  6.3012 15.697  7.1268 -1.692082      9.512936 
1 1 1 23 16 1  o 208.780 3.1676 437.041  9.3409  205.047 4.3906 212.513 4.5669 -7.465881      6.335170 
1 1 1 23 16 3  o 200.705 3.0370 404.128  8.6156  199.496 4.2248 201.915 4.3639 -2.418671      6.073913 
1 1 1 23 16 5  o 133.002 1.9760 176.080  3.2461  131.691 1.8909 134.313 3.4703 -2.622467      3.952041 
1 1 1 23 16 7  o 77.057  2.8204 61.570   2.1424  79.879  1.8385 74.234  5.3328 5.645248       5.640776 
1 1 1 23 16 9  o 84.541  2.3067 73.912   1.8819  87.367  1.4617 81.715  4.3757 5.652641       4.613404 
1 1 1 23 16 11 o 189.829 2.2594 361.280  4.9014  190.065 1.8813 189.593 4.1087 0.4721375      4.518888 
1 1 1 23 16 13 o 83.770  2.3230 71.872   1.9503  85.818  1.5624 81.723  4.3753 4.095299       4.645925 
1 1 1 23 16 15 o 144.661 2.1596 205.825  3.5483  141.178 1.8091 148.145 3.9221 -6.967163      4.319220 
1 1 1 23 16 17 o 173.923 2.1282 306.048  4.3559  176.357 1.8465 171.489 3.8350 4.868698       4.256371 
1 1 1 23 16 19 o 160.532 2.1032 258.908  3.9578  161.029 1.8240 160.034 3.7903 0.9945068      4.206340 
1 1 1 23 16 21 o 154.078 1.9940 242.127  3.8988  159.084 1.9667 149.073 3.4694 10.01071       3.988028 
1 1 1 23 16 23 o 132.134 1.9334 175.471  3.4169  132.750 2.1644 131.519 3.2042 1.231033       3.866742 
1 1 1 23 16 25 f 51.515  2.6738 26.731   1.9469  50.219  3.8143 52.810  3.7481 -2.590206      5.347627 
1 1 1 23 16 27 o 39.257  3.1636 15.619   1.7507  38.720  4.2875 39.795  4.6530 -1.075062      6.327177 
1 1 1 23 16 29 o 35.229  4.6869 13.594   2.1469  39.057  4.7409 31.400  8.0866 7.657030       9.373834 
1 1 1 23 16 31 o 84.935  2.7158 72.833   3.0086  83.676  2.8997 86.195  4.5928 -2.518768      5.431530 
1 1 1 23 16 33 o 44.730  3.4609 21.356   1.9646  47.158  3.3850 42.302  6.0376 4.855499       6.921713 
1 1 1 23 16 35 o 24.278  5.2783 6.7062   2.1240  27.955  6.7008 20.602  8.1572 7.353453       10.55656 
1 1 1 23 16 37 o 25.685  5.3726 7.9670   2.1156  27.526  6.9528 23.844  8.1926 3.681812       10.74523 
1 1 1 23 16 39 f 18.481  5.0039 3.0527   1.9256  20.190  6.7361 16.771  7.4013 3.419109       10.00770 
1 1 1 23 16 41 o 19.149  5.4215 3.8170   2.3091  20.832  7.6782 17.467  7.6560 3.364470       10.84291 
1 1 1 23 17 0  o 181.208 3.6679 329.213  13.281  181.208 3.6679 ?       ?      0.000000       0.000000 
1 1 1 23 17 2  f 67.471  3.9193 45.738   3.7284  71.522  5.4457 63.419  5.6381 8.102482       7.838588 
1 1 1 23 17 4  o 168.799 2.3101 282.049  4.6390  165.816 2.0794 171.783 4.1258 -5.967133      4.620171 
1 1 1 23 17 6  o 173.725 2.4258 304.007  5.3712  175.428 2.4386 172.021 4.1943 3.406342       4.851696 
1 1 1 23 17 8  o 102.972 2.4445 104.948  3.2335  100.435 2.5430 105.509 4.1756 -5.074539      4.889020 
1 1 1 23 17 10 o 152.140 2.1211 230.319  3.6338  150.891 1.7349 153.389 3.8713 -2.498367      4.242246 
1 1 1 23 17 12 o 124.862 2.1380 152.045  2.7862  121.151 1.5811 128.573 3.9729 -7.422348      4.275918 
1 1 1 23 17 14 o 100.861 2.3564 101.508  2.7191  100.262 1.9742 101.459 4.2794 -1.197212      4.712805 
1 1 1 23 17 16 o 71.077  1.7547 50.430   1.7274  69.972  2.1900 72.182  2.7422 -2.209801      3.509408 
1 1 1 23 17 18 o 99.489  1.5552 99.257   2.1409  99.927  1.9169 99.051  2.4496 0.8757324      3.110456 
1 1 1 23 17 20 o 35.155  3.1950 12.609   1.5585  37.353  3.9316 32.957  5.0372 4.396381       6.389913 
1 1 1 23 17 22 o 79.694  1.7869 63.761   2.0108  81.220  2.4370 78.168  2.6139 3.051979       3.573704 
1 1 1 23 17 24 o 91.485  1.6783 83.963   2.1709  92.567  2.3452 90.403  2.4014 2.163605       3.356596 
1 1 1 23 17 26 o 54.501  3.3134 30.168   2.5524  55.709  4.6992 53.293  4.6726 2.415955       6.626892 
1 1 1 23 17 28 o 32.261  4.4255 10.986   1.9773  29.163  6.7045 35.359  5.7785 -6.195469      8.851048 
1 1 1 23 17 30 f 63.278  2.4987 40.673   2.2348  62.017  3.6035 64.540  3.4626 -2.522606      4.997471 
1 1 1 23 17 32 o 23.365  6.0133 4.8962   2.3936  17.264  6.9603 29.465  9.8079 -12.20099      12.02668 
1 1 1 23 17 34 o 25.846  5.6855 7.8376   2.2968  25.007  7.9554 26.685  8.1248 -1.677649      11.37104 
1 1 1 23 17 36 f 52.878  3.2438 29.851   2.3735  54.804  3.9612 50.952  5.1379 3.852486       6.487622 
1 1 1 23 17 38 o 40.616  4.2245 18.426   2.4112  41.643  6.2865 39.589  5.6449 2.053345       8.448941 
1 1 1 23 17 40 o 18.845  5.6907 3.0010   2.3936  15.379  6.6277 22.310  9.2525 -6.931061      11.38135 
1 1 1 23 17 42 o 26.795  6.3138 11.110   2.7505  27.317  7.7951 26.272  9.9344 1.045538       12.62756 
1 1 1 23 18 1  o 83.546  3.3621 70.320   3.9577  80.406  5.0028 86.686  4.4931 -6.279884      6.724280 
1 1 1 23 18 3  o 84.638  2.4060 70.742   1.9949  83.402  1.6077 85.875  4.5355 -2.472702      4.812050 
1 1 1 23 18 5  o 149.704 2.0065 225.550  3.7981  151.087 1.9863 148.321 3.4870 2.766052       4.012995 
1 1 1 23 18 7  o 101.691 2.1936 106.361  2.7545  106.384 2.0406 96.998  3.8838 9.386208       4.387234 
1 1 1 23 18 9  o 33.735  5.3357 12.448   1.0971  35.901  1.7785 31.570  10.522 4.331541       10.67137 
1 1 1 23 18 11 o 96.719  1.5270 93.359   2.0354  95.579  1.8705 97.858  2.4142 -2.279442      3.054020 
1 1 1 23 18 13 o 53.386  1.8592 28.396   1.3931  51.243  2.4921 55.529  2.7597 -4.285847      3.718365 
1 1 1 23 18 15 o 79.623  1.5592 63.395   1.7507  78.066  2.1265 81.179  2.2810 -3.112549      3.118486 
1 1 1 23 18 17 o 68.474  1.7835 47.058   1.7240  66.096  2.6083 70.851  2.4332 -4.755676      3.567021 
1 1 1 23 18 19 o 33.367  3.1805 11.238   1.4998  33.361  4.5935 33.374  4.4003 -0.1324463E-01 6.361025 
1 1 1 23 18 21 o 76.184  1.8382 58.125   1.9711  75.109  2.4653 77.258  2.7273 -2.148621      3.676397 
1 1 1 23 18 23 o 30.611  4.0527 9.5918   1.7027  25.967  6.0146 35.255  5.4334 -9.287254      8.105378 
1 1 1 23 18 25 o 48.128  2.6775 23.253   1.7923  46.665  3.4207 49.591  4.1201 -2.926220      5.355082 
1 1 1 23 18 27 o 67.516  2.4196 46.265   2.2968  70.232  3.1820 64.800  3.6458 5.432213       4.839108 
1 1 1 23 18 29 o 22.579  5.1604 5.3526   1.8830  21.524  7.2550 23.634  7.3405 -2.110468      10.32076 
1 1 1 23 18 31 o 20.324  5.3986 3.6298   2.0123  23.618  8.4778 17.030  6.6863 6.588171       10.79722 
1 1 1 23 18 33 o 29.389  4.9657 9.9527   2.0113  30.475  6.0819 28.303  7.8513 2.171736       9.931369 
1 1 1 23 18 35 o 39.358  4.0724 16.977   2.2662  39.954  5.7532 38.763  5.7652 1.191219       8.144731 
1 1 1 23 18 37 o 21.027  5.6308 4.7817   2.2117  19.317  7.1828 22.737  8.6737 -3.420290      11.26164 
1 1 1 23 18 39 o 20.246  5.6663 4.1479   2.5761  23.103  8.2661 17.388  7.7524 5.714952       11.33259 
1 1 1 23 18 41 o 14.919  4.9136 -1.2156  2.5185  14.651  6.8200 15.188  7.0754 -0.5371971     9.827192 
1 1 1 23 19 0  o 308.722 5.0495 956.352  31.159  308.722 5.0495 ?       ?      0.000000       0.000000 
1 1 1 23 19 2  o 292.133 2.7828 861.516  10.571  296.278 2.9094 287.988 4.7446 8.289673       5.565608 
1 1 1 23 19 4  o 294.708 3.9712 875.632  12.872  295.906 3.1072 293.509 7.3094 2.396759       7.942419 
1 1 1 23 19 6  o 177.624 1.6955 315.805  4.2170  177.213 2.1979 178.036 2.5822 -0.8233643     3.390908 
1 1 1 23 19 8  o 128.851 1.5506 165.622  2.7572  127.039 1.9099 130.663 2.4433 -3.623863      3.101214 
1 1 1 23 19 10 o 131.059 1.5530 172.405  2.7807  132.108 1.8366 130.009 2.5047 2.098282       3.105930 
1 1 1 23 19 12 o 73.942  1.4988 54.833   1.5637  75.585  2.0274 72.299  2.2079 3.285988       2.997517 
1 1 1 23 19 14 o 176.456 1.7079 311.989  4.1174  176.421 2.0268 176.490 2.7495 -0.6814575E-01 3.415794 
1 1 1 23 19 16 o 161.186 1.8004 260.486  4.0505  161.148 2.2981 161.225 2.7722 -0.7785034E-01 3.600901 
1 1 1 23 19 18 o 89.365  1.8677 79.871   2.2566  88.595  2.1621 90.136  3.0460 -1.541153      3.735368 
1 1 1 23 19 20 o 79.110  1.8633 62.982   2.0707  81.221  2.4370 77.000  2.8194 4.220192       3.726644 
1 1 1 23 19 22 o 15.487  4.5901 0.4963   1.6866  14.796  6.2564 16.178  6.7181 -1.382270      9.180223 
1 1 1 23 19 24 o 74.721  2.0347 56.303   2.1271  75.780  2.6120 73.661  3.1205 2.119492       4.069423 
1 1 1 23 19 26 o 60.197  2.4073 36.682   2.0352  59.731  3.6345 60.664  3.1576 -0.9335175     4.814557 
1 1 1 23 19 28 o 53.893  2.8053 29.797   2.0761  55.321  3.3471 52.466  4.5029 2.855286       5.610629 
1 1 1 23 19 30 o 14.097  4.4280 -1.2506  1.8318  13.081  6.1369 15.113  6.3850 -2.031446      8.856056 
1 1 1 23 19 32 o 37.612  3.7813 15.061   2.0108  38.252  5.3415 36.971  5.3538 1.280617       7.562668 
1 1 1 23 19 34 o 25.060  5.3564 7.5189   2.1051  27.564  7.2969 22.557  7.8435 5.007141       10.71279 
1 1 1 23 19 36 f 38.878  4.3453 17.662   2.1987  31.625  7.3934 46.131  4.5676 -14.50620      8.690550 
1 1 1 23 19 38 o 20.407  5.5150 4.5433   2.2447  23.577  8.3803 17.238  7.1716 6.339451       11.03002 
1 1 1 23 19 40 o 16.053  4.9251 1.6031   2.0746  16.397  7.0111 15.708  6.9190 0.6888418      9.850283 
1 1 1 23 20 1  o 117.854 1.4608 138.757  2.3994  116.622 1.8615 119.086 2.2519 -2.464691      2.921696 
1 1 1 23 20 3  o 116.579 1.4226 136.566  2.3196  119.326 1.8193 113.832 2.1876 5.494080       2.845235 
1 1 1 23 20 5  o 88.319  1.4061 78.090   1.7553  88.357  1.9511 88.281  2.0251 0.7588196E-01  2.812139 
1 1 1 23 20 7  f 42.308  1.7351 18.149   1.0176  45.029  2.1270 39.587  2.7420 5.442570       3.470233 
1 1 1 23 20 9  o 81.533  1.6010 66.727   1.7744  82.064  1.8673 81.002  2.6012 1.062119       3.202094 
1 1 1 23 20 11 o 77.924  1.5570 61.145   1.6625  79.376  1.8501 76.472  2.5048 2.903442       3.114040 
1 1 1 23 20 13 o 43.966  2.4585 18.889   1.4898  50.539  3.5375 37.393  3.4151 13.14523       4.916994 
1 1 1 23 20 15 o 113.756 1.6960 129.717  2.6832  113.675 2.1344 113.837 2.6362 -0.1619034     3.391959 
1 1 1 23 20 17 o 79.821  1.7268 63.901   1.9469  82.778  2.3912 76.865  2.4920 5.912132       3.453695 
1 1 1 23 20 19 o 106.813 1.6943 114.503  2.5476  107.606 2.2548 106.021 2.5294 1.584366       3.388538 
1 1 1 23 20 21 o 61.493  2.1081 38.584   1.7513  64.194  2.3872 58.793  3.4753 5.400955       4.216176 
1 1 1 23 20 23 o 41.748  3.4382 18.076   1.9711  45.467  4.0726 38.030  5.5406 7.436867       6.876326 
1 1 1 23 20 25 o 17.666  5.0962 1.2950   2.0412  15.832  6.8381 19.499  7.5583 -3.666690      10.19249 
1 1 1 23 20 27 o 46.316  3.2855 22.127   2.1385  48.816  4.3163 43.816  4.9546 5.000076       6.571021 
1 1 1 23 20 29 o 57.258  2.4854 33.474   1.9986  56.140  3.2983 58.377  3.7188 -2.236336      4.970730 
1 1 1 23 20 31 o 26.067  5.1527 7.6730   2.2329  33.013  6.8085 19.121  7.7359 13.89201       10.30534 
1 1 1 23 20 33 o 27.286  5.2303 8.8520   2.0993  31.094  7.3034 23.478  7.4888 7.616720       10.46050 
1 1 1 23 20 35 o 18.005  5.1023 2.5946   2.0108  19.779  7.5007 16.231  6.9192 3.547491       10.20469 
1 1 1 23 20 37 o 13.799  4.4424 -0.8939  1.8389  14.610  6.7381 12.988  5.7912 1.621810       8.884811 
1 1 1 23 20 39 o 16.449  5.2454 0.8214   2.5383  17.193  7.8155 15.705  6.9984 1.488034       10.49088 
1 1 1 23 21 0  o 136.391 2.6238 186.443  7.1512  136.391 2.6238 ?       ?      0.000000       0.000000 
1 1 1 23 21 2  o 157.617 1.7566 249.477  3.6778  158.510 1.9335 156.723 2.9333 1.786667       3.513264 
1 1 1 23 21 4  o 73.528  1.4036 54.344   1.4019  74.412  1.6303 72.644  2.2853 1.767174       2.807202 
1 1 1 23 21 6  o 60.818  1.5229 36.778   1.2895  58.678  1.9587 62.958  2.3326 -4.279655      3.045872 
1 1 1 23 21 8  o 86.291  1.6721 74.101   1.9256  84.811  1.8821 87.772  2.7643 -2.961639      3.344253 
1 1 1 23 21 10 o 70.534  1.6059 49.660   1.5733  69.329  2.0262 71.739  2.4921 -2.409729      3.211850 
1 1 1 23 21 12 o 123.274 1.5873 152.822  2.7218  125.371 1.9862 121.177 2.4765 4.194366       3.174639 
1 1 1 23 21 14 o 145.078 1.6528 210.847  3.3648  144.292 2.1683 145.865 2.4951 -1.572327      3.305607 
1 1 1 23 21 16 o 88.237  1.7509 78.264   2.1540  89.380  2.2145 87.093  2.7126 2.286644       3.501746 
1 1 1 23 21 18 o 55.390  2.6475 30.796   2.0629  53.406  3.5867 57.373  3.8952 -3.966125      5.294961 
1 1 1 23 21 20 o 26.156  4.4802 7.3870   1.6503  23.623  7.0431 28.689  5.5392 -5.065615      8.960392 
1 1 1 23 21 22 o 50.437  2.7746 25.750   1.9773  49.066  3.9039 51.808  3.9438 -2.741917      5.549263 
1 1 1 23 21 24 o 17.824  4.7110 2.6051   1.5324  19.303  7.2794 16.345  5.9820 2.957603       9.422037 
1 1 1 23 21 26 f 41.701  3.3474 17.643   1.9464  44.913  4.9757 38.488  4.4792 6.424763       6.694856 
1 1 1 23 21 28 o 40.596  3.4080 17.267   1.9469  37.874  5.0576 43.318  4.5693 -5.444405      6.816031 
1 1 1 23 21 30 o 35.149  4.8797 14.033   2.2566  33.283  8.2743 37.015  5.1750 -3.731907      9.759338 
1 1 1 23 21 32 o 16.320  4.9712 0.2610   2.1690  14.431  6.6509 18.209  7.3903 -3.778888      9.942433 
1 1 1 23 21 34 o 22.781  5.6605 6.1854   2.2662  23.572  8.0829 21.990  7.9266 1.582756       11.32092 
1 1 1 23 21 36 o 19.198  5.2531 3.8949   2.0432  20.240  7.5413 18.156  7.3150 2.083836       10.50621 
1 1 1 23 21 38 o 43.678  3.4853 21.484   2.1156  43.467  5.4351 43.890  4.3643 -0.4233856     6.970520 
1 1 1 23 22 1  o 44.838  1.7696 20.217   1.1165  43.269  2.6562 46.408  2.3390 -3.138859      3.539225 
1 1 1 23 22 3  o 108.804 1.5968 118.093  2.3440  107.493 1.8414 110.116 2.6093 -2.622887      3.193637 
1 1 1 23 22 5  o 103.137 1.5133 106.690  2.1033  103.509 1.7272 102.765 2.4853 0.7449417      3.026547 
1 1 1 23 22 7  o 82.412  1.5698 67.908   1.7923  81.658  1.9548 83.166  2.4568 -1.507996      3.139605 
1 1 1 23 22 9  o 57.252  1.8555 32.854   1.4944  56.873  2.4699 57.631  2.7698 -0.7576981     3.711084 
1 1 1 23 22 11 o 82.745  1.6175 68.720   1.8701  83.341  2.0686 82.149  2.4872 1.191711       3.234987 
1 1 1 23 22 13 o 69.063  1.9726 48.024   1.9070  70.558  2.5338 67.567  3.0240 2.991005       3.945212 
1 1 1 23 22 15 o 68.739  1.8391 47.281   1.7787  67.131  2.4730 70.348  2.7229 -3.217171      3.678280 
1 1 1 23 22 17 o 94.098  1.6402 89.004   2.1540  94.875  2.0863 93.321  2.5315 1.554016       3.280436 
1 1 1 23 22 19 o 60.439  2.3918 36.844   2.0412  60.370  3.4902 60.508  3.2712 -0.1379242     4.783580 
1 1 1 23 22 21 o 64.399  2.3869 41.950   2.1709  62.465  3.4754 66.332  3.2728 -3.866783      4.773829 
1 1 1 23 22 23 o 63.528  2.4188 40.928   2.1709  65.187  3.3303 61.870  3.5088 3.316734       4.837645 
1 1 1 23 22 25 o 38.025  4.3173 15.514   2.2329  34.842  6.8411 41.207  5.2683 -6.365433      8.634549 
1 1 1 23 22 27 o 21.996  5.0234 5.0968   1.7923  18.322  6.6898 25.669  7.4957 -7.347002      10.04683 
1 1 1 23 22 29 o 37.524  3.8507 15.061   2.0412  37.782  5.5768 37.266  5.3114 0.5163383      7.701453 
1 1 1 23 22 31 o 21.989  5.3381 5.5601   2.0108  21.530  7.5972 22.449  7.5010 -0.9191017     10.67627 
1 1 1 23 22 33 o 16.796  5.1500 0.7417   2.2776  16.424  7.4664 17.168  7.0953 -0.7434044     10.30003 
1 1 1 23 22 35 o 19.064  5.4584 3.3605   2.3301  17.205  7.3990 20.922  8.0270 -3.717371      10.91690 
1 1 1 23 22 37 o 18.085  5.2867 3.3591   2.1987  17.359  7.2563 18.810  7.6904 -1.451157      10.57337 
1 1 1 23 23 0  o 172.568 2.2949 298.309  7.9175  172.568 2.2949 ?       ?      0.000000       0.000000 
1 1 1 23 23 2  o 31.334  2.6169 9.9429   1.1458  29.999  4.0440 32.669  3.3226 -2.670509      5.233874 
1 1 1 23 23 4  o 83.149  1.8728 69.258   2.1987  85.172  2.6988 81.126  2.5973 4.046181       3.745581 
1 1 1 23 23 6  o 105.902 1.8111 112.212  2.5109  105.371 1.9391 106.434 3.0595 -1.062592      3.622256 
1 1 1 23 23 8  o 162.707 1.7346 265.952  3.9083  164.013 2.1412 161.400 2.7297 2.612671       3.469232 
1 1 1 23 23 10 o 106.314 1.7099 113.183  2.5141  105.779 2.1127 106.850 2.6891 -1.070618      3.419729 
1 1 1 23 23 12 o 22.409  4.1259 5.2357   1.4047  17.555  6.2887 27.264  5.3428 -9.708378      8.251875 
1 1 1 23 23 14 o 107.810 1.6807 116.707  2.5397  108.165 2.1841 107.455 2.5551 0.7101593      3.361394 
1 1 1 23 23 16 o 173.881 1.9500 304.464  4.6949  175.019 2.4078 172.742 3.0679 2.276382       3.899958 
1 1 1 23 23 18 o 65.120  2.2919 42.772   2.0993  65.057  3.0425 65.184  3.4284 -0.1268539     4.583773 
1 1 1 23 23 20 o 47.741  2.9526 23.312   1.9773  45.440  4.4965 50.041  3.8279 -4.600883      5.905169 
1 1 1 23 23 22 o 34.185  3.9301 12.380   1.8147  28.501  6.2209 39.868  4.8046 -11.36771      7.860215 
1 1 1 23 23 24 o 18.018  5.2433 1.5750   1.8729  22.327  8.7125 13.710  5.8361 8.616826       10.48650 
1 1 1 23 23 26 o 13.082  4.2852 -2.5540  1.8787  12.682  5.8844 13.482  6.2312 -0.8006058     8.570469 
1 1 1 23 23 28 o 52.531  2.7137 28.506   1.9986  52.247  3.5440 52.814  4.1105 -0.5668488     5.427381 
1 1 1 23 23 30 o 59.860  3.5863 38.438   2.4379  61.248  2.9190 58.473  6.5518 2.774971       7.172620 
1 1 1 23 23 32 o 22.221  5.3290 5.8580   2.0108  23.747  7.6121 20.695  7.4599 3.052017       10.65805 
1 1 1 23 23 34 o 17.489  5.1916 1.5963   2.2986  14.643  6.7476 20.335  7.8919 -5.691619      10.38323 
1 1 1 23 23 36 o 16.352  4.9513 1.6524   2.1051  17.937  7.2784 14.768  6.7145 3.169199       9.902532 
1 1 1 23 24 1  o 90.899  1.5650 82.823   2.0108  91.219  2.1699 90.580  2.2557 0.6386948      3.129968 
1 1 1 23 24 3  o 105.766 1.5794 112.039  2.3607  103.206 2.2272 108.325 2.2399 -5.118347      3.158702 
1 1 1 23 24 5  o 104.652 1.7309 109.842  2.5397  104.508 2.6271 104.795 2.2544 -0.2871552     3.461786 
1 1 1 23 24 7  o 136.387 1.8328 187.454  3.3049  137.947 1.9903 134.827 3.0782 3.120163       3.665616 
1 1 1 23 24 9  o 223.700 2.0967 502.201  6.3539  223.064 2.4331 224.335 3.4155 -1.270493      4.193460 
1 1 1 23 24 11 o 179.569 1.9970 323.813  4.8852  179.096 2.3530 180.043 3.2272 -0.9479065     3.993942 
1 1 1 23 24 13 f 61.652  2.0520 38.249   1.7855  61.717  2.7933 61.586  3.0066 0.1310196      4.103963 
1 1 1 23 24 15 o 47.014  2.5457 22.324   1.6914  45.665  3.6354 48.363  3.5646 -2.698078      5.091418 
1 1 1 23 24 17 o 78.929  1.9981 63.304   2.1913  82.571  2.4745 75.287  3.1380 7.284203       3.996233 
1 1 1 23 24 19 o 85.384  1.8517 73.492   2.2348  86.992  2.5689 83.776  2.6675 3.215553       3.703408 
1 1 1 23 24 21 o 16.329  4.7976 0.8939   1.7744  18.751  7.4786 13.907  6.0117 4.844266       9.595296 
1 1 1 23 24 23 o 44.100  3.5837 20.242   2.2056  45.737  5.4445 42.462  4.6615 3.274551       7.167442 
1 1 1 23 24 25 o 18.896  4.9119 2.5625   1.9134  23.539  7.4869 14.253  6.3602 9.285597       9.823729 
1 1 1 23 24 27 o 35.232  4.6969 14.259   2.2275  29.569  7.8548 40.895  5.1524 -11.32594      9.393827 
1 1 1 23 24 29 o 34.863  4.8463 14.122   2.3301  29.211  7.7425 40.515  5.8311 -11.30415      9.692687 
1 1 1 23 24 31 o 20.358  5.3770 4.0939   2.1409  24.620  8.3048 16.096  6.8322 8.524300       10.75406 
1 1 1 23 24 33 o 19.611  5.4761 3.8170   2.3196  23.049  8.3614 16.172  7.0737 6.876751       10.95221 
1 1 1 23 24 35 o 17.322  5.3231 2.2290   2.4379  17.151  7.6538 17.492  7.4000 -0.3409348     10.64619 
1 1 1 23 25 0  o 28.116  5.9376 8.9391   2.9371  28.116  5.9376 ?       ?      0.000000       0.000000 
1 1 1 23 25 2  o 35.234  2.5620 12.483   1.2738  34.341  3.5327 36.127  3.7115 -1.786007      5.124010 
1 1 1 23 25 4  f 99.265  1.7066 98.704   2.3837  100.754 2.5349 97.777  2.2856 2.976860       3.413160 
1 1 1 23 25 6  o 156.290 1.6466 244.971  3.6350  158.232 2.3808 154.349 2.2752 3.882446       3.293144 
1 1 1 23 25 8  o 193.488 1.9845 377.739  5.3634  197.219 2.5253 189.757 3.0620 7.462051       3.969008 
1 1 1 23 25 10 o 151.602 1.8305 230.163  3.8101  149.816 2.2162 153.388 2.9139 -3.571976      3.660901 
1 1 1 23 25 12 o 83.858  1.7787 70.719   2.1051  84.595  2.4153 83.122  2.6117 1.472290       3.557350 
1 1 1 23 25 14 o 15.655  4.4113 1.4103   1.4658  15.719  6.3341 15.592  6.1414 0.1271944      8.822603 
1 1 1 23 25 16 o 18.409  4.8609 2.0652   1.8495  14.311  6.3294 22.508  7.3790 -8.197212      9.721727 
1 1 1 23 25 18 o 24.552  4.7977 6.5411   1.7027  25.113  7.2334 23.992  6.3047 1.121239       9.595363 
1 1 1 23 25 20 o 47.605  2.9921 23.509   1.9608  45.273  4.7951 49.937  3.5802 -4.663319      5.984229 
1 1 1 23 25 22 o 25.976  4.7687 7.7105   1.8429  21.652  7.4932 30.300  5.9002 -8.647562      9.537319 
1 1 1 23 25 24 o 57.449  2.5166 33.972   2.0412  57.285  3.6782 57.612  3.4357 -0.3271332     5.033189 
1 1 1 23 25 26 o 66.103  2.6352 45.312   2.4545  67.016  3.5252 65.190  3.9178 1.826294       5.270318 
1 1 1 23 25 28 o 23.863  5.5061 6.4480   2.2555  28.939  8.0792 18.787  7.4831 10.15156       11.01224 
1 1 1 23 25 30 o 44.963  3.5192 22.028   2.2348  46.312  4.8254 43.614  5.1239 2.698109       7.038424 
1 1 1 23 25 32 o 25.139  5.5778 8.1836   2.2123  29.942  8.4027 20.337  7.3378 9.604403       11.15569 
1 1 1 23 25 34 o 15.260  4.7183 0.0888   2.0987  13.705  6.6025 16.815  6.7421 -3.110405      9.436591 
1 1 1 23 26 1  f 33.281  3.1296 11.227   1.4575  33.431  4.7747 33.131  4.0471 0.3001900      6.259184 
1 1 1 23 26 3  o 91.432  1.7044 83.985   2.2024  90.623  2.4660 92.240  2.3535 -1.617577      3.408861 
1 1 1 23 26 5  o 66.762  2.1163 45.066   1.9608  65.333  3.3228 68.191  2.6218 -2.857994      4.232581 
1 1 1 23 26 7  o 68.688  2.0875 47.395   1.9702  69.180  3.3227 68.196  2.5280 0.9840469      4.175023 
1 1 1 23 26 9  o 89.074  2.1799 80.005   2.7456  88.178  3.1137 89.970  3.0516 -1.792053      4.359744 
1 1 1 23 26 11 o 71.225  2.0609 51.153   2.0746  70.813  2.9755 71.638  2.8522 -0.8246078     4.121723 
1 1 1 23 26 13 o 68.133  2.2250 46.750   2.1156  66.943  2.8614 69.323  3.4079 -2.380028      4.449913 
1 1 1 23 26 15 o 78.511  2.0409 62.066   2.2555  76.290  2.7619 80.732  3.0054 -4.442047      4.081732 
1 1 1 23 26 17 o 25.994  4.8380 7.1669   1.7520  29.741  7.3356 22.247  6.3098 7.493860       9.675935 
1 1 1 23 26 19 o 33.824  3.7374 12.038   1.7855  34.986  5.2926 32.661  5.2783 2.324615       7.474724 
1 1 1 23 26 21 o 17.163  5.0626 1.1992   1.9933  19.963  7.9324 14.363  6.2927 5.600316       10.12529 
1 1 1 23 26 23 o 25.415  5.0849 7.4705   1.9155  26.589  7.0772 24.240  7.3032 2.348755       10.16971 
1 1 1 23 26 25 o 22.934  4.8501 5.7338   1.9134  29.318  6.8652 16.551  6.8529 12.76613       9.700192 
1 1 1 23 26 27 o 33.316  5.1442 13.604   2.4112  26.884  8.6162 39.747  5.6225 -12.86307      10.28837 
1 1 1 23 26 29 o 17.475  5.3797 1.2606   2.4885  18.153  7.8027 16.796  7.4082 1.356489       10.75937 
1 1 1 23 26 31 f 17.171  5.1413 2.2348   2.1709  18.110  7.4506 16.231  7.0868 1.878744       10.28270 
1 1 1 23 26 33 o 32.184  4.3626 12.719   1.9070  34.411  6.1605 29.958  6.1788 4.453087       8.725172 
1 1 1 23 27 0  o 131.652 2.3782 173.929  6.2573  131.652 2.3782 ?       ?      0.000000       0.000000 
1 1 1 23 27 2  o 118.802 1.7694 141.909  2.9605  118.597 2.3689 119.008 2.6290 -0.4115982     3.538789 
1 1 1 23 27 4  o 81.828  1.9355 67.463   2.2275  81.406  2.9021 82.251  2.5618 -0.8451385     3.871013 
1 1 1 23 27 6  o 88.615  1.8179 79.218   2.2555  87.206  2.7823 90.024  2.3406 -2.817245      3.635834 
1 1 1 23 27 8  o 66.449  2.2674 44.779   2.0761  65.453  3.6094 67.446  2.7454 -1.993309      4.534877 
1 1 1 23 27 10 o 55.526  2.7223 31.211   1.8437  55.662  4.8179 55.390  2.5361 0.2724113      5.444578 
1 1 1 23 27 12 f 56.083  2.4602 31.944   1.9427  55.700  3.6682 56.466  3.2793 -0.7654419     4.920310 
1 1 1 23 27 14 o 65.638  2.3819 43.851   2.2024  62.997  3.5474 68.279  3.1795 -5.281540      4.763732 
1 1 1 23 27 16 o 32.957  3.9167 11.552   1.7787  35.868  5.3404 30.046  5.7309 5.822395       7.833479 
1 1 1 23 27 18 o 27.490  4.5627 8.5625   1.8787  20.898  7.4671 34.082  5.2456 -13.18385      9.125496 
1 1 1 23 27 20 o 52.077  3.1240 28.479   2.2303  50.806  5.0270 53.349  3.7102 -2.543022      6.247971 
1 1 1 23 27 22 o 63.109  2.5758 41.105   2.2968  63.457  3.7230 62.761  3.5608 0.6958046      5.151653 
1 1 1 23 27 24 f 28.794  5.3975 10.074   2.2447  26.704  8.3847 30.885  6.7993 -4.180922      10.79504 
1 1 1 23 27 26 o 30.546  5.5942 11.707   2.4578  33.161  7.4926 27.931  8.3091 5.230291       11.18846 
1 1 1 23 27 28 o 30.725  6.4748 13.111   3.0448  33.521  7.4346 27.929  10.603 5.592001       12.94965 
1 1 1 23 27 30 o 17.433  5.1921 2.2465   2.2555  15.868  7.1722 18.998  7.5094 -3.129762      10.38419 
1 1 1 23 27 32 o 26.191  5.6226 9.9055   2.2779  24.491  8.8816 27.892  6.8974 -3.400869      11.24527 
1 1 1 23 28 1  o 21.076  5.0322 4.4422   1.7855  19.751  6.9776 22.401  7.2531 -2.650818      10.06450 
1 1 1 23 28 3  o 37.517  3.4184 14.175   1.7744  40.591  5.1910 34.443  4.4492 6.148396       6.836756 
1 1 1 23 28 5  o 45.462  2.8627 21.030   1.7744  45.606  4.6201 45.317  3.3815 0.2889709      5.725375 
1 1 1 23 28 7  o 64.035  2.5920 41.939   2.2348  62.718  4.2758 65.352  2.9311 -2.633831      5.184007 
1 1 1 23 28 9  o 48.941  3.2131 24.696   2.0013  48.180  5.5661 49.702  3.2117 -1.521805      6.426193 
1 1 1 23 28 11 o 29.075  4.7610 9.1128   1.7962  28.519  8.2580 29.632  4.7406 -1.112415      9.521964 
1 1 1 23 28 13 o 62.295  2.5743 39.760   2.2626  62.002  3.5013 62.588  3.7746 -0.5860062     5.148505 
1 1 1 23 28 15 o 20.422  5.1481 4.2336   1.8787  20.836  7.1288 20.009  7.4290 0.8268929      10.29614 
1 1 1 23 28 17 o 23.153  5.3011 6.0452   1.9711  23.700  7.7392 22.606  7.2465 1.093836       10.60223 
1 1 1 23 28 19 o 29.261  4.3055 9.6107   1.7216  30.884  5.5797 27.639  6.5586 3.245506       8.610910 
1 1 1 23 28 21 o 41.597  3.7932 18.580   2.2056  43.882  5.6747 39.313  5.0349 4.569454       7.586346 
1 1 1 23 28 23 o 50.953  3.1939 27.598   2.2968  50.364  4.6908 51.542  4.3358 -1.178761      6.387707 
1 1 1 23 28 25 o 48.536  3.6958 25.865   2.5023  48.053  5.7136 49.018  4.6893 -0.9648514     7.391570 
1 1 1 23 28 27 o 19.063  5.1587 3.6854   2.0412  22.319  7.7305 15.807  6.8328 6.512057       10.31733 
1 1 1 23 28 29 o 26.462  5.6392 9.8295   2.3469  23.809  8.4846 29.115  7.4304 -5.305338      11.27831 
1 1 1 23 29 0  o 21.306  8.2412 6.3850   3.3202  21.306  8.2412 ?       ?      0.000000       0.000000 
1 1 1 23 29 2  o 26.969  4.8615 7.9196   1.8701  30.670  6.8384 23.268  6.9119 7.401484       9.723083 
1 1 1 23 29 4  o 41.793  3.2639 18.490   1.8318  37.549  5.4414 46.037  3.6060 -8.488316      6.527834 
1 1 1 23 29 6  o 53.237  2.8189 29.236   2.0157  52.003  4.6657 54.471  3.1649 -2.468357      5.637877 
1 1 1 23 29 8  o 62.817  2.5685 40.603   2.1691  61.702  4.2428 63.931  2.8963 -2.229340      5.137096 
1 1 1 23 29 10 o 61.411  2.4522 38.986   2.0157  59.460  4.0806 63.362  2.7208 -3.901794      4.904497 
1 1 1 23 29 12 o 32.666  4.4548 11.485   1.8475  33.258  7.6431 32.074  4.5787 1.184711       8.909649 
1 1 1 23 29 14 o 33.215  4.7806 12.515   2.1709  34.187  6.5851 32.243  6.9320 1.943886       9.561131 
1 1 1 23 29 16 f 41.877  3.6638 18.569   2.1634  43.249  5.3148 40.505  5.0444 2.744606       7.327582 
1 1 1 23 29 18 o 30.985  5.0397 11.397   2.1540  28.932  7.9320 33.039  6.2192 -4.107101      10.07946 
1 1 1 23 29 20 f 20.303  5.4351 4.0564   2.1540  22.828  8.1577 17.778  7.1843 5.049747       10.87026 
1 1 1 23 29 22 o 18.103  5.2813 2.4374   2.2024  18.840  7.5609 17.365  7.3757 1.474855       10.56261 
1 1 1 23 29 24 o 27.888  5.6497 9.9779   2.3607  30.360  7.9124 25.415  8.0665 4.944849       11.29932 
1 1 1 23 29 26 o 30.931  5.1789 12.340   2.2183  30.015  7.9543 31.848  6.6341 -1.833181      10.35772 
1 1 1 23 29 28 o 27.401  5.5160 10.599   2.4902  20.419  8.1344 34.383  7.4522 -13.96425      11.03193 
1 1 1 23 30 1  o 30.976  4.6109 10.747   1.9608  28.046  7.5658 33.907  5.2727 -5.860760      9.221895 
1 1 1 23 30 3  o 36.715  3.5735 14.109   1.8318  37.392  5.4643 36.038  4.6066 1.354103       7.147011 
1 1 1 23 30 5  o 61.508  2.7855 39.143   2.3599  60.401  4.4398 62.615  3.3651 -2.213928      5.571006 
1 1 1 23 30 7  o 60.228  2.7680 37.378   2.2776  60.161  4.4576 60.295  3.2828 -0.1347122     5.535944 
1 1 1 23 30 9  o 84.496  2.2054 72.965   2.4973  84.023  3.6476 84.969  2.4798 -0.9460220     4.410708 
1 1 1 23 30 11 o 68.226  2.7778 47.925   2.5633  69.191  4.5218 67.262  3.2275 1.928688       5.555520 
1 1 1 23 30 13 o 35.156  4.9143 12.940   2.1283  39.284  8.3748 31.028  5.1445 8.255209       9.828698 
1 1 1 23 30 15 o 22.597  5.4228 5.8201   2.1051  19.995  7.5231 25.199  7.8121 -5.204733      10.84558 
1 1 1 23 30 17 o 22.793  5.6512 5.9480   2.2626  24.581  8.1948 21.004  7.7838 3.577190       11.30236 
1 1 1 23 30 19 o 23.040  5.6308 6.3814   2.2329  23.226  8.0714 22.854  7.8534 0.3717556      11.26152 
1 1 1 23 30 21 o 20.064  5.5554 3.9672   2.3837  18.058  7.7831 22.069  7.9294 -4.010822      11.11086 
1 1 1 23 30 23 o 16.994  5.1229 1.6346   2.2275  15.633  7.0710 18.356  7.4147 -2.722895      10.24582 
1 1 1 23 30 25 o 23.653  6.0192 7.9144   2.6186  22.060  8.8189 25.247  8.1945 -3.187605      12.03835 
1 1 1 23 30 27 o 39.313  4.2568 18.940   2.2275  43.747  4.8164 34.878  7.0201 8.869236       8.513512 
1 1 1 23 31 0  o 55.769  3.8144 32.053   4.2141  55.769  3.8144 ?       ?      0.000000       0.000000 
1 1 1 23 31 2  o 34.547  4.3099 13.189   2.0412  32.509  6.7104 36.586  5.4101 -4.077370      8.619732 
1 1 1 23 31 4  o 35.069  4.5628 13.281   2.1691  41.106  6.3685 29.031  6.5358 12.07512       9.125521 
1 1 1 23 31 6  o 42.926  3.8775 20.583   2.0813  38.019  6.7950 47.833  3.7376 -9.814415      7.755084 
1 1 1 23 31 8  o 28.000  5.6956 8.5229   2.4973  36.578  8.5279 19.422  7.5522 17.15608       11.39126 
1 1 1 23 31 10 o 26.499  5.2952 8.4061   2.1246  23.367  8.5637 29.632  6.2305 -6.264502      10.59035 
1 1 1 23 31 12 o 19.252  5.2987 3.3484   2.0188  19.349  8.1948 19.155  6.7195 0.1937332      10.59743 
1 1 1 23 31 14 o 19.235  5.3873 2.5846   2.2123  23.770  8.5781 14.699  6.5200 9.070818       10.77466 
1 1 1 23 31 16 o 18.185  5.2017 2.7387   2.0511  17.642  7.0187 18.728  7.6792 -1.086018      10.40343 
1 1 1 23 31 18 o 18.331  5.3359 2.7292   2.2329  19.057  7.7253 17.604  7.3625 1.453194       10.67178 
1 1 1 23 31 20 o 20.686  5.4534 4.9975   2.1156  19.956  7.3242 21.416  8.0818 -1.459368      10.90687 
1 1 1 23 31 22 o 14.825  4.6353 0.4448   1.9134  14.586  6.4476 15.063  6.6613 -0.4769096     9.270666 
1 1 1 23 31 24 o 15.602  5.1590 -1.4279  2.7862  17.469  7.9523 13.734  6.5743 3.735214       10.31797 
1 1 1 23 32 1  o 16.693  4.8784 0.3676   2.0993  13.428  6.3295 19.957  7.4252 -6.528537      9.756812 
1 1 1 23 32 3  o 29.022  5.3758 10.152   2.2348  28.324  7.6922 29.719  7.5117 -1.395325      10.75159 
1 1 1 23 32 5  o 24.932  5.5056 7.4987   2.1540  24.355  8.1948 25.509  7.3548 -1.154062      11.01125 
1 1 1 23 32 7  o 19.743  5.3561 3.1470   2.2951  16.801  7.5280 22.686  7.6210 -5.885227      10.71220 
1 1 1 23 32 9  o 23.891  5.1931 6.4945   2.1892  18.733  7.9173 29.048  6.7221 -10.31502      10.38610 
1 1 1 23 32 11 f 70.605  2.8434 52.578   2.7862  68.572  4.4695 72.638  3.5161 -4.066162      5.686769 
1 1 1 23 32 13 o 41.068  4.1911 18.271   2.2902  43.815  6.8492 38.320  4.8321 5.495014       8.382153 
1 1 1 23 32 15 o 19.432  5.7970 2.8463   2.3263  23.804  9.6411 15.060  6.4398 8.744022       11.59405 
1 1 1 23 32 17 o 31.275  5.2656 12.259   2.2986  31.668  7.3869 30.882  7.5060 0.7861977      10.53123 
1 1 1 23 32 19 o 32.395  4.9263 13.219   2.2329  28.445  7.8354 36.344  5.9733 -7.898808      9.852551 
1 1 1 23 32 21 o 24.600  5.2783 8.1931   1.9986  23.855  7.8556 25.344  7.0521 -1.489361      10.55660 
1 1 1 23 33 0  o 19.724  10.373 6.7681   5.3634  19.724  10.373 ?       ?      0.000000       0.000000 
1 1 1 23 33 2  o 24.689  5.8745 7.3662   2.5185  21.678  8.4203 27.700  8.1937 -6.022211      11.74897 
1 1 1 23 33 4  o 23.252  5.5628 6.1114   2.4081  19.225  8.2208 27.279  7.4964 -8.053400      11.12556 
1 1 1 23 33 6  o 19.394  5.5800 2.9967   2.2714  23.065  8.9272 15.723  6.6971 7.341517       11.15997 
1 1 1 23 33 8  o 25.539  5.9530 8.1373   2.4894  28.843  8.8760 22.235  7.9353 6.607870       11.90599 
1 1 1 23 33 10 o 21.296  6.0639 4.6891   2.5397  23.155  9.6923 19.437  7.2900 3.718315       12.12787 
1 1 1 23 33 12 o 24.417  6.2713 7.4037   2.5642  26.845  10.052 21.990  7.5010 4.854767       12.54258 
1 1 1 23 33 14 o 28.303  6.1624 10.815   2.5642  28.351  10.126 28.255  7.0262 0.9628487E-01  12.32478 
1 1 1 23 33 16 o 55.936  3.7122 34.238   2.4829  56.952  6.6146 54.920  3.3716 2.032162       7.424314 
1 1 1 23 33 18 f 57.267  3.0956 36.203   2.4902  53.421  4.6614 61.114  4.0746 -7.693211      6.191268 
1 1 1 23 33 20 o 27.616  5.5529 10.839   2.2827  26.136  8.4061 29.096  7.2578 -2.959877      11.10577 
1 1 1 23 34 1  f 25.147  5.6550 8.0196   2.3837  21.604  8.3324 28.690  7.6479 -7.085363      11.31009 
1 1 1 23 34 3  o 24.454  5.0935 6.7009   2.3994  16.498  7.4911 32.410  6.9036 -15.91144      10.18706 
1 1 1 23 34 5  o 28.648  5.6765 10.617   2.4081  26.521  8.9365 30.775  7.0022 -4.254295      11.35304 
1 1 1 23 34 7  o 14.007  4.6444 -3.6591  2.3940  12.254  5.9857 15.761  7.1029 -3.507124      9.288719 
1 1 1 23 34 9  o 21.448  5.8012 5.2905   2.5844  19.434  8.5385 23.462  7.8556 -4.027679      11.60244 
1 1 1 23 34 11 o 37.798  5.3134 17.703   2.5659  38.536  9.0848 37.060  5.5133 1.476086       10.62688 
1 1 1 23 34 13 o 33.809  6.1240 16.002   2.8698  32.982  9.8788 34.635  7.2403 -1.652954      12.24800 
1 1 1 23 34 15 o 27.258  6.4917 11.465   2.8656  26.391  10.558 28.125  7.5563 -1.734091      12.98339 
1 1 1 23 34 17 o 32.874  5.7417 15.405   2.5834  29.652  9.9913 36.096  5.6605 -6.444176      11.48333 
1 1 1 23 35 0  o 48.511  6.1306 25.923   6.0019  48.511  6.1306 ?       ?      0.000000       0.000000 
1 1 1 23 35 2  o 31.686  5.8898 13.664   2.6270  32.352  9.0959 31.021  7.4850 1.331343       11.77962 
1 1 1 23 35 4  o 17.747  5.5052 1.2684   2.7807  16.383  7.6982 19.112  7.8720 -2.728983      11.01045 
1 1 1 23 35 6  o 29.393  5.9164 12.268   2.6682  25.725  9.2817 33.060  7.3392 -7.335066      11.83274 
1 1 1 23 35 8  o 58.393  3.6759 38.865   2.9887  55.605  5.7414 61.181  4.5919 -5.576187      7.351851 
1 1 1 23 35 10 o 51.721  4.0660 31.414   2.8263  50.281  6.7303 53.162  4.5640 -2.880978      8.131905 
1 1 1 23 35 12 o 39.860  5.5419 21.737   2.7983  34.992  9.8203 44.727  5.1392 -9.734692      11.08374 
1 1 1 23 36 1  o 26.153  6.2967 10.589   2.8381  23.991  9.0212 28.315  8.7870 -4.324047      12.59339 
1 1 1 23 36 3  o 15.845  5.0796 0.0776   2.5185  14.659  6.8924 17.031  7.4635 -2.371574      10.15915 
1 1 1 23 36 5  o 38.669  5.0888 19.447   2.6680  39.521  7.5406 37.816  6.8356 1.705311       10.17769 
1 1 1 24 1  1  o 285.003 2.2025 812.615  8.8637  286.910 3.2047 283.096 3.0223 3.813263       4.404993 
1 1 1 24 1  3  o 103.379 1.6019 107.181  2.3196  101.739 2.4476 105.019 2.0672 -3.280067      3.203732 
1 1 1 24 1  5  o 90.665  1.4954 82.269   1.9134  90.171  2.1951 91.159  2.0312 -0.9885712     2.990743 
1 1 1 24 1  7  o 93.564  1.7508 87.745   2.2702  92.876  2.7499 94.253  2.1678 -1.377762      3.501638 
1 1 1 24 1  9  o 240.762 2.2313 580.764  7.5177  239.469 3.4129 242.055 2.8753 -2.585144      4.462624 
1 1 1 24 1  11 o 109.845 1.6674 120.881  2.5855  107.054 2.4454 112.636 2.2675 -5.581772      3.334870 
1 1 1 24 1  13 o 174.717 1.7795 306.368  4.3549  171.311 2.7208 178.124 2.2941 -6.813110      3.558939 
1 1 1 24 1  15 o 47.708  2.3297 22.888   1.4659  47.227  3.9208 48.190  2.5175 -0.9631882     4.659423 
1 1 1 24 1  17 o 117.096 1.5843 137.450  2.5193  116.456 2.5769 117.736 1.8439 -1.279846      3.168662 
1 1 1 24 1  19 o 72.661  1.9243 52.822   1.8841  72.819  3.1566 72.502  2.2017 0.3170013      3.848562 
1 1 1 24 1  21 o 44.101  2.5597 19.472   1.5937  42.224  3.6293 45.978  3.6106 -3.754566      5.119399 
1 1 1 24 1  23 o 77.645  2.1730 60.454   2.3193  77.379  3.4657 77.911  2.6225 -0.5324936     4.346097 
1 1 1 24 1  25 o 134.618 2.4493 181.601  4.6471  132.982 3.3130 136.254 3.6083 -3.271545      4.898557 
1 1 1 24 1  27 o 27.923  4.0165 8.1409   1.5218  28.533  6.0072 27.314  5.3331 1.218933       8.032955 
1 1 1 24 1  29 o 102.867 2.0188 106.092  2.9316  104.588 2.9304 101.146 2.7776 3.442139       4.037582 
1 1 1 24 1  31 o 40.436  2.6896 16.505   1.5297  39.477  4.0435 41.395  3.5477 -1.918179      5.379207 
1 1 1 24 1  33 o 73.080  2.0997 53.574   2.1634  69.439  2.9425 76.722  2.9961 -7.282936      4.199345 
1 1 1 24 1  35 o 65.300  2.3163 43.094   2.1385  65.066  3.2383 65.534  3.3127 -0.4679871     4.632556 
1 1 1 24 1  37 o 38.891  4.0181 16.326   2.0629  34.576  6.7026 43.207  4.4334 -8.630898      8.036102 
1 1 1 24 1  39 o 15.480  4.7210 0.2467   1.8830  16.100  6.8330 14.861  6.5162 1.238750       9.442030 
1 1 1 24 1  41 o 31.342  5.4906 11.570   2.3440  29.670  6.8115 33.013  8.6134 -3.343853      10.98125 
1 1 1 24 1  43 o 20.065  5.5939 3.8493   2.2389  19.723  6.9766 20.407  8.7460 -0.6843376     11.18774 
1 1 1 24 1  45 o 26.255  5.8463 9.5361   2.4247  27.047  7.6717 25.463  8.8239 1.584839       11.69257 
1 1 1 24 2  0  o 236.243 3.2447 558.692  15.324  236.243 3.2447 ?       ?      0.000000       0.000000 
1 1 1 24 2  2  o 236.938 2.2867 561.902  7.6615  234.164 3.2448 239.712 3.2230 -5.547531      4.573464 
1 1 1 24 2  4  o 188.508 1.8694 355.763  4.9795  186.101 2.7105 190.914 2.5752 -4.813004      3.738768 
1 1 1 24 2  6  o 233.433 1.9733 545.240  6.5071  234.207 2.8626 232.659 2.7169 1.548233       3.946638 
1 1 1 24 2  8  o 206.864 2.2074 427.761  6.3177  208.026 3.4684 205.701 2.7316 2.325348       4.414852 
1 1 1 24 2  10 o 52.974  2.1622 27.941   1.5324  53.687  3.5679 52.260  2.4435 1.426933       4.324451 
1 1 1 24 2  12 o 105.809 1.6755 111.439  2.4312  107.701 2.6678 103.918 2.0276 3.782951       3.350913 
1 1 1 24 2  14 o 147.193 1.6074 215.893  3.2416  149.261 2.5667 145.124 1.9359 4.136429       3.214868 
1 1 1 24 2  16 o 50.362  2.4461 25.512   1.7027  49.466  3.8724 51.259  2.9896 -1.792667      4.892108 
1 1 1 24 2  18 o 110.054 1.4992 121.318  2.3301  112.231 2.0481 107.877 2.1900 4.353447       2.998453 
1 1 1 24 2  20 o 92.291  2.1104 86.086   2.5844  90.220  3.5386 94.361  2.3006 -4.141388      4.220736 
1 1 1 24 2  22 o 64.023  1.8703 41.074   1.6914  63.274  2.7246 64.773  2.5630 -1.499512      3.740630 
1 1 1 24 2  24 o 47.909  2.3195 22.710   1.5116  45.999  2.7761 49.819  3.7168 -3.820084      4.639099 
1 1 1 24 2  26 o 127.960 1.6957 163.659  3.0435  125.934 2.2309 129.985 2.5543 -4.050552      3.391355 
1 1 1 24 2  28 o 34.429  4.0599 12.501   1.7966  32.023  6.9732 36.835  4.1602 -4.811863      8.119900 
1 1 1 24 2  30 o 88.226  1.7657 78.047   2.2024  86.602  2.5068 89.851  2.4872 -3.249336      3.531303 
1 1 1 24 2  32 f 99.810  1.6760 99.508   2.3349  97.323  2.1650 102.298 2.5591 -4.974411      3.352035 
1 1 1 24 2  34 o 54.397  2.3780 29.804   1.7923  54.920  3.7203 53.875  2.9629 1.045498       4.756019 
1 1 1 24 2  36 o 37.790  3.3946 14.781   1.7673  36.498  5.4232 39.081  4.0844 -2.583065      6.789207 
1 1 1 24 2  38 f 21.131  4.8431 4.7249   1.7216  23.862  6.6897 18.399  7.0049 5.462627       9.686113 
1 1 1 24 2  40 o 38.405  3.4429 15.650   1.8429  39.880  4.3229 36.931  5.3596 2.948875       6.885708 
1 1 1 24 2  42 o 26.545  5.3904 8.3577   2.0585  25.382  6.6950 27.708  8.4501 -2.326504      10.78087 
1 1 1 24 2  44 o 18.783  5.6149 2.6101   2.4294  17.887  7.1315 19.679  8.6747 -1.792654      11.22986 
1 1 1 24 2  46 o 13.360  4.5300 -3.5611  2.3083  12.577  5.8545 14.142  6.9143 -1.565207      9.059975 
1 1 1 24 3  1  o 279.809 2.2046 782.409  8.6734  283.271 3.2909 276.346 2.9344 6.924530       4.409139 
1 1 1 24 3  3  o 170.849 1.6784 292.028  4.0522  171.145 2.4250 170.552 2.3211 0.5935974      3.356824 
1 1 1 24 3  5  o 85.338  1.5927 73.049   1.9134  83.017  2.3843 87.659  2.1123 -4.641769      3.185399 
1 1 1 24 3  7  f 75.981  1.5818 57.918   1.6866  74.424  2.4022 77.538  2.0587 -3.113739      3.163671 
1 1 1 24 3  9  o 256.142 2.0828 656.040  7.4997  258.034 3.1179 254.250 2.7625 3.783371       4.165609 
1 1 1 24 3  11 o 321.141 2.4004 1033.19  10.871  318.661 3.5466 323.621 3.2357 -4.959534      4.800834 
1 1 1 24 3  13 o 141.273 1.6350 199.972  3.2451  139.776 2.4667 142.769 2.1467 -2.993073      3.270034 
1 1 1 24 3  15 o 119.400 1.9182 142.961  3.1108  118.714 3.1195 120.086 2.2332 -1.372795      3.836478 
1 1 1 24 3  17 o 110.023 1.9728 121.140  3.0529  110.364 2.9506 109.683 2.6196 0.6810074      3.945676 
1 1 1 24 3  19 f 125.189 1.6136 156.926  2.8123  125.381 2.0370 124.998 2.5030 0.3819962      3.227117 
1 1 1 24 3  21 o 98.300  1.5859 96.720   2.1987  98.142  2.1470 98.457  2.3346 -0.3155212     3.171736 
1 1 1 24 3  23 o 119.258 1.6548 142.307  2.7478  118.950 2.0935 119.565 2.5633 -0.6147995     3.309541 
1 1 1 24 3  25 o 108.359 1.6485 117.700  2.5185  107.292 2.4399 109.426 2.2173 -2.134140      3.296928 
1 1 1 24 3  27 o 56.099  2.3756 31.616   1.8830  56.615  3.2706 55.583  3.4462 1.032352       4.751153 
1 1 1 24 3  29 o 71.464  2.3636 50.661   2.3599  77.583  3.4566 65.344  3.2246 12.23920       4.727127 
1 1 1 24 3  31 o 54.946  2.3434 30.357   1.8192  53.092  3.3674 56.800  3.2599 -3.707870      4.686827 
1 1 1 24 3  33 o 65.159  2.2159 42.616   2.0352  62.396  3.0699 67.922  3.1962 -5.526199      4.431726 
1 1 1 24 3  35 o 33.829  4.5485 12.738   1.9933  38.752  4.4487 28.907  7.9350 9.844402       9.097006 
1 1 1 24 3  37 o 20.707  5.1922 4.0061   1.9711  22.869  7.2380 18.546  7.4464 4.323328       10.38447 
1 1 1 24 3  39 o 61.247  2.6540 38.630   2.2986  60.778  3.7820 61.716  3.7245 -0.9382553     5.308042 
1 1 1 24 3  41 o 17.525  4.9554 2.2943   1.8787  15.664  6.6224 19.385  7.3734 -3.720382      9.910760 
1 1 1 24 3  43 o 22.158  5.4455 4.5133   2.2321  14.429  6.4039 29.888  8.8093 -15.45890      10.89101 
1 1 1 24 3  45 o 18.862  5.6339 3.3713   2.3242  16.434  6.7612 21.290  9.0139 -4.855726      11.26789 
1 1 1 24 4  0  o 90.384  2.1928 81.856   3.9587  90.384  2.1928 ?       ?      0.000000       0.000000 
1 1 1 24 4  2  o 211.880 2.0370 448.988  6.0775  213.211 3.0247 210.549 2.7293 2.662094       4.074031 
1 1 1 24 4  4  o 153.537 1.6326 235.853  3.5411  153.659 2.3685 153.414 2.2475 0.2450256      3.265124 
1 1 1 24 4  6  o 202.244 1.9261 410.153  5.4793  198.622 2.8932 205.867 2.5433 -7.244110      3.852118 
1 1 1 24 4  8  o 263.219 2.3845 694.629  8.7073  261.512 3.7356 264.925 2.9645 -3.412994      4.768957 
1 1 1 24 4  10 o 269.905 2.4039 731.164  8.9910  266.915 3.7796 272.896 2.9715 -5.981720      4.807822 
1 1 1 24 4  12 o 103.770 1.7419 107.531  2.5397  105.365 2.6058 102.175 2.3122 3.189240       3.483706 
1 1 1 24 4  14 o 195.438 1.7938 382.264  4.8336  195.442 2.1889 195.434 2.8424 0.8331299E-02  3.587531 
1 1 1 24 4  16 o 171.702 1.7683 296.470  4.1920  175.047 2.1521 168.357 2.8065 6.689270       3.536654 
1 1 1 24 4  18 o 136.165 1.7520 185.384  3.3008  135.503 2.1676 136.827 2.7532 -1.324173      3.504091 
1 1 1 24 4  20 o 161.001 1.7336 260.381  3.9141  164.839 2.2466 157.163 2.6407 7.676529       3.467116 
1 1 1 24 4  22 o 95.567  1.6788 91.439   2.2626  95.638  2.2699 95.495  2.4739 0.1428146      3.357504 
1 1 1 24 4  24 o 119.511 1.5869 143.025  2.6817  120.580 2.2240 118.443 2.2641 2.137062       3.173742 
1 1 1 24 4  26 o 69.760  1.9759 48.501   1.9218  67.631  2.5491 71.889  3.0198 -4.257744      3.951849 
1 1 1 24 4  28 o 84.783  1.8167 72.048   2.1540  84.541  2.3413 85.026  2.7785 -0.4848862     3.633458 
1 1 1 24 4  30 o 133.477 1.9828 179.067  3.7350  129.335 2.9127 137.619 2.6910 -8.283875      3.965537 
1 1 1 24 4  32 o 47.497  2.6148 22.712   1.7507  50.295  3.6816 44.699  3.7140 5.595570       5.229518 
1 1 1 24 4  34 o 32.169  4.1528 10.976   1.8192  32.742  5.8678 31.595  5.8780 1.146820       8.305531 
1 1 1 24 4  36 f 76.951  1.7949 59.785   1.9427  78.101  2.3708 75.801  2.6955 2.300560       3.589801 
1 1 1 24 4  38 o 38.586  4.0360 15.691   2.1654  36.843  5.1991 40.329  6.1746 -3.485752      8.071964 
1 1 1 24 4  40 f 20.538  4.8353 4.0353   1.8815  24.837  6.5784 16.239  7.0885 8.597704       9.670684 
1 1 1 24 4  42 o 20.449  5.3973 4.3534   2.0897  18.526  7.2013 22.373  8.0415 -3.847002      10.79466 
1 1 1 24 4  44 o 32.204  5.0621 11.940   2.1550  24.894  6.7541 39.514  7.5419 -14.61968      10.12414 
1 1 1 24 4  46 o 15.793  4.8942 0.9299   2.1044  16.080  6.5485 15.507  7.2753 0.5727892      9.788384 
1 1 1 24 5  1  o 249.470 2.5074 622.093  8.8100  245.522 3.3808 253.417 3.7038 -7.895081      5.014737 
1 1 1 24 5  3  o 324.744 2.7229 1057.06  12.267  323.510 4.2631 325.978 3.3886 -2.467743      5.445827 
1 1 1 24 5  5  o 238.370 2.3133 568.269  7.6621  239.425 3.6002 237.314 2.9058 2.111481       4.626569 
1 1 1 24 5  7  o 199.560 1.7736 399.291  4.9509  197.151 2.7205 201.969 2.2762 -4.818848      3.547125 
1 1 1 24 5  9  o 203.564 1.9630 414.723  5.6506  204.208 2.7515 202.920 2.8005 1.287796       3.926006 
1 1 1 24 5  11 o 180.268 1.7898 325.241  4.4758  180.406 2.2297 180.130 2.8003 0.2755432      3.579578 
1 1 1 24 5  13 o 137.111 1.5513 187.454  2.9670  134.675 1.9913 139.547 2.3793 -4.872299      3.102590 
1 1 1 24 5  15 o 191.844 1.8668 369.524  4.8420  193.604 2.1437 190.084 3.0568 3.519974       3.733525 
1 1 1 24 5  17 o 279.701 2.2885 784.049  8.9142  280.489 2.8910 278.913 3.5484 1.575562       4.576991 
1 1 1 24 5  19 o 185.022 1.7700 343.651  4.5538  187.374 2.2150 182.670 2.7614 4.703201       3.539948 
1 1 1 24 5  21 o 273.638 2.2692 751.225  8.6032  274.976 2.8097 272.298 3.5642 2.677948       4.538473 
1 1 1 24 5  23 o 214.892 1.9564 462.691  5.8301  215.128 2.4338 214.657 3.0638 0.4706879      3.912798 
1 1 1 24 5  25 o 52.468  2.2177 27.248   1.5524  50.738  2.5169 54.197  3.6521 -3.459438      4.435397 
1 1 1 24 5  27 o 160.213 1.9053 256.956  4.2813  158.376 2.4996 162.049 2.8763 -3.672424      3.810671 
1 1 1 24 5  29 o 134.787 2.1702 182.023  3.8712  134.103 2.3807 135.470 3.6292 -1.367538      4.340340 
1 1 1 24 5  31 o 73.008  2.5014 52.871   2.4247  70.412  2.8111 75.604  4.1382 -5.191811      5.002736 
1 1 1 24 5  33 o 55.642  2.8494 31.334   2.2183  55.529  3.6795 55.754  4.3518 -0.2248802     5.698867 
1 1 1 24 5  35 o 36.345  4.4850 14.621   2.1004  41.370  4.4758 31.320  7.7735 10.05033       8.970016 
1 1 1 24 5  37 o 22.425  5.2216 5.2881   1.9427  24.885  7.5518 19.966  7.2134 4.919886       10.44329 
1 1 1 24 5  39 o 27.077  4.8955 8.3958   1.8787  28.054  7.0566 26.100  6.7873 1.954311       9.790942 
1 1 1 24 5  41 o 24.692  5.2761 7.2161   1.9986  27.151  7.6624 22.234  7.2550 4.916637       10.55210 
1 1 1 24 5  43 o 15.800  4.7910 0.8834   1.9427  15.009  6.6898 16.592  6.8603 -1.583082      9.582101 
1 1 1 24 5  45 o 19.974  5.0167 4.4097   2.0253  24.129  7.1625 15.819  7.0262 8.310018       10.03336 
1 1 1 24 6  0  o 288.924 3.2495 835.547  18.772  288.924 3.2495 ?       ?      0.000000       0.000000 
1 1 1 24 6  2  o 410.729 2.8860 1690.12  16.761  406.756 4.1284 414.702 4.0339 -7.946533      5.772056 
1 1 1 24 6  4  f 223.643 2.1157 499.961  6.6172  221.962 2.7328 225.323 3.2305 -3.360123      4.231318 
1 1 1 24 6  6  o 179.560 2.2014 324.495  4.9613  181.365 2.1475 177.755 3.8435 3.609467       4.402764 
1 1 1 24 6  8  o 296.418 2.7449 883.639  10.694  299.342 2.9436 293.494 4.6339 5.848480       5.489761 
1 1 1 24 6  10 o 270.754 2.7714 734.065  9.4080  270.728 2.7122 270.779 4.8340 -0.5117798E-01 5.542863 
1 1 1 24 6  12 o 102.302 2.0464 105.663  2.8459  105.125 2.3688 99.479  3.3376 5.646065       4.092758 
1 1 1 24 6  14 o 137.891 1.9284 188.231  3.3157  135.291 1.8878 140.492 3.3631 -5.201752      3.856736 
1 1 1 24 6  16 f 158.318 2.1285 248.982  4.3777  155.707 2.2554 160.929 3.6105 -5.221863      4.257076 
1 1 1 24 6  18 o 81.767  2.0297 66.431   2.0684  80.671  1.9787 82.863  3.5446 -2.191956      4.059474 
1 1 1 24 6  20 o 102.000 1.8991 104.430  2.4802  102.476 1.9315 101.524 3.2704 0.9518051      3.798190 
1 1 1 24 6  22 o 99.614  2.0604 96.704   2.6689  93.956  2.2426 105.273 3.4572 -11.31755      4.120842 
1 1 1 24 6  24 o 37.763  5.1144 16.926   2.0364  44.850  3.2744 30.676  9.6905 14.17387       10.22874 
1 1 1 24 6  26 o 46.915  2.9858 22.162   1.9773  47.130  4.0644 46.701  4.3751 0.4282227      5.971620 
1 1 1 24 6  28 o 16.811  4.6628 1.1865   1.7274  18.763  6.5835 14.859  6.6049 3.903891       9.325615 
1 1 1 24 6  30 o 32.110  4.6040 10.799   2.0253  30.564  7.3838 33.657  5.5015 -3.093628      9.207999 
1 1 1 24 6  32 f 53.200  2.9162 28.500   2.1033  52.416  3.4108 53.984  4.7310 -1.568581      5.832352 
1 1 1 24 6  34 o 64.627  2.3056 42.205   2.1071  65.171  3.2332 64.084  3.2880 1.086777       4.611299 
1 1 1 24 6  36 o 20.212  4.3391 3.0717   1.7673  27.009  6.0600 13.415  6.2118 13.59388       8.678129 
1 1 1 24 6  38 o 15.699  4.6971 -0.4614  1.9773  18.658  7.2119 12.740  6.0201 5.918341       9.394273 
1 1 1 24 6  40 o 27.214  4.8251 8.6837   2.0587  33.875  5.2777 20.553  8.0791 13.32134       9.650203 
1 1 1 24 6  42 o 74.786  2.6265 58.714   2.7218  77.178  3.2265 72.393  4.1454 4.784569       5.253049 
1 1 1 24 6  44 o 16.083  4.9440 0.9301   2.1271  15.293  6.9416 16.874  7.0419 -1.580987      9.888075 
1 1 1 24 6  46 o 21.089  5.3939 6.0550   2.0746  22.033  7.7209 20.146  7.5343 1.887331       10.78789 
1 1 1 24 7  1  o 301.387 2.2624 909.237  9.6376  300.916 3.1404 301.857 3.2575 -0.9407654     4.524728 
1 1 1 24 7  3  o 255.070 2.2472 651.381  8.0214  255.342 2.9007 254.798 3.4331 0.5439148      4.494475 
1 1 1 24 7  5  f 138.784 1.5338 191.343  2.8451  136.290 1.7334 141.278 2.5309 -4.988556      3.067614 
1 1 1 24 7  7  o 51.150  1.4818 26.043   1.0061  50.530  1.6427 51.769  2.4667 -1.238934      2.963644 
1 1 1 24 7  9  o 221.268 1.9313 490.033  5.9198  221.375 2.3939 221.161 3.0314 0.2142487      3.862698 
1 1 1 24 7  11 o 187.035 1.7813 349.928  4.5552  186.766 2.1196 187.303 2.8635 -0.5375824     3.562644 
1 1 1 24 7  13 o 127.133 1.6342 162.841  2.7825  129.459 1.8249 124.808 2.7114 4.651390       3.268336 
1 1 1 24 7  15 o 62.840  1.6834 40.045   1.4575  66.452  2.0178 59.229  2.6951 7.222862       3.366740 
1 1 1 24 7  17 o 18.923  3.5910 3.6883   1.0704  23.020  4.3198 14.827  5.7376 8.193344       7.182006 
1 1 1 24 7  19 o 270.159 2.2608 732.938  8.5251  273.246 2.8742 267.073 3.4905 6.173157       4.521562 
1 1 1 24 7  21 o 228.606 1.9897 522.915  6.2771  227.759 2.4390 229.453 3.1445 -1.694595      3.979488 
1 1 1 24 7  23 o 86.012  1.8573 74.610   2.2183  88.846  2.2997 83.178  2.9170 5.668076       3.714519 
1 1 1 24 7  25 f 56.405  2.0949 32.053   1.6601  60.140  2.7604 52.669  3.1520 7.471233       4.189826 
1 1 1 24 7  27 o 111.253 1.7290 123.305  2.6682  108.220 2.1830 114.286 2.6817 -6.066696      3.457908 
1 1 1 24 7  29 o 147.325 1.7496 217.456  3.6216  146.335 2.3126 148.314 2.6261 -1.979065      3.499184 
1 1 1 24 7  31 o 85.349  2.0120 73.300   2.4263  83.255  2.9143 87.444  2.7747 -4.189400      4.023971 
1 1 1 24 7  33 o 35.150  3.6044 12.656   1.7855  35.724  4.8258 34.577  5.3552 1.147442       7.208779 
1 1 1 24 7  35 o 47.674  2.9848 23.219   2.0108  49.131  4.1587 46.218  4.2827 2.913719       5.969616 
1 1 1 24 7  37 o 30.617  4.3182 10.978   1.8057  38.785  4.2803 22.450  7.5010 16.33557       8.636310 
1 1 1 24 7  39 o 51.328  2.7464 27.392   1.9794  54.874  3.6071 47.783  4.1424 7.090561       5.492791 
1 1 1 24 7  41 o 44.080  3.5436 20.849   2.2024  46.424  4.8138 41.736  5.2015 4.688461       7.087196 
1 1 1 24 7  43 o 35.698  4.3179 14.543   2.1271  33.115  6.2066 38.281  6.0046 -5.166233      8.635765 
1 1 1 24 7  45 f 25.881  5.3977 9.1125   2.1347  27.692  7.2813 24.069  7.9703 3.623781       10.79548 
1 1 1 24 8  0  o 85.655  4.1202 73.939   7.0236  85.655  4.1202 ?       ?      0.000000       0.000000 
1 1 1 24 8  2  o 104.987 2.2264 110.566  2.9767  105.438 2.2406 104.535 3.8481 0.9024124      4.452859 
1 1 1 24 8  4  o 223.668 2.4008 499.876  7.4821  225.825 3.7039 221.512 3.0554 4.313004       4.801549 
1 1 1 24 8  6  o 194.118 1.9006 377.230  5.1801  194.621 2.4934 193.615 2.8691 1.006241       3.801138 
1 1 1 24 8  8  o 273.039 2.2616 746.254  8.3909  272.983 2.6431 273.095 3.6707 -0.1122437     4.523256 
1 1 1 24 8  10 o 212.648 1.8153 452.076  5.3522  211.678 2.2623 213.619 2.8395 -1.941376      3.630563 
1 1 1 24 8  12 o 94.033  1.3625 89.322   1.7787  98.756  1.6810 89.311  2.1448 9.444885       2.725056 
1 1 1 24 8  14 o 57.267  1.7935 33.382   1.3583  59.674  1.9260 54.861  3.0260 4.812458       3.586957 
1 1 1 24 8  16 o 26.118  3.1490 7.0600   1.1165  28.773  3.7725 23.463  5.0432 5.309473       6.298101 
1 1 1 24 8  18 o 165.191 1.6947 272.837  3.8518  164.387 2.0586 165.996 2.6926 -1.608276      3.389353 
1 1 1 24 8  20 o 220.194 1.9247 484.399  5.8947  217.708 2.4343 222.680 2.9821 -4.971863      3.849459 
1 1 1 24 8  22 o 40.819  3.1237 17.028   1.7274  43.111  3.5545 38.527  5.1376 4.584095       6.247349 
1 1 1 24 8  24 o 98.822  1.9174 98.404   2.6186  100.981 2.3395 96.664  3.0385 4.316750       3.834812 
1 1 1 24 8  26 o 133.508 1.6654 179.167  3.1169  136.276 2.1553 130.740 2.5396 5.536087       3.330845 
1 1 1 24 8  28 o 101.989 1.8944 105.504  2.6437  106.066 2.2274 97.912  3.0650 8.154236       3.788820 
1 1 1 24 8  30 o 90.532  1.9850 82.627   2.5023  92.191  2.4933 88.873  3.0893 3.318024       3.969965 
1 1 1 24 8  32 o 31.262  4.4105 10.850   1.7966  36.190  4.2343 26.333  7.7382 9.857523       8.820946 
1 1 1 24 8  34 o 58.358  2.8545 34.757   2.2951  59.087  3.4580 57.630  4.5426 1.456863       5.708996 
1 1 1 24 8  36 o 59.109  2.3883 35.556   1.9464  59.190  2.9126 59.029  3.7859 0.1605606      4.776618 
1 1 1 24 8  38 o 31.527  4.7298 11.214   2.0253  31.446  6.1063 31.607  7.2249 -0.1614857     9.459700 
1 1 1 24 8  40 o 20.341  5.4325 4.2751   2.1347  20.130  7.5332 20.551  7.8295 -0.4211693     10.86510 
1 1 1 24 8  42 o 38.007  4.4358 16.522   2.3266  35.423  6.5555 40.591  5.9775 -5.168072      8.871614 
1 1 1 24 8  44 o 29.455  5.2702 11.440   2.2056  32.072  6.3983 26.839  8.3763 5.233133       10.54039 
1 1 1 24 9  1  o 196.280 3.1438 386.089  8.6958  196.001 4.6585 196.559 4.2229 -0.5582886     6.287639 
1 1 1 24 9  3  o 147.197 1.8616 217.772  3.3852  148.310 1.7651 146.084 3.2781 2.225586       3.723125 
1 1 1 24 9  5  o 158.306 2.2147 247.850  4.4298  154.862 2.2265 161.750 3.8291 -6.887711      4.429313 
1 1 1 24 9  7  o 164.300 2.4006 269.609  5.4816  162.382 3.0277 166.218 3.7261 -3.836166      4.801174 
1 1 1 24 9  9  o 231.903 1.9412 537.493  6.2122  230.569 2.3816 233.237 3.0661 -2.668350      3.882361 
1 1 1 24 9  11 o 222.096 1.9380 491.422  5.8715  218.755 2.3059 225.438 3.1155 -6.683517      3.876008 
1 1 1 24 9  13 o 155.271 1.6083 241.938  3.3952  156.625 1.8753 153.917 2.6135 2.708405       3.216645 
1 1 1 24 9  15 o 237.476 2.0283 567.112  6.6417  241.363 2.4602 233.589 3.2255 7.773361       4.056653 
1 1 1 24 9  17 o 83.388  1.6225 70.440   1.7724  85.664  1.7143 81.111  2.7552 4.552780       3.244985 
1 1 1 24 9  19 o 70.391  1.7525 49.659   1.6861  70.630  2.0792 70.151  2.8216 0.4793472      3.504914 
1 1 1 24 9  21 o 95.828  1.7064 92.691   2.2123  98.146  1.9517 93.510  2.7996 4.636879       3.412727 
1 1 1 24 9  23 o 134.757 1.5922 181.712  3.0245  133.371 2.1543 136.143 2.3450 -2.772476      3.184350 
1 1 1 24 9  25 o 185.548 1.9641 345.717  4.8373  186.205 2.1603 184.890 3.2808 1.315170       3.928138 
1 1 1 24 9  27 o 88.891  1.7269 79.238   2.1709  88.639  2.4492 89.142  2.4353 -0.5028152     3.453880 
1 1 1 24 9  29 o 20.285  4.9908 3.6966   1.6937  20.244  6.1125 20.326  7.8912 -0.8243561E-01 9.981683 
1 1 1 24 9  31 o 34.013  4.1630 12.191   1.9070  41.302  4.9471 26.725  6.6970 14.57701       8.326091 
1 1 1 24 9  33 o 82.303  1.9277 68.059   2.2056  81.326  2.4339 83.281  2.9901 -1.955299      3.855430 
1 1 1 24 9  35 o 89.742  1.7111 81.145   2.1690  89.585  2.3520 89.900  2.4858 -0.3153229     3.422207 
1 1 1 24 9  37 o 45.678  3.6128 22.174   2.2915  48.674  4.4602 42.682  5.6847 5.991661       7.225536 
1 1 1 24 9  39 o 34.394  4.7328 13.485   2.2329  38.653  5.6165 30.135  7.6193 8.518173       9.465611 
1 1 1 24 9  41 o 25.593  5.4802 8.0452   2.1709  27.360  7.6433 23.827  7.8556 3.533449       10.96042 
1 1 1 24 9  43 o 30.857  4.3954 11.244   1.8429  31.845  6.4409 29.870  5.9827 1.974489       8.790784 
1 1 1 24 9  45 o 19.568  5.1823 4.3612   2.1051  23.856  7.8556 15.280  6.7613 8.575687       10.36461 
1 1 1 24 10 0  o 350.660 4.9914 1232.06  34.990  350.660 4.9914 ?       ?      0.000000       0.000000 
1 1 1 24 10 2  o 337.560 3.7577 1144.36  17.910  327.728 5.4941 347.392 5.1280 -19.66431      7.515453 
1 1 1 24 10 4  o 164.647 2.0986 271.284  4.1984  164.618 1.9394 164.677 3.7222 -0.5879211E-01 4.197149 
1 1 1 24 10 6  o 123.157 2.0664 151.734  3.2335  123.034 2.0759 123.280 3.5737 -0.2466049     4.132873 
1 1 1 24 10 8  o 128.908 2.4719 163.621  3.5718  126.158 2.0245 131.659 4.5102 -5.501015      4.943732 
1 1 1 24 10 10 o 156.252 2.2199 243.431  3.7240  155.531 1.6832 156.973 4.1083 -1.441788      4.439717 
1 1 1 24 10 12 o 129.012 1.9090 168.182  2.8507  130.738 1.6117 127.286 3.4612 3.452194       3.818071 
1 1 1 24 10 14 o 88.084  2.4147 77.060   2.4507  87.060  2.0535 89.107  4.3710 -2.047424      4.829345 
1 1 1 24 10 16 o 94.244  1.6337 90.092   2.1271  100.146 1.9765 88.342  2.6019 11.80345       3.267499 
1 1 1 24 10 18 o 170.079 1.8575 290.086  4.2937  170.849 2.1676 169.309 3.0170 1.539841       3.714928 
1 1 1 24 10 20 o 127.096 1.5399 162.551  2.7322  130.999 1.9496 123.193 2.3842 7.805862       3.079821 
1 1 1 24 10 22 o 82.392  1.6560 67.890   1.8815  81.906  2.0268 82.877  2.6194 -0.9711075     3.312026 
1 1 1 24 10 24 f 96.680  1.7555 94.302   2.3193  98.889  2.0662 94.471  2.8387 4.417374       3.510988 
1 1 1 24 10 26 o 68.852  2.3671 48.919   2.1246  73.133  2.4446 64.570  4.0543 8.563217       4.734280 
1 1 1 24 10 28 o 39.287  3.6586 16.736   1.7744  44.794  3.4210 33.780  6.4683 11.01418       7.317211 
1 1 1 24 10 30 o 41.691  2.9517 17.708   1.7145  43.109  3.7029 40.274  4.5977 2.834824       5.903386 
1 1 1 24 10 32 o 65.815  2.4397 43.765   2.2555  65.479  3.2179 66.152  3.6678 -0.6730957     4.879333 
1 1 1 24 10 34 f 33.679  4.5203 12.255   2.0746  33.333  6.3578 34.024  6.4274 -0.6905441     9.040616 
1 1 1 24 10 36 o 26.204  5.2640 7.8596   2.0412  25.866  7.6307 26.541  7.2534 -0.6745701     10.52802 
1 1 1 24 10 38 o 32.432  5.0776 12.015   2.1907  32.187  5.9767 32.677  8.2103 -0.4905777     10.15530 
1 1 1 24 10 40 o 49.842  3.5040 26.370   2.3188  49.345  3.8819 50.339  5.8347 -0.9933777     7.008049 
1 1 1 24 10 42 o 44.274  3.4179 21.465   2.0993  47.095  4.2030 41.454  5.3909 5.640266       6.835702 
1 1 1 24 10 44 o 16.838  5.1722 1.7982   2.2227  16.445  6.7628 17.230  7.8277 -0.7844219     10.34442 
1 1 1 24 11 1  o 165.972 2.7839 276.679  6.5071  161.231 4.1582 170.713 3.7028 -9.482346      5.567891 
1 1 1 24 11 3  o 218.708 3.0794 479.870  9.5099  215.413 4.5054 222.003 4.1991 -6.589767      6.158857 
1 1 1 24 11 5  o 101.294 2.3355 100.719  2.3611  99.209  1.6090 103.380 4.3852 -4.170776      4.671037 
1 1 1 24 11 7  o 61.412  2.8437 37.489   1.7075  60.945  1.8858 61.879  5.3657 -0.9335632     5.687431 
1 1 1 24 11 9  o 76.113  2.4457 57.326   1.9407  75.112  1.7851 77.113  4.5541 -2.000397      4.891458 
1 1 1 24 11 11 o 124.991 2.3285 155.867  2.9098  124.537 1.5894 125.444 4.3774 -0.9072342     4.656967 
1 1 1 24 11 13 o 144.383 2.0043 208.106  3.2681  143.839 1.6424 144.927 3.6567 -1.088516      4.008644 
1 1 1 24 11 15 o 99.355  2.0888 99.772   2.3046  100.539 1.6512 98.170  3.8374 2.369095       4.177563 
1 1 1 24 11 17 o 68.140  2.3970 47.007   1.7278  68.994  1.7584 67.286  4.4600 1.707718       4.794097 
1 1 1 24 11 19 o 55.236  3.6102 28.110   1.7940  50.885  2.2586 59.586  6.8580 -8.700729      7.220364 
1 1 1 24 11 21 o 78.966  2.2713 61.743   2.1424  77.506  2.0595 80.426  4.0489 -2.920525      4.542611 
1 1 1 24 11 23 o 84.620  2.0962 73.148   2.1537  87.182  1.9042 82.057  3.7350 5.125084       4.192366 
1 1 1 24 11 25 o 162.238 2.1392 267.472  4.2754  165.700 2.0038 158.776 3.7801 6.924057       4.278372 
1 1 1 24 11 27 o 99.886  2.2487 100.756  2.8733  101.017 2.2755 98.755  3.8793 2.262352       4.497439 
1 1 1 24 11 29 o 103.226 2.0941 105.853  2.6248  101.316 1.9537 105.135 3.7046 -3.819626      4.188201 
1 1 1 24 11 31 o 39.062  4.1946 16.611   1.9332  42.492  3.6064 35.632  7.5745 6.859974       8.389244 
1 1 1 24 11 33 o 22.886  4.7282 5.4890   1.7272  26.599  5.2273 19.172  7.8803 7.426380       9.456418 
1 1 1 24 11 35 o 34.707  4.5285 12.560   1.9289  32.537  4.5135 36.878  7.8521 -4.341171      9.056913 
1 1 1 24 11 37 o 41.174  4.6559 19.986   2.0992  46.642  3.4224 35.706  8.6602 10.93624       9.311886 
1 1 1 24 11 39 o 42.763  3.7612 19.640   2.1454  42.545  4.2022 42.982  6.2392 -0.4371300     7.522350 
1 1 1 24 11 41 o 27.256  5.3555 9.4446   2.2042  31.064  5.9683 23.449  8.8941 7.614359       10.71099 
1 1 1 24 11 43 o 19.746  5.2121 4.2789   2.1469  22.647  7.2452 16.846  7.4948 5.801365       10.42423 
1 1 1 24 12 0  o 71.527  5.3255 52.102   7.5344  71.527  5.3255 ?       ?      0.000000       0.000000 
1 1 1 24 12 2  o 143.708 2.7335 206.939  5.5550  144.618 3.8411 142.797 3.8901 1.821671       5.466940 
1 1 1 24 12 4  o 185.207 2.7791 343.220  7.2588  182.073 3.7874 188.341 4.0682 -6.268173      5.558282 
1 1 1 24 12 6  o 258.500 2.7795 666.402  9.2703  256.076 2.8924 260.924 4.7473 -4.848358      5.559056 
1 1 1 24 12 8  o 174.783 2.5355 304.105  5.1904  173.281 2.2109 176.285 4.5637 -3.003555      5.071054 
1 1 1 24 12 10 o 69.129  2.7001 49.452   1.7240  71.365  1.6105 66.893  5.1544 4.472702       5.400156 
1 1 1 24 12 12 o 250.850 2.4070 623.668  7.3490  246.553 2.2531 255.146 4.2543 -8.592300      4.814046 
1 1 1 24 12 14 o 181.551 2.0804 332.210  4.4978  183.301 1.8462 179.800 3.7288 3.501572       4.160772 
1 1 1 24 12 16 o 91.530  1.8849 83.715   1.9989  91.293  1.6086 91.766  3.4094 -0.4727173     3.769840 
1 1 1 24 12 18 o 212.337 2.1274 448.871  5.6241  210.068 2.0669 214.607 3.7190 -4.538940      4.254785 
1 1 1 24 12 20 o 128.189 1.9679 163.272  3.0505  126.534 1.8166 129.844 3.4914 -3.310005      3.935736 
1 1 1 24 12 22 o 36.905  4.7709 14.085   1.8885  37.391  3.5860 36.418  8.8423 0.9729462      9.541818 
1 1 1 24 12 24 o 81.691  2.2545 67.540   2.1991  82.736  2.0065 80.646  4.0379 2.090294       4.508944 
1 1 1 24 12 26 o 111.363 2.1203 123.074  2.8235  109.527 1.9238 113.198 3.7792 -3.670555      4.240667 
1 1 1 24 12 28 o 92.088  2.0289 86.795   2.4758  96.399  2.1858 87.776  3.4189 8.623009       4.057880 
1 1 1 24 12 30 o 52.833  3.2739 28.085   2.0572  52.215  2.9348 53.452  5.8532 -1.237404      6.547777 
1 1 1 24 12 32 o 21.203  5.4402 4.0980   2.0374  19.559  6.9707 22.847  8.3542 -3.287960      10.88043 
1 1 1 24 12 34 o 48.971  3.5541 25.684   2.1550  52.324  3.2948 45.619  6.2984 6.704334       7.108107 
1 1 1 24 12 36 o 49.963  3.1534 25.810   2.1246  49.079  3.6428 50.848  5.1484 -1.769390      6.306818 
1 1 1 24 12 38 o 17.059  4.9339 0.8563   2.1033  19.467  7.0826 14.651  6.8709 4.816253       9.867731 
1 1 1 24 12 40 o 38.018  4.9309 17.683   2.3188  43.687  4.3846 32.348  8.8335 11.33932       9.861801 
1 1 1 24 12 42 o 25.956  4.6031 8.6322   1.9052  32.746  4.8747 19.166  7.8097 13.57926       9.206219 
1 1 1 24 12 44 o 15.425  4.9229 0.6565   2.1367  14.065  6.2187 16.784  7.6334 -2.719397      9.845861 
1 1 1 24 13 1  o 104.490 3.2295 109.555  4.7309  104.132 4.9054 104.849 4.2019 -0.7171555     6.459008 
1 1 1 24 13 3  o 91.510  3.0346 83.912   3.9245  88.934  4.3077 94.086  4.2754 -5.151573      6.069261 
1 1 1 24 13 5  o 84.820  3.0617 72.162   3.6711  85.574  4.2530 84.065  4.4053 1.509705       6.123302 
1 1 1 24 13 7  o 58.336  3.1116 34.926   1.8446  59.881  2.1326 56.792  5.8463 3.088734       6.223112 
1 1 1 24 13 9  o 92.574  2.7746 88.497   2.8770  96.243  2.1893 88.905  5.0991 7.338089       5.549275 
1 1 1 24 13 11 o 93.665  2.3061 90.271   2.1424  96.396  1.5235 90.934  4.3534 5.462738       4.612290 
1 1 1 24 13 13 o 54.731  2.9926 29.847   1.5403  54.410  1.8776 55.053  5.6830 -0.6437912     5.985125 
1 1 1 24 13 15 o 116.717 2.2133 137.767  2.7900  118.109 1.6759 115.325 4.0971 2.784462       4.426564 
1 1 1 24 13 17 o 112.335 1.9315 127.241  2.5100  113.420 1.6326 111.250 3.5010 2.170067       3.862948 
1 1 1 24 13 19 o 136.288 2.2532 189.107  3.4864  139.159 1.8353 133.417 4.1158 5.742706       4.506445 
1 1 1 24 13 21 o 97.924  2.3119 97.600   2.3716  99.624  1.6664 96.223  4.3132 3.401321       4.623894 
1 1 1 24 13 23 o 65.568  2.5239 44.365   1.9437  68.202  2.1532 62.933  4.5656 5.269360       5.047893 
1 1 1 24 13 25 o 76.351  2.8463 60.757   2.2645  79.593  2.0055 73.108  5.3275 6.484650       5.692534 
1 1 1 24 13 27 o 21.948  4.7584 4.8047   1.6761  24.556  5.5849 19.341  7.7056 5.215208       9.516702 
1 1 1 24 13 29 o 88.612  2.4040 80.809   2.6172  91.838  2.2248 85.387  4.2623 6.450394       4.808034 
1 1 1 24 13 31 o 31.544  5.0557 11.504   2.0288  36.799  4.1643 26.289  9.2141 10.50928       10.11143 
1 1 1 24 13 33 o 36.734  4.4434 13.749   1.9581  34.403  4.2686 39.065  7.7946 -4.661568      8.886870 
1 1 1 24 13 35 o 26.177  4.8466 7.6889   1.7744  25.320  6.1127 27.034  7.5228 -1.714352      9.693202 
1 1 1 24 13 37 o 17.874  5.2101 1.6487   2.0585  14.257  6.2693 21.491  8.3233 -7.233500      10.42021 
1 1 1 24 13 39 o 17.354  4.8538 1.7594   1.9500  19.758  6.8600 14.949  6.8687 4.809545       9.707631 
1 1 1 24 13 41 o 19.504  5.2201 4.0784   2.0253  20.891  7.2458 18.117  7.5165 2.774546       10.44026 
1 1 1 24 13 43 f 23.611  5.4240 7.6894   2.1180  25.636  6.6642 21.587  8.5596 4.049078       10.84798 
1 1 1 24 14 0  o 72.615  5.1521 53.634   7.4067  72.615  5.1521 ?       ?      0.000000       0.000000 
1 1 1 24 14 2  o 134.173 3.0605 178.398  5.6918  127.237 3.9142 141.108 4.7059 -13.87082      6.121012 
1 1 1 24 14 4  o 39.430  6.3376 16.295   3.3713  41.813  6.7190 37.047  10.748 4.765553       12.67511 
1 1 1 24 14 6  o 126.810 2.1594 158.957  3.2630  124.363 1.9510 129.256 3.8531 -4.893143      4.318864 
1 1 1 24 14 8  o 236.126 2.4994 558.381  7.8092  235.677 2.7363 236.574 4.1834 -0.8975067     4.998825 
1 1 1 24 14 10 o 142.538 2.1158 205.113  3.9843  145.210 2.2865 139.867 3.5608 5.342468       4.231681 
1 1 1 24 14 12 f 22.185  4.5073 4.7787   1.2815  24.469  3.3923 19.901  8.3520 4.568020       9.014596 
1 1 1 24 14 14 o 44.701  3.1393 19.157   1.4201  42.562  2.2503 46.840  5.8616 -4.278309      6.278693 
1 1 1 24 14 16 o 45.085  3.1414 20.183   1.5973  44.453  2.5854 45.717  5.7263 -1.263630      6.282896 
1 1 1 24 14 18 o 55.831  2.9732 31.026   1.8655  55.194  2.4293 56.468  5.4275 -1.273956      5.946378 
1 1 1 24 14 20 o 64.447  3.0422 41.493   1.9689  64.073  2.0927 64.821  5.7132 -0.7477646     6.084415 
1 1 1 24 14 22 o 44.687  4.1555 20.950   1.8346  46.240  2.7617 43.134  7.8388 3.105843       8.311021 
1 1 1 24 14 24 o 15.389  4.4706 0.2285   1.5235  15.662  5.5363 15.115  7.0210 0.5473871      8.941217 
1 1 1 24 14 26 f 80.435  2.6722 65.203   2.3392  80.598  2.0597 80.272  4.9316 0.3260269      5.344470 
1 1 1 24 14 28 o 79.711  2.2877 65.177   2.3086  82.576  2.2424 76.846  3.9883 5.730278       4.575432 
1 1 1 24 14 30 o 50.465  3.3189 26.452   2.0523  52.148  3.0610 48.783  5.8899 3.364799       6.637855 
1 1 1 24 14 32 o 41.004  4.5084 18.265   2.1537  43.207  3.8422 38.800  8.1571 4.407158       9.016737 
1 1 1 24 14 34 o 20.805  5.7198 3.7705   2.2902  19.409  7.1896 22.201  8.8981 -2.792143      11.43964 
1 1 1 24 14 36 o 59.055  3.2783 37.199   2.4121  61.730  3.1031 56.380  5.7758 5.350044       6.556600 
1 1 1 24 14 38 f 15.735  5.0552 -0.9629  2.2227  12.748  5.9032 18.722  8.2080 -5.974352      10.11036 
1 1 1 24 14 40 o 29.502  5.6296 11.127   2.3843  30.374  7.0643 28.629  8.7673 1.744106       11.25919 
1 1 1 24 14 42 o 19.222  5.5372 4.1209   2.2520  17.666  7.0217 20.778  8.5637 -3.112152      11.07437 
1 1 1 24 15 1  f 18.680  5.8381 -1.8577  3.0299  19.154  8.4339 18.207  8.0749 0.9474220      11.67627 
1 1 1 24 15 3  o 61.068  4.0730 37.666   3.4304  60.184  6.4716 61.951  4.9472 -1.766792      8.145924 
1 1 1 24 15 5  o 62.649  4.0946 39.379   3.5440  61.839  5.0594 63.460  6.4394 -1.621223      8.189211 
1 1 1 24 15 7  o 200.036 2.4399 399.288  6.0504  198.594 2.3470 201.479 4.2783 -2.884735      4.879775 
1 1 1 24 15 9  o 263.870 2.8706 691.663  9.9765  257.909 3.1441 269.830 4.8036 -11.92075      5.741115 
1 1 1 24 15 11 o 119.252 2.5083 142.131  3.5756  118.782 2.2577 119.723 4.4799 -0.9407272     5.016628 
1 1 1 24 15 13 o 117.214 2.3526 138.712  2.8531  118.269 1.6736 116.158 4.3975 2.110649       4.705185 
1 1 1 24 15 15 o 68.011  3.5995 48.450   1.8389  70.456  1.6312 65.566  7.0117 4.890663       7.198908 
1 1 1 24 15 17 o 144.714 2.2453 209.025  3.5832  143.934 1.7744 145.495 4.1252 -1.560364      4.490643 
1 1 1 24 15 19 o 172.671 2.0862 298.026  4.3275  171.860 1.8948 173.482 3.7173 -1.622925      4.172370 
1 1 1 24 15 21 f 186.145 2.0141 352.171  4.6530  190.416 1.9113 181.874 3.5458 8.541931       4.028135 
1 1 1 24 15 23 o 87.761  2.8064 77.269   2.5745  87.595  2.0410 87.926  5.2285 -0.3308029     5.612767 
1 1 1 24 15 25 o 84.187  2.1061 73.671   2.1377  88.887  1.8677 79.487  3.7754 9.400124       4.212132 
1 1 1 24 15 27 o 61.310  3.2305 37.884   2.2192  61.012  2.6163 61.608  5.9075 -0.5951385     6.460934 
1 1 1 24 15 29 o 47.101  3.5279 23.440   2.0691  50.135  3.3113 44.066  6.2305 6.068680       7.055783 
1 1 1 24 15 31 o 61.171  2.8692 39.587   2.1213  65.235  2.5448 57.106  5.1432 8.128242       5.738391 
1 1 1 24 15 33 o 22.823  5.3711 4.9687   1.9503  16.431  6.4299 29.216  8.6054 -12.78500      10.74226 
1 1 1 24 15 35 o 22.032  5.8876 4.5408   2.4545  22.557  7.2481 21.506  9.2802 1.051460       11.77527 
1 1 1 24 15 37 o 21.215  5.6238 3.9793   2.3280  22.729  6.7890 19.702  8.9675 3.027512       11.24751 
1 1 1 24 15 39 o 14.761  4.8167 -1.7240  2.2230  14.160  6.2451 15.362  7.3349 -1.201929      9.633389 
1 1 1 24 15 41 o 24.035  5.4884 7.4796   2.5297  29.373  7.0377 18.697  8.4237 10.67584       10.97674 
1 1 1 24 16 0  o 93.027  4.5533 87.347   8.4283  93.027  4.5533 ?       ?      0.000000       0.000000 
1 1 1 24 16 2  o 111.517 2.9514 124.994  4.5919  110.650 4.5587 112.384 3.7498 -1.733650      5.902720 
1 1 1 24 16 4  o 166.144 2.8937 276.813  6.7927  168.853 4.1596 163.435 4.0240 5.417694       5.787435 
1 1 1 24 16 6  f 124.276 1.9714 154.219  3.0059  123.693 1.8583 124.860 3.4774 -1.166832      3.942770 
1 1 1 24 16 8  o 95.912  2.3549 92.246   2.6084  96.048  1.9943 95.776  4.2666 0.2718811      4.709722 
1 1 1 24 16 10 o 103.214 2.2541 107.211  2.9255  104.072 2.2087 102.355 3.9300 1.716805       4.508143 
1 1 1 24 16 12 o 46.757  3.6105 22.986   1.3905  48.717  1.8349 44.797  6.9841 3.919289       7.221084 
1 1 1 24 16 14 o 79.624  1.8992 63.415   1.7432  79.477  1.6068 79.772  3.4418 -0.2951584     3.798361 
1 1 1 24 16 16 o 121.650 2.0734 145.962  2.9022  118.993 1.7708 124.308 3.7496 -5.315201      4.146715 
1 1 1 24 16 18 o 86.757  2.5528 76.853   2.2290  88.425  1.7330 85.088  4.8026 3.336685       5.105678 
1 1 1 24 16 20 o 19.012  5.4812 1.8148   1.7770  14.762  5.7325 23.261  9.3442 -8.499367      10.96248 
1 1 1 24 16 22 f 34.669  4.3504 11.449   1.7060  31.045  3.9078 38.294  7.7739 -7.249502      8.700795 
1 1 1 24 16 24 o 66.091  3.1272 45.599   2.1678  68.819  2.2267 63.363  5.8446 5.455898       6.254436 
1 1 1 24 16 26 o 42.809  3.7409 18.824   1.8284  43.465  3.0849 42.153  6.8162 1.312138       7.481826 
1 1 1 24 16 28 o 34.133  5.3184 12.108   1.9503  33.825  3.9641 34.441  9.8704 -0.6161842     10.63671 
1 1 1 24 16 30 o 78.977  2.2768 63.951   2.2583  81.004  2.2071 76.950  3.9829 4.054283       4.553521 
1 1 1 24 16 32 o 84.341  2.6273 73.939   3.0169  88.250  3.0388 80.432  4.2868 7.818237       5.254587 
1 1 1 24 16 34 o 45.091  3.3255 21.352   1.9921  45.330  3.6623 44.852  5.5519 0.4771004      6.651039 
1 1 1 24 16 36 o 39.745  4.4434 16.627   2.3439  34.141  5.4235 45.349  7.0398 -11.20805      8.886731 
1 1 1 24 16 38 o 29.933  5.6673 10.797   2.2754  26.505  6.7303 33.361  9.1200 -6.856386      11.33452 
1 1 1 24 16 40 o 33.310  5.1248 13.992   2.2520  34.876  5.3092 31.744  8.7673 3.132479       10.24958 
1 1 1 24 17 1  o 89.696  3.0511 80.875   3.8627  86.988  4.4775 92.403  4.1460 -5.415802      6.102231 
1 1 1 24 17 3  o 170.367 2.8446 291.839  6.8225  166.505 4.2566 174.229 3.7747 -7.724716      5.689171 
1 1 1 24 17 5  o 120.588 1.9607 145.169  2.7656  120.091 1.7014 121.086 3.5330 -0.9945221     3.921351 
1 1 1 24 17 7  o 110.609 2.1882 122.078  2.7917  110.046 1.8567 111.172 3.9629 -1.126205      4.376321 
1 1 1 24 17 9  o 185.041 2.5474 343.279  5.8104  185.042 2.4154 185.040 4.4858 0.1663208E-02  5.094775 
1 1 1 24 17 11 o 203.282 2.1254 416.344  5.2603  205.084 1.9614 201.480 3.7712 3.604324       4.250783 
1 1 1 24 17 13 o 86.927  2.8127 77.814   2.2906  89.225  1.7175 84.630  5.3567 4.594673       5.625306 
1 1 1 24 17 15 o 35.156  5.0279 13.420   1.4197  37.270  2.3985 33.042  9.7656 4.227730       10.05582 
1 1 1 24 17 17 o 37.952  4.7567 15.491   1.6990  40.046  2.8700 35.858  9.0701 4.187973       9.513341 
1 1 1 24 17 19 o 53.809  3.1435 30.017   1.7383  55.643  2.1802 51.974  5.8969 3.669605       6.286997 
1 1 1 24 17 21 o 99.460  2.2502 98.170   2.4991  98.050  1.8234 100.870 4.1145 -2.819931      4.500388 
1 1 1 24 17 23 o 47.750  3.2686 23.114   1.8153  47.956  2.7960 47.543  5.9092 0.4125443      6.537293 
1 1 1 24 17 25 o 19.969  5.9390 1.5354   2.2095  15.272  6.2674 24.667  10.090 -9.394438      11.87798 
1 1 1 24 17 27 f 24.591  5.6113 6.0275   2.0140  21.947  6.5160 27.234  9.1373 -5.286837      11.22268 
1 1 1 24 17 29 o 52.324  4.2615 30.049   2.3779  56.509  3.0508 48.139  7.9582 8.369682       8.522941 
1 1 1 24 17 31 o 74.361  2.8333 57.269   2.4248  75.560  2.3661 73.162  5.1491 2.397575       5.666698 
1 1 1 24 17 33 o 29.629  5.3760 10.268   2.2447  28.745  7.1329 30.514  8.0454 -1.768600      10.75204 
1 1 1 24 17 35 o 33.359  4.6286 12.735   2.0897  32.141  6.1803 34.577  6.8920 -2.436405      9.257195 
1 1 1 24 17 37 o 19.519  5.1231 3.7544   1.9921  21.547  6.8569 17.491  7.6136 4.055855       10.24614 
1 1 1 24 17 39 o 16.824  4.9415 1.7878   2.0629  18.920  7.2368 14.727  6.7306 4.192103       9.882966 
1 1 1 24 17 41 o 27.531  5.7390 10.456   2.2714  24.061  7.1666 31.002  8.9658 -6.941505      11.47809 
1 1 1 24 18 0  o 194.191 4.8401 378.761  18.772  194.191 4.8401 ?       ?      0.000000       0.000000 
1 1 1 24 18 2  o 161.471 3.1748 260.995  7.1963  157.656 4.2120 165.286 4.7515 -7.630234      6.349625 
1 1 1 24 18 4  o 136.527 2.3985 176.858  3.1106  129.253 1.5808 143.801 4.5290 -14.54739      4.796963 
1 1 1 24 18 6  o 101.863 2.4742 104.224  2.8291  102.154 2.0001 101.571 4.5261 0.5837784      4.948381 
1 1 1 24 18 8  o 48.618  4.1888 23.270   1.8572  47.635  2.5468 49.602  7.9810 -1.967049      8.377505 
1 1 1 24 18 10 o 90.661  2.6017 81.352   2.2185  89.515  1.6406 91.807  4.9379 -2.292252      5.203329 
1 1 1 24 18 12 o 50.868  3.3473 24.602   1.6437  48.034  2.2598 53.702  6.3016 -5.668335      6.694527 
1 1 1 24 18 14 o 45.509  3.5664 20.118   1.4735  44.018  2.1758 46.999  6.7927 -2.981167      7.132703 
1 1 1 24 18 16 o 61.018  3.4093 37.854   2.1892  61.709  2.4833 60.328  6.3504 1.381588       6.818635 
1 1 1 24 18 18 o 59.333  2.2754 35.691   1.8701  61.886  2.7857 56.780  3.5984 5.105370       4.550716 
1 1 1 24 18 20 o 50.985  2.7223 26.208   1.9218  51.276  3.3621 50.694  4.2824 0.5824318      5.444551 
1 1 1 24 18 22 o 26.752  4.4189 7.7657   1.5902  29.923  4.2677 23.581  7.7392 6.341667       8.837873 
1 1 1 24 18 24 o 21.459  5.3692 4.2700   2.0113  20.849  7.1288 22.068  8.0307 -1.219383      10.73834 
1 1 1 24 18 26 o 71.468  2.4636 51.683   2.4885  70.508  3.4412 72.428  3.5263 -1.920113      4.927125 
1 1 1 24 18 28 o 76.243  2.0525 58.948   2.2024  79.772  2.7214 72.714  3.0734 7.058075       4.105071 
1 1 1 24 18 30 o 21.321  5.2919 4.2397   2.1454  24.263  6.9880 18.379  7.9489 5.884008       10.58378 
1 1 1 24 18 32 o 26.714  6.0640 8.2580   2.4689  27.302  6.7998 26.127  10.042 1.175276       12.12794 
1 1 1 24 18 34 o 20.032  5.4004 3.8949   2.1709  21.987  7.8237 18.078  7.4462 3.908752       10.80073 
1 1 1 24 18 36 o 42.064  4.6518 21.193   2.4312  48.517  4.3429 35.611  8.2276 12.90580       9.303499 
1 1 1 24 18 38 o 18.459  4.9039 2.9850   1.9933  21.921  6.9887 14.996  6.8812 6.925301       9.807780 
1 1 1 24 18 40 o 17.008  5.2872 1.9642   2.3440  15.025  6.6507 18.991  8.2210 -3.966305      10.57432 
1 1 1 24 19 1  o 42.263  6.4933 18.828   3.7774  36.366  9.5384 48.160  8.8132 -11.79367      12.98667 
1 1 1 24 19 3  o 76.080  3.2795 55.752   1.5187  73.915  1.2094 78.246  6.4466 -4.330956      6.559071 
1 1 1 24 19 5  o 168.835 2.5965 280.187  4.9748  164.345 2.1757 173.326 4.7153 -8.980911      5.193057 
1 1 1 24 19 7  o 195.368 2.6709 380.116  6.4767  192.696 2.5846 198.040 4.6750 -5.344345      5.341849 
1 1 1 24 19 9  o 147.068 2.0846 219.860  3.5897  150.046 1.7873 144.091 3.7666 5.955231       4.169105 
1 1 1 24 19 11 o 145.405 2.0429 210.772  3.7104  143.947 1.9961 146.863 3.5651 -2.916138      4.085816 
1 1 1 24 19 13 o 68.383  1.6224 46.913   1.5585  68.952  2.1298 67.814  2.4480 1.138374       3.244844 
1 1 1 24 19 15 o 49.900  2.1948 25.213   1.5297  52.788  2.7820 47.012  3.3955 5.776417       4.389616 
1 1 1 24 19 17 o 79.423  1.7127 62.944   1.8815  77.884  2.1315 80.962  2.6814 -3.078613      3.425383 
1 1 1 24 19 19 f 131.895 1.6686 174.867  3.0806  133.835 2.1469 129.956 2.5549 3.879044       3.337147 
1 1 1 24 19 21 o 107.966 1.6386 117.220  2.4754  109.093 2.1070 106.840 2.5100 2.252953       3.277165 
1 1 1 24 19 23 o 53.843  2.5159 29.226   1.9070  52.754  3.3890 54.932  3.7195 -2.177998      5.031896 
1 1 1 24 19 25 o 91.084  1.9684 83.528   2.4894  90.607  2.4664 91.561  3.0684 -0.9540176     3.936764 
1 1 1 24 19 27 o 55.193  2.5360 30.949   1.9773  54.702  3.5017 55.684  3.6693 -0.9824944     5.072075 
1 1 1 24 19 29 o 45.222  3.0818 21.378   1.9469  48.779  3.9269 41.665  4.7506 7.113895       6.163517 
1 1 1 24 19 31 o 14.594  4.6360 -1.5344  2.0412  12.708  5.9803 16.480  7.0856 -3.772142      9.272021 
1 1 1 24 19 33 o 50.114  3.5000 26.375   2.4312  45.319  4.6494 54.908  5.2329 -9.588894      7.000000 
1 1 1 24 19 35 o 28.009  5.6125 9.8085   2.3091  27.973  7.4123 28.046  8.4296 -0.7319450E-01 11.22498 
1 1 1 24 19 37 o 18.634  5.5978 2.7101   2.5824  19.157  7.9404 18.112  7.8924 1.045376       11.19554 
1 1 1 24 19 39 o 16.593  5.2462 0.5613   2.5761  13.936  6.5765 19.249  8.1756 -5.313143      10.49244 
1 1 1 24 20 0  o 113.513 5.1983 130.255  11.748  113.513 5.1983 ?       ?      0.000000       0.000000 
1 1 1 24 20 2  o 138.532 2.4712 188.975  3.5355  135.719 1.7878 141.345 4.6077 -5.626526      4.942350 
1 1 1 24 20 4  o 103.521 2.6571 106.744  2.6655  102.773 1.7396 104.270 5.0213 -1.496582      5.314137 
1 1 1 24 20 6  o 41.062  3.6260 15.807   1.6521  37.415  3.0718 44.710  6.5693 -7.294731      7.251993 
1 1 1 24 20 8  o 94.431  1.5065 89.340   2.0108  93.989  2.1739 94.873  2.0863 -0.8841553     3.013072 
1 1 1 24 20 10 o 100.018 1.5446 100.471  2.1540  101.311 1.9537 98.724  2.3930 2.587395       3.089270 
1 1 1 24 20 12 o 66.789  1.7707 44.921   1.6503  68.381  2.2410 65.197  2.7422 3.183830       3.541423 
1 1 1 24 20 14 o 115.412 1.6353 132.835  2.5848  113.409 1.9705 117.414 2.6103 -4.004768      3.270553 
1 1 1 24 20 16 o 68.281  1.8539 46.549   1.7673  66.574  2.3977 69.988  2.8282 -3.413239      3.707771 
1 1 1 24 20 18 o 57.768  2.1984 33.366   1.7513  56.490  2.7127 59.047  3.4603 -2.557190      4.396886 
1 1 1 24 20 20 f 38.639  3.3287 15.136   1.8147  37.185  4.6362 40.092  4.7778 -2.907703      6.657438 
1 1 1 24 20 22 o 44.790  2.6092 20.282   1.5775  44.740  2.9970 44.840  4.2719 -0.9962845E-01 5.218311 
1 1 1 24 20 24 o 31.970  4.1952 10.806   1.8495  32.992  5.4189 30.948  6.4060 2.043938       8.390492 
1 1 1 24 20 26 o 40.969  3.4249 17.297   1.9773  38.360  4.9935 43.578  4.6887 -5.217960      6.849738 
1 1 1 24 20 28 o 40.852  3.4875 17.501   2.0067  41.102  4.6604 40.602  5.1896 0.5000153      6.975057 
1 1 1 24 20 30 o 56.651  2.8406 33.395   2.2626  55.209  4.2792 58.094  3.7369 -2.885929      5.681155 
1 1 1 24 20 32 o 20.363  5.5141 4.0828   2.2183  22.517  8.2452 18.208  7.3237 4.308588       11.02811 
1 1 1 24 20 34 o 24.850  5.3328 7.3457   2.0354  28.918  7.9337 20.783  7.1283 8.134232       10.66566 
1 1 1 24 20 36 o 16.249  4.9879 1.0506   2.0374  13.784  6.1443 18.715  7.8591 -4.931393      9.975858 
1 1 1 24 20 38 o 22.048  5.8289 6.8030   2.4379  22.319  8.5553 21.778  7.9190 0.5411930      11.65776 
1 1 1 24 21 1  o 57.133  0.9979 32.334   0.7662  58.689  1.6319 55.577  1.1489 3.112118       1.995756 
1 1 1 24 21 3  o 57.436  3.3890 30.839   1.7038  53.679  2.0221 61.192  6.4693 -7.513187      6.777979 
1 1 1 24 21 5  o 71.452  1.3606 51.184   1.3720  70.243  1.9998 72.661  1.8454 -2.417694      2.721129 
1 1 1 24 21 7  o 136.210 1.6974 186.172  3.2363  137.056 2.1896 135.363 2.5943 1.693115       3.394829 
1 1 1 24 21 9  o 130.688 1.5520 171.491  2.7979  131.676 1.8911 129.700 2.4615 1.976227       3.104065 
1 1 1 24 21 11 o 59.527  1.7889 36.095   1.4436  62.552  2.0415 56.501  2.9382 6.051144       3.577821 
1 1 1 24 21 13 o 78.302  1.7362 61.569   1.9070  79.091  2.2604 77.513  2.6360 1.578018       3.472441 
1 1 1 24 21 15 o 30.681  3.6403 9.7372   1.5297  32.184  4.5630 29.178  5.6733 3.006256       7.280589 
1 1 1 24 21 17 o 39.242  2.8188 15.566   1.5637  38.437  3.9868 40.046  3.9860 -1.609032      5.637621 
1 1 1 24 21 19 o 19.869  4.4790 3.6304   1.5637  24.205  6.2788 15.532  6.3892 8.672378       8.958018 
1 1 1 24 21 21 o 23.455  5.0667 5.5351   1.9427  28.246  7.2085 18.663  7.1220 9.582899       10.13340 
1 1 1 24 21 23 o 34.895  4.3522 13.496   2.0108  42.944  4.6092 26.845  7.3840 16.09905       8.704496 
1 1 1 24 21 25 f 26.027  5.6857 7.4050   2.3440  23.866  8.9328 28.187  7.0365 -4.321373      11.37134 
1 1 1 24 21 27 o 34.831  4.3049 13.301   2.0412  39.961  5.2728 29.702  6.8064 10.25868       8.609899 
1 1 1 24 21 29 o 30.761  4.7194 10.815   2.0412  26.006  7.6177 35.516  5.5732 -9.510027      9.438749 
1 1 1 24 21 31 o 31.589  4.5851 11.489   1.9773  31.530  6.2981 31.648  6.6653 -0.1183338     9.170205 
1 1 1 24 21 33 o 27.970  5.6891 9.9025   2.5185  22.951  8.5392 32.989  7.5196 -10.03808      11.37813 
1 1 1 24 21 35 o 31.083  5.1514 12.195   2.3625  24.332  8.1948 37.834  6.2443 -13.50201      10.30272 
1 1 1 24 21 37 o 22.397  5.5559 6.8163   2.1913  19.811  7.5043 24.982  8.1948 -5.170965      11.11170 
1 1 1 24 22 0  o 20.500  3.7937 4.5972   1.4047  20.500  3.7937 ?       ?      0.000000       0.000000 
1 1 1 24 22 2  f 47.279  1.5279 22.352   1.0176  48.286  2.2480 46.272  2.0698 2.013023       3.055757 
1 1 1 24 22 4  o 81.730  1.3392 67.059   1.5085  82.450  1.6263 81.010  2.1281 1.439919       2.678334 
1 1 1 24 22 6  o 156.700 1.6737 246.607  3.6089  157.731 2.0240 155.670 2.6661 2.061691       3.347339 
1 1 1 24 22 8  o 28.237  2.4409 8.1090   0.9578  25.184  3.8030 31.290  3.0609 -6.105335      4.881811 
1 1 1 24 22 10 o 100.259 1.8035 100.851  2.4538  100.403 2.0986 100.116 2.9337 0.2871704      3.607070 
1 1 1 24 22 12 o 18.219  3.6072 2.8699   1.2098  24.451  4.8732 11.988  5.3197 12.46270       7.214386 
1 1 1 24 22 14 o 110.100 1.7281 121.790  2.6680  110.711 2.2493 109.489 2.6242 1.221222       3.456275 
1 1 1 24 22 16 o 100.650 1.8627 101.691  2.6402  99.445  2.5041 101.856 2.7582 -2.411835      3.725342 
1 1 1 24 22 18 o 16.492  4.5045 1.4251   1.5937  13.936  6.1396 19.047  6.5930 -5.111722      9.009028 
1 1 1 24 22 20 o 37.536  3.3729 14.430   1.7878  38.727  4.6164 36.346  4.9189 2.381435       6.745891 
1 1 1 24 22 22 o 19.532  4.9050 3.5331   1.7216  21.432  7.1288 17.632  6.7392 3.800575       9.810012 
1 1 1 24 22 24 o 23.483  4.3249 6.1243   1.5218  19.400  6.8478 27.566  5.2844 -8.165052      8.649705 
1 1 1 24 22 26 o 23.094  5.2277 5.3750   2.0897  29.091  7.7571 17.097  7.0103 11.99335       10.45547 
1 1 1 24 22 28 o 39.123  3.9740 16.744   2.1051  42.798  4.7741 35.448  6.3545 7.349617       7.948079 
1 1 1 24 22 30 o 52.786  3.3165 29.673   2.4379  52.002  5.1569 53.570  4.1717 -1.567856      6.633022 
1 1 1 24 22 32 o 46.596  3.0485 22.767   1.9702  43.932  3.9242 49.260  4.6663 -5.328182      6.096983 
1 1 1 24 22 34 o 19.426  5.1906 4.1128   2.0108  21.514  7.4886 17.337  7.1897 4.177496       10.38128 
1 1 1 24 22 36 o 18.125  5.5370 2.8094   2.6179  19.083  8.0379 17.167  7.6173 1.915995       11.07394 
1 1 1 24 23 1  o 42.482  2.0201 18.013   1.1997  41.146  2.6381 43.818  3.0601 -2.671856      4.040217 
1 1 1 24 23 3  f 37.624  1.9812 14.035   1.0293  35.862  2.4926 39.385  3.0802 -3.522831      3.962439 
1 1 1 24 23 5  o 73.465  1.4859 54.057   1.5085  73.353  1.8280 73.577  2.3431 -0.2238846     2.971764 
1 1 1 24 23 7  o 78.249  1.6545 60.981   1.7744  76.486  2.0035 80.013  2.6334 -3.526062      3.308918 
1 1 1 24 23 9  o 71.349  1.9593 50.555   1.9464  75.203  2.9717 67.494  2.5542 7.708450       3.918522 
1 1 1 24 23 11 o 72.813  1.8986 52.872   1.9050  70.803  2.3447 74.822  2.9868 -4.019188      3.797150 
1 1 1 24 23 13 o 114.174 1.6653 130.903  2.6680  114.263 2.1793 114.085 2.5185 0.1785507      3.330535 
1 1 1 24 23 15 o 48.613  2.5780 23.896   1.7507  42.926  3.8673 54.299  3.4101 -11.37243      5.156094 
1 1 1 24 23 17 o 60.535  2.0950 37.031   1.7855  59.094  3.1334 61.977  2.7816 -2.883602      4.189964 
1 1 1 24 23 19 o 37.535  3.2648 14.539   1.6432  38.531  3.6456 36.539  5.4171 1.992458       6.529605 
1 1 1 24 23 21 o 53.370  2.5900 28.938   1.9427  48.809  3.7937 57.931  3.5270 -9.122341      5.179960 
1 1 1 24 23 23 o 44.171  3.0426 20.205   1.8787  39.189  4.5620 49.153  4.0269 -9.964123      6.085104 
1 1 1 24 23 25 o 18.371  5.0076 2.5670   1.8571  21.554  7.7040 15.189  6.3994 6.365539       10.01516 
1 1 1 24 23 27 o 25.398  5.1952 7.2983   2.1051  30.837  7.1695 19.959  7.5205 10.87737       10.39037 
1 1 1 24 23 29 o 23.734  5.5632 6.5766   2.2348  20.924  7.8688 26.545  7.8664 -5.621206      11.12644 
1 1 1 24 23 31 o 40.071  4.1676 17.951   2.3556  39.057  5.7218 41.085  6.0610 -2.027969      8.335167 
1 1 1 24 23 33 o 33.358  5.1978 14.085   2.3940  30.547  7.7249 36.168  6.9566 -5.621704      10.39560 
1 1 1 24 23 35 o 18.776  5.1281 3.9917   1.9608  21.796  7.8169 15.756  6.6397 6.040376       10.25621 
1 1 1 24 24 0  o 74.627  2.3150 55.933   3.4479  74.627  2.3150 ?       ?      0.000000       0.000000 
1 1 1 24 24 2  o 53.150  1.7413 28.331   1.3082  53.866  2.4892 52.433  2.4355 1.432850       3.482510 
1 1 1 24 24 4  o 29.571  2.6018 8.7888   1.0817  27.102  3.7695 32.040  3.5871 -4.938536      5.203523 
1 1 1 24 24 6  o 17.480  3.8435 2.9897   1.0817  20.300  5.5179 14.661  5.3520 5.639134       7.687026 
1 1 1 24 24 8  o 112.665 1.7456 127.892  2.6921  113.952 2.0732 111.379 2.8090 2.572388       3.491253 
1 1 1 24 24 10 f 109.983 1.6705 120.892  2.5383  107.983 2.0695 111.983 2.6228 -3.999641      3.340991 
1 1 1 24 24 12 o 26.047  4.1570 7.1974   1.4944  28.382  5.8245 23.712  5.9328 4.669323       8.314004 
1 1 1 24 24 14 o 39.605  2.7887 15.780   1.5480  37.407  3.7552 41.804  4.1239 -4.397606      5.577484 
1 1 1 24 24 16 o 22.286  4.6037 5.2282   1.6226  18.817  6.9438 25.756  6.0466 -6.939646      9.207464 
1 1 1 24 24 18 o 46.822  2.7001 22.288   1.7855  45.079  3.8243 48.565  3.8128 -3.485497      5.400254 
1 1 1 24 24 20 o 49.184  2.8084 24.801   1.9469  50.890  3.7640 47.478  4.1690 3.412220       5.616797 
1 1 1 24 24 22 o 21.330  5.2520 4.7856   1.9427  21.540  7.5976 21.120  7.2534 0.4204311      10.50406 
1 1 1 24 24 24 o 18.525  5.2337 2.1765   2.1690  16.123  7.1107 20.926  7.6816 -4.803181      10.46748 
1 1 1 24 24 26 o 26.547  4.6986 8.0335   2.0897  18.321  7.6134 34.774  5.5085 -16.45316      9.397228 
1 1 1 24 24 28 o 27.406  5.2136 9.1532   2.1409  23.494  8.2800 31.319  6.3377 -7.824778      10.42713 
1 1 1 24 24 30 o 30.426  5.1594 11.402   2.2329  35.184  6.7750 25.668  7.7831 9.515324       10.31880 
1 1 1 24 24 32 o 34.002  5.4380 14.949   2.5666  39.402  7.4026 28.601  7.9680 10.80049       10.87602 
1 1 1 24 24 34 o 22.651  5.4278 7.0903   2.0746  22.327  7.7307 22.975  7.6210 -0.6481972     10.85561 
1 1 1 24 25 1  o 21.410  4.1334 4.8215   1.3082  24.005  5.6693 18.815  6.0166 5.190075       8.266821 
1 1 1 24 25 3  o 58.475  1.7371 34.332   1.4359  59.233  2.4793 57.716  2.4338 1.517075       3.474247 
1 1 1 24 25 5  o 45.101  2.1561 20.370   1.3542  43.933  2.7614 46.268  3.3120 -2.334747      4.312136 
1 1 1 24 25 7  o 62.047  2.2527 39.230   1.8389  63.784  2.4025 60.310  3.8113 3.474346       4.505364 
1 1 1 24 25 9  o 98.582  1.8560 97.918   2.4966  99.217  2.1880 97.948  2.9987 1.269547       3.712078 
1 1 1 24 25 11 o 41.207  2.9605 17.240   1.7216  39.140  4.2414 43.274  4.1314 -4.133289      5.921019 
1 1 1 24 25 13 o 58.383  2.0500 34.378   1.6914  56.697  2.9280 60.068  2.8700 -3.370838      4.100025 
1 1 1 24 25 15 o 81.059  2.0052 66.341   2.2986  80.862  2.8427 81.256  2.8289 -0.3938599     4.010386 
1 1 1 24 25 17 o 91.044  1.8598 83.644   2.3940  91.032  2.6653 91.055  2.5946 -0.2210999E-01 3.719644 
1 1 1 24 25 19 o 63.588  2.4900 41.382   2.2275  63.403  3.7261 63.772  3.3040 -0.3693924     4.980028 
1 1 1 24 25 21 o 82.670  2.0524 69.602   2.3906  81.570  3.0528 83.769  2.7440 -2.199188      4.104753 
1 1 1 24 25 23 o 45.977  4.5099 23.416   2.5480  44.233  7.9388 47.722  4.2815 -3.489258      9.019714 
1 1 1 24 25 25 o 17.687  5.0477 2.2533   1.9773  15.914  6.7961 19.460  7.4652 -3.545331      10.09536 
1 1 1 24 25 27 o 13.919  4.4041 -0.6613  1.7787  13.886  6.3120 13.953  6.1437 -0.6694508E-01 8.808249 
1 1 1 24 25 29 o 37.478  4.2422 16.090   2.1634  35.480  6.7227 39.476  5.1759 -3.995914      8.484359 
1 1 1 24 25 31 f 40.769  4.1534 19.337   2.3940  39.997  5.9067 41.542  5.8407 -1.544910      8.306768 
1 1 1 24 25 33 o 36.548  4.5248 16.962   2.1540  43.009  4.6022 30.088  7.7919 12.92119       9.049523 
1 1 1 24 26 0  o 84.250  2.5821 71.385   4.3418  84.250  2.5821 ?       ?      0.000000       0.000000 
1 1 1 24 26 2  o 113.090 1.6211 127.999  2.5540  111.031 2.0703 115.150 2.4952 -4.119026      3.242257 
1 1 1 24 26 4  o 83.890  1.6984 70.789   2.0067  83.336  2.5284 84.444  2.2684 -1.107246      3.396813 
1 1 1 24 26 6  o 84.159  2.0118 71.308   2.3906  83.047  2.7679 85.271  2.9203 -2.224342      4.023570 
1 1 1 24 26 8  f 79.032  1.8348 62.984   2.0352  79.994  2.3946 78.070  2.7807 1.924820       3.669668 
1 1 1 24 26 10 o 55.734  1.9848 31.321   1.5637  54.427  2.8156 57.042  2.7984 -2.615147      3.969684 
1 1 1 24 26 12 o 43.306  2.7109 19.091   1.6601  42.938  3.8663 43.675  3.8011 -0.7371979     5.421875 
1 1 1 24 26 14 o 52.045  2.6192 27.669   1.9070  50.757  4.0255 53.333  3.3522 -2.576118      5.238481 
1 1 1 24 26 16 f 45.459  3.0191 21.318   1.9070  51.827  3.9424 39.091  4.5735 12.73564       6.038153 
1 1 1 24 26 18 o 33.046  4.3929 11.913   2.0067  36.099  5.8369 29.993  6.5667 6.106001       8.785851 
1 1 1 24 26 20 o 55.001  2.7949 31.351   2.1709  56.684  3.8298 53.318  4.0717 3.366608       5.589838 
1 1 1 24 26 22 o 31.636  4.8596 11.668   2.0813  27.517  8.3342 35.754  5.0003 -8.237240      9.719154 
1 1 1 24 26 24 f 20.088  5.2485 4.2224   1.9773  20.354  7.3384 19.822  7.5055 0.5312138      10.49691 
1 1 1 24 26 26 o 15.976  4.7306 1.0855   1.8517  14.013  6.3032 17.940  7.0559 -3.927259      9.461274 
1 1 1 24 26 28 o 17.034  5.1938 1.3480   2.2702  17.080  7.5583 16.988  7.1258 0.9187508E-01  10.38769 
1 1 1 24 26 30 o 32.782  5.5039 14.254   2.5217  30.908  8.1472 34.655  7.4025 -3.747276      11.00789 
1 1 1 24 26 32 o 38.571  4.8808 19.189   2.4894  34.615  8.2265 42.527  5.2549 -7.912464      9.761594 
1 1 1 24 27 1  o 14.166  4.0984 -0.3193  1.4686  17.539  6.4154 10.794  5.1020 6.745090       8.196787 
1 1 1 24 27 3  o 56.264  2.1701 31.947   1.7145  56.731  3.2639 55.797  2.8609 0.9348183      4.340229 
1 1 1 24 27 5  o 61.729  2.2912 38.632   1.9464  61.221  3.6503 62.237  2.7700 -1.015850      4.582309 
1 1 1 24 27 7  o 54.927  2.2560 29.627   1.5726  57.872  3.8616 51.983  2.3338 5.889175       4.512000 
1 1 1 24 27 9  o 76.327  2.1409 58.870   2.2702  76.047  2.6868 76.606  3.3340 -0.5585251     4.281836 
1 1 1 24 27 11 o 44.225  2.6092 19.929   1.6226  44.033  3.9152 44.417  3.4500 -0.3848381     5.218374 
1 1 1 24 27 13 o 42.759  3.2502 19.287   1.9134  38.079  5.1980 47.439  3.9032 -9.359818      6.500345 
1 1 1 24 27 15 o 27.269  4.8345 8.4564   1.8830  30.091  6.3510 24.446  7.2907 5.644634       9.668979 
1 1 1 24 27 17 o 70.341  2.1828 50.506   2.1709  71.204  3.0489 69.479  3.1246 1.724678       4.365617 
1 1 1 24 27 19 o 69.301  2.2792 49.057   2.2275  67.231  3.1341 71.370  3.3102 -4.139664      4.558461 
1 1 1 24 27 21 o 72.974  2.2621 54.883   2.3301  71.151  3.3203 74.797  3.0731 -3.646019      4.524254 
1 1 1 24 27 23 o 58.639  3.3500 37.167   2.6952  54.303  5.4088 62.976  3.9542 -8.672504      6.700006 
1 1 1 24 27 25 o 19.596  5.2505 2.9826   2.3091  15.383  7.0976 23.809  7.7392 -8.426373      10.50100 
1 1 1 24 27 27 o 18.033  5.0359 1.9812   2.1690  13.783  6.4575 22.282  7.7292 -8.498954      10.07177 
1 1 1 24 27 29 o 29.257  5.8389 11.931   2.5120  30.461  8.4904 28.052  8.0179 2.408573       11.67787 
1 1 1 24 28 0  o 48.672  3.5807 24.263   3.4479  48.672  3.5807 ?       ?      0.000000       0.000000 
1 1 1 24 28 2  o 29.953  3.9942 9.6902   1.6226  26.453  6.5445 33.452  4.5810 -6.998196      7.988474 
1 1 1 24 28 4  o 35.942  3.5976 13.341   1.8147  39.342  4.8689 32.542  5.2977 6.800201       7.195242 
1 1 1 24 28 6  o 25.197  4.4739 6.8448   1.5324  26.072  7.1399 24.322  5.3929 1.749437       8.947753 
1 1 1 24 28 8  o 26.876  4.2819 7.5446   1.4711  29.626  6.9994 24.126  4.9342 5.500235       8.563737 
1 1 1 24 28 10 o 29.249  4.4160 9.3692   1.8147  33.979  5.6374 24.519  6.7987 9.459940       8.831944 
1 1 1 24 28 12 o 31.998  4.0596 11.110   1.7878  29.539  6.2450 34.457  5.1885 -4.918163      8.119148 
1 1 1 24 28 14 o 58.700  2.3749 35.463   1.9218  57.397  3.7823 60.004  2.8731 -2.606518      4.749774 
1 1 1 24 28 16 o 20.945  4.8352 4.5290   1.8164  17.248  7.2356 24.642  6.4158 -7.393963      9.670397 
1 1 1 24 28 18 o 18.168  5.1350 2.5966   1.9865  18.249  7.5405 18.088  6.9723 0.1608677      10.26996 
1 1 1 24 28 20 o 43.836  3.1907 20.144   1.9608  47.741  4.5473 39.932  4.4772 7.809311       6.381446 
1 1 1 24 28 22 o 24.213  5.5511 7.1644   2.1540  24.990  8.1948 23.437  7.4902 1.552929       11.10215 
1 1 1 24 28 24 o 20.467  5.4584 4.4695   2.2348  17.838  7.4658 23.096  7.9650 -5.257872      10.91687 
1 1 1 24 28 26 o 13.350  4.5007 -3.7902  2.3599  13.503  6.5267 13.198  6.1990 0.3047953      9.001406 
1 1 1 24 28 28 o 30.761  6.2000 13.937   2.7979  30.756  8.0160 30.766  9.4606 -0.1057053E-01 12.40002 
1 1 1 24 29 1  o 48.360  2.6141 24.008   1.7878  48.492  3.6868 48.228  3.7070 0.2640648      5.228283 
1 1 1 24 29 3  o 61.199  2.4094 38.255   2.0511  61.467  3.7396 60.930  3.0390 0.5365677      4.818715 
1 1 1 24 29 5  o 79.301  2.1241 63.659   2.3003  80.564  3.4079 78.039  2.5364 2.525078       4.248223 
1 1 1 24 29 7  o 51.883  2.9252 27.957   1.9646  51.005  5.0074 52.761  3.0255 -1.755474      5.850414 
1 1 1 24 29 9  o 47.143  3.3272 23.451   1.9503  45.793  5.8562 48.493  3.1600 -2.700829      6.654421 
1 1 1 24 29 11 o 58.984  2.8813 35.971   2.3599  59.906  4.4765 58.062  3.6290 1.844246       5.762699 
1 1 1 24 29 13 o 62.352  2.4621 39.952   2.1690  62.812  3.5578 61.891  3.4045 0.9212151      4.924297 
1 1 1 24 29 15 f 30.198  4.6881 10.478   1.9427  29.815  6.9708 30.582  6.2706 -0.7670002     9.376167 
1 1 1 24 29 17 o 15.668  4.7910 0.4354   1.9218  17.567  7.3558 13.768  6.1406 3.799087       9.582000 
1 1 1 24 29 19 o 17.894  5.0209 2.6817   1.9155  19.144  7.2618 16.645  6.9356 2.499094       10.04170 
1 1 1 24 29 21 o 16.448  5.0287 0.9309   2.1246  16.468  7.4464 16.427  6.7603 0.4108047E-01  10.05731 
1 1 1 24 29 23 o 15.691  4.9665 -0.2164  2.2968  14.791  6.8253 16.590  7.2167 -1.798070      9.933050 
1 1 1 24 29 25 o 28.449  5.3132 10.663   2.1709  27.741  7.6028 29.157  7.4241 -1.415691      10.62632 
1 1 1 24 29 27 o 25.740  5.3304 9.2061   2.0897  23.938  8.0833 27.541  6.9506 -3.602182      10.66072 
1 1 1 24 30 0  o 20.260  8.5107 6.1296   3.4479  20.260  8.5107 ?       ?      0.000000       0.000000 
1 1 1 24 30 2  o 39.901  3.2461 16.693   1.8057  39.340  5.0315 40.463  4.1028 -1.123322      6.492216 
1 1 1 24 30 4  o 38.922  3.1981 15.658   1.7089  40.512  5.0434 37.332  3.9338 3.180157       6.396142 
1 1 1 24 30 6  o 61.965  2.4230 39.444   2.0761  61.863  3.8189 62.067  2.9833 -0.2037735     4.846037 
1 1 1 24 30 8  o 66.360  2.4327 44.983   2.2123  67.477  3.8796 65.243  2.9359 2.233742       4.865322 
1 1 1 24 30 10 o 50.732  2.8725 26.556   1.8973  51.100  4.8731 50.365  3.0426 0.7351418      5.745004 
1 1 1 24 30 12 o 23.411  6.0212 5.9281   2.6033  27.752  9.2361 19.070  7.7274 8.681967       12.04236 
1 1 1 24 30 14 o 16.234  4.9101 0.7926   1.9986  17.980  7.4308 14.488  6.4203 3.492255       9.820243 
1 1 1 24 30 16 o 22.867  5.5117 6.1506   2.1156  24.387  8.1948 21.347  7.3729 3.040514       11.02339 
1 1 1 24 30 18 o 32.625  4.8570 12.665   2.1634  33.368  7.1008 31.882  6.6288 1.485901       9.714031 
1 1 1 24 30 20 o 16.621  5.1062 0.9924   2.2183  18.078  7.6820 15.164  6.7291 2.913248       10.21243 
1 1 1 24 30 22 o 24.880  5.5421 8.2535   2.4196  19.527  8.0644 30.234  7.6042 -10.70716      11.08411 
1 1 1 24 30 24 f 28.535  5.5498 11.262   2.3091  27.449  8.4662 29.621  7.1782 -2.172647      11.09969 
1 1 1 24 31 1  o 68.764  2.4951 48.696   2.4246  69.313  3.5926 68.215  3.4633 1.097733       4.990120 
1 1 1 24 31 3  o 53.379  2.8820 29.617   2.1540  53.961  4.3781 52.797  3.7490 1.163437       5.763906 
1 1 1 24 31 5  o 24.601  5.7081 7.0988   2.2321  24.946  8.8978 24.257  7.1525 0.6889343      11.41619 
1 1 1 24 31 7  o 49.358  3.3910 26.016   2.2776  48.681  5.5088 50.036  3.9559 -1.355274      6.782013 
1 1 1 24 31 9  o 65.425  2.6188 44.271   2.3225  66.014  4.2558 64.837  3.0528 1.177200       5.237529 
1 1 1 24 31 11 o 74.258  2.6867 57.846   2.6505  72.329  4.5021 76.188  2.9332 -3.858170      5.373383 
1 1 1 24 31 13 o 35.630  5.8068 15.835   2.7825  34.359  9.5248 36.900  6.6447 -2.540817      11.61350 
1 1 1 24 31 15 o 22.086  5.6083 5.7721   2.2056  23.385  8.3734 20.787  7.4632 2.597502       11.21664 
1 1 1 24 31 17 o 17.700  5.2367 2.2486   2.1987  17.578  7.4737 17.821  7.3374 -0.2429047     10.47346 
1 1 1 24 31 19 o 17.711  5.3998 2.2140   2.4479  18.281  7.8794 17.140  7.3855 1.140694       10.79961 
1 1 1 24 31 21 o 23.589  5.6536 7.6441   2.2662  25.341  8.0689 21.837  7.9211 3.504019       11.30714 
1 1 1 24 31 23 o 17.776  5.4495 2.7456   2.5540  16.871  7.5006 18.681  7.9074 -1.810820      10.89895 
1 1 1 24 32 0  o 40.810  5.3305 17.623   4.3418  40.810  5.3305 ?       ?      0.000000       0.000000 
1 1 1 24 32 2  o 37.065  4.4885 15.445   2.2915  40.378  6.0090 33.753  6.6692 6.625401       8.976990 
1 1 1 24 32 4  o 42.403  3.3462 18.881   1.9702  45.314  5.0727 39.493  4.3653 5.821339       6.692352 
1 1 1 24 32 6  f 52.823  3.1607 29.445   2.2566  53.227  5.1582 52.419  3.6543 0.8082161      6.321487 
1 1 1 24 32 8  o 33.929  4.9275 13.309   2.1851  33.972  8.3238 33.885  5.2762 0.8776855E-01  9.855095 
1 1 1 24 32 10 o 24.879  5.8532 7.4503   2.3188  28.969  9.1081 20.790  7.3540 8.179285       11.70636 
1 1 1 24 32 12 o 52.184  3.3647 29.136   2.2902  52.679  5.6967 51.689  3.5823 0.9901009      6.729431 
1 1 1 24 32 14 o 23.174  5.6950 5.3605   2.8036  16.288  7.5516 30.060  8.5268 -13.77276      11.39005 
1 1 1 24 32 16 o 27.491  6.0432 10.624   2.6163  29.572  8.5720 25.411  8.5206 4.160439       12.08634 
1 1 1 24 32 18 o 32.602  5.8923 14.700   2.7396  29.637  8.4304 35.567  8.2344 -5.929401      11.78460 
1 1 1 24 32 20 f 15.584  5.0151 -1.9520  2.6756  12.536  6.1825 18.633  7.8982 -6.096776      10.03015 
1 1 1 24 33 1  o 44.186  3.9343 21.623   2.4545  43.723  5.4033 44.650  5.7201 -0.9274521     7.868584 
1 1 1 24 33 3  o 40.712  4.1506 18.790   2.2968  35.729  6.4945 45.694  5.1701 -9.965317      8.301164 
1 1 1 24 33 5  o 27.113  5.9924 9.4339   2.4966  29.761  9.0588 24.466  7.8468 5.295425       11.98474 
1 1 1 24 33 7  o 23.263  5.6788 6.2254   2.1550  28.283  9.0229 18.243  6.8981 10.04044       11.35767 
1 1 1 24 33 9  o 21.263  5.4180 5.3101   2.0585  20.949  8.2718 21.576  6.9998 -0.6270142     10.83600 
1 1 1 24 33 11 o 18.506  5.3856 3.2159   2.1367  20.078  8.3849 16.934  6.7612 3.143698       10.77129 
1 1 1 24 33 13 o 18.478  5.2291 3.0303   2.2227  16.707  7.6690 20.250  7.1105 -3.542500      10.45816 
1 1 1 24 33 15 o 22.369  6.1437 6.9332   2.7807  22.041  9.1045 22.698  8.2516 -0.6569271     12.28746 
1 1 1 24 33 17 o 24.764  6.0187 9.1945   2.5524  24.648  8.6090 24.881  8.4134 -0.2333870     12.03746 
1 1 1 24 34 0  o 30.472  8.4867 12.259   4.4695  30.472  8.4867 ?       ?      0.000000       0.000000 
1 1 1 24 34 2  o 23.882  5.7442 7.4976   2.3196  21.967  7.8230 25.796  8.4134 -3.829094      11.48844 
1 1 1 24 34 4  o 20.915  5.7134 5.1676   2.3225  23.738  8.8433 18.092  7.2367 5.646898       11.42689 
1 1 1 24 34 6  o 17.793  5.1150 2.1529   2.2447  14.731  6.8774 20.854  7.5731 -6.122547      10.22992 
1 1 1 24 34 8  o 19.427  5.6170 4.1063   2.4545  19.006  7.9692 19.848  7.9180 -0.8427105     11.23400 
1 1 1 24 34 10 o 24.066  5.8886 7.9207   2.3083  24.644  9.4330 23.489  7.0513 1.155069       11.77714 
1 1 1 24 34 12 o 32.462  5.4323 14.491   2.4247  28.233  9.4305 36.691  5.3947 -8.458479      10.86451 
1 1 1 24 34 14 o 20.180  5.4271 4.1811   2.5798  16.430  7.8770 23.930  7.4678 -7.500532      10.85423 
1 1 1 24 35 1  o 58.302  3.3439 37.987   2.7396  56.895  5.0501 59.709  4.3844 -2.813812      6.687785 
1 1 1 24 35 3  o 26.433  5.8682 10.087   2.4836  24.443  8.6021 28.424  7.9841 -3.980305      11.73638 
1 1 1 24 35 5  o 14.379  4.7391 -1.7119  2.3607  15.719  7.1340 13.039  6.2403 2.679739       9.478129 
1 1 1 24 35 7  o 23.724  5.9327 8.2865   2.5618  21.814  8.8335 25.634  7.9220 -3.820087      11.86543 
1 1 1 24 35 9  f 36.388  6.1613 19.820   2.9904  31.377  11.001 41.399  5.5523 -10.02226      12.32262 
1 1 1 25 1  0  o 38.328  4.0800 15.196   3.0648  38.328  4.0800 ?       ?      0.000000       0.000000 
1 1 1 25 1  2  o 184.533 1.8729 340.797  4.8793  184.304 2.7369 184.762 2.5573 -0.4584045     3.745706 
1 1 1 25 1  4  o 325.835 2.6735 1061.72  12.201  328.626 4.0608 323.043 3.4787 5.582764       5.347068 
1 1 1 25 1  6  o 179.941 1.9070 323.928  4.8493  181.127 2.7496 178.756 2.6432 2.370483       3.814079 
1 1 1 25 1  8  o 253.322 2.1659 642.448  7.7577  251.014 3.1033 255.629 3.0223 -4.614624      4.331845 
1 1 1 25 1  10 o 273.663 2.2279 749.924  8.6198  269.708 3.1960 277.617 3.1049 -7.909515      4.455877 
1 1 1 25 1  12 o 167.541 1.7806 280.733  4.1987  168.562 2.6516 166.521 2.3773 2.041351       3.561241 
1 1 1 25 1  14 o 124.418 1.9602 155.194  3.2636  123.906 3.2465 124.930 2.1977 -1.023125      3.920382 
1 1 1 25 1  16 o 109.405 1.8641 121.026  2.7165  106.582 3.1152 112.229 2.0482 -5.646538      3.728177 
1 1 1 25 1  18 o 110.628 1.5116 121.861  2.3349  113.676 2.3029 107.580 1.9586 6.095963       3.023162 
1 1 1 25 1  20 o 53.219  2.2550 28.448   1.6914  54.960  3.0206 51.477  3.3490 3.483669       4.509945 
1 1 1 25 1  22 o 123.523 1.7557 152.765  3.0595  123.246 2.3831 123.800 2.5788 -0.5542068     3.511325 
1 1 1 25 1  24 o 19.994  4.6889 3.7133   1.5975  21.886  6.1594 18.103  7.0713 3.783428       9.377738 
1 1 1 25 1  26 o 136.664 1.7370 187.065  3.3372  135.891 2.3023 137.437 2.6016 -1.546463      3.474092 
1 1 1 25 1  28 o 74.059  2.2570 54.794   2.3349  71.770  2.9359 76.349  3.4288 -4.578758      4.513989 
1 1 1 25 1  30 o 100.553 1.7304 101.504  2.4578  98.803  2.5203 102.304 2.3717 -3.500671      3.460776 
1 1 1 25 1  32 o 87.394  1.9623 76.614   2.4196  83.877  2.7405 90.911  2.8094 -7.034119      3.924620 
1 1 1 25 1  34 o 47.185  2.5474 22.639   1.6914  49.226  3.3724 45.143  3.8189 4.083378       5.094796 
1 1 1 25 1  36 o 19.080  4.9470 3.2390   1.7414  20.767  7.3532 17.394  6.6199 3.373383       9.894026 
1 1 1 25 1  38 o 21.431  4.7533 5.0196   1.6503  19.246  7.0747 23.617  6.3501 -4.370861      9.506559 
1 1 1 25 1  40 o 18.520  4.8184 3.0238   1.7855  21.666  6.9969 15.374  6.6265 6.292361       9.636786 
1 1 1 25 1  42 o 17.059  5.0218 1.8344   1.9986  15.561  6.6646 18.557  7.5138 -2.996478      10.04365 
1 1 1 25 1  44 o 18.922  5.8296 2.8066   2.5798  15.459  6.7580 22.385  9.5008 -6.926678      11.65919 
1 1 1 25 1  46 o 16.848  4.9106 2.7775   1.9134  15.873  6.8466 17.823  7.0413 -1.950101      9.821188 
1 1 1 25 2  1  o 247.354 2.3819 612.119  8.3226  244.279 3.2934 250.429 3.4420 -6.149658      4.763834 
1 1 1 25 2  3  o 167.318 1.8753 280.068  4.4355  165.833 2.6182 168.804 2.6856 -2.971420      3.750650 
1 1 1 25 2  5  o 96.644  1.6190 93.061   2.1654  98.289  2.5335 94.999  2.0164 3.290161       3.237966 
1 1 1 25 2  7  o 202.909 2.0967 412.185  5.8797  202.698 3.3075 203.120 2.5777 -0.4219208     4.193343 
1 1 1 25 2  9  o 257.173 2.4483 663.634  8.7593  254.521 3.8131 259.825 3.0718 -5.303925      4.896529 
1 1 1 25 2  11 o 156.809 1.9001 244.117  3.9577  159.874 3.1551 153.743 2.1181 6.130341       3.800115 
1 1 1 25 2  13 o 118.039 1.5900 139.148  2.6309  119.547 2.4035 116.531 2.0821 3.015686       3.179926 
1 1 1 25 2  15 o 49.975  2.2542 25.212   1.5324  48.687  3.6720 51.264  2.6156 -2.576187      4.508353 
1 1 1 25 2  17 o 116.303 1.6300 134.769  2.5633  117.846 2.6549 114.759 1.8917 3.087151       3.259904 
1 1 1 25 2  19 o 97.385  1.5804 95.024   2.1634  98.080  2.0832 96.691  2.3773 1.389076       3.160892 
1 1 1 25 2  21 o 74.995  1.6934 56.416   1.7787  75.938  2.1862 74.052  2.5867 1.885353       3.386783 
1 1 1 25 2  23 o 155.228 1.7479 241.425  3.8214  155.693 2.3376 154.762 2.5992 0.9304199      3.495741 
1 1 1 25 2  25 f 102.085 2.0185 104.732  2.8037  102.787 2.3605 101.383 3.2749 1.404167       4.036990 
1 1 1 25 2  27 o 130.371 1.7864 170.626  3.2855  132.292 2.4132 128.450 2.6345 3.841476       3.572753 
1 1 1 25 2  29 o 33.756  4.0590 12.442   1.7855  26.003  6.9752 41.510  4.1531 -15.50740      8.118008 
1 1 1 25 2  31 o 81.763  1.8233 67.178   2.1051  81.596  2.6606 81.931  2.4938 -0.3358917     3.646614 
1 1 1 25 2  33 o 61.328  2.1070 38.008   1.8147  62.603  2.7538 60.053  3.1897 2.549999       4.213982 
1 1 1 25 2  35 o 36.770  3.6211 13.922   1.8787  35.181  5.0818 38.360  5.1600 -3.178623      7.242238 
1 1 1 25 2  37 o 22.661  5.5150 5.4930   2.1240  22.964  7.2342 22.358  8.3264 0.6056137      11.03008 
1 1 1 25 2  39 o 46.968  3.8991 23.752   2.5285  48.651  4.7247 45.285  6.2039 3.366577       7.798115 
1 1 1 25 2  41 o 24.272  5.2748 7.0094   1.9865  23.468  7.9703 25.076  6.9113 -1.608343      10.54950 
1 1 1 25 2  43 o 22.134  5.4742 5.7484   2.1004  18.773  7.1343 25.494  8.3048 -6.721004      10.94843 
1 1 1 25 2  45 o 16.450  4.8470 2.3138   1.8571  16.160  6.5594 16.741  7.1377 -0.5812798     9.693933 
1 1 1 25 3  0  o 44.795  4.5012 20.688   3.9587  44.795  4.5012 ?       ?      0.000000       0.000000 
1 1 1 25 3  2  o 85.938  1.7350 73.625   2.0897  87.939  2.6139 83.937  2.2821 4.002602       3.469904 
1 1 1 25 3  4  o 135.140 1.6840 182.418  3.1299  135.980 2.6765 134.300 2.0444 1.679581       3.367929 
1 1 1 25 3  6  o 260.119 2.1782 676.751  8.0029  263.534 3.1497 256.703 3.0097 6.830475       4.356462 
1 1 1 25 3  8  o 115.099 1.5750 132.387  2.5285  115.814 2.4258 114.384 2.0096 1.430153       3.150059 
1 1 1 25 3  10 f 356.424 2.5779 1272.43  12.993  356.026 3.6765 356.822 3.6146 -0.7966003     5.155802 
1 1 1 25 3  12 o 112.546 1.5269 126.216  2.3994  115.035 2.3312 110.057 1.9725 4.977936       3.053762 
1 1 1 25 3  14 o 115.205 1.6119 132.227  2.5789  117.495 2.4998 112.915 2.0357 4.579590       3.223821 
1 1 1 25 3  16 o 59.314  2.0025 35.408   1.6380  60.508  2.4271 58.120  3.1859 2.387375       4.005087 
1 1 1 25 3  18 o 150.069 1.7320 225.666  3.6689  151.946 2.3532 148.193 2.5421 3.753754       3.464074 
1 1 1 25 3  20 o 264.248 2.2599 698.279  8.2641  262.022 2.8024 266.475 3.5463 -4.452698      4.519859 
1 1 1 25 3  22 o 103.939 1.7480 108.519  2.5397  105.824 2.2324 102.054 2.6903 3.769867       3.495934 
1 1 1 25 3  24 o 142.617 1.6154 203.694  3.2514  142.156 2.2009 143.077 2.3652 -0.9210052     3.230796 
1 1 1 25 3  26 o 122.253 1.7858 149.326  2.9996  120.809 2.1670 123.698 2.8390 -2.888718      3.571501 
1 1 1 25 3  28 f 85.075  2.1934 72.172   2.4437  83.773  2.3628 86.377  3.6960 -2.604042      4.386711 
1 1 1 25 3  30 o 29.990  5.1324 9.6602   2.1033  31.367  5.9161 28.614  8.3884 2.752842       10.26479 
1 1 1 25 3  32 o 41.233  3.7166 16.834   1.9670  38.917  3.9376 43.549  6.3046 -4.631676      7.433177 
1 1 1 25 3  34 o 21.800  5.5339 4.2620   2.1550  22.507  6.9584 21.093  8.6067 1.414301       11.06776 
1 1 1 25 3  36 o 22.912  5.1376 5.4592   1.8964  26.618  7.5607 19.206  6.9582 7.411596       10.27521 
1 1 1 25 3  38 o 21.089  5.3608 4.5853   2.0253  21.539  7.9105 20.638  7.2373 0.9013176      10.72169 
1 1 1 25 3  40 o 34.680  4.6339 13.808   2.1987  37.815  5.5720 31.544  7.4057 6.271221       9.267746 
1 1 1 25 3  42 o 16.307  4.9893 0.8234   2.1271  16.564  6.9837 16.049  7.1276 0.5143871      9.978688 
1 1 1 25 3  44 o 16.719  5.0395 1.8704   2.0507  16.497  6.6155 16.940  7.6041 -0.4425182     10.07907 
1 1 1 25 4  1  o 280.664 2.2203 788.511  8.8109  284.848 3.1158 276.480 3.1639 8.367859       4.440522 
1 1 1 25 4  3  o 132.596 1.5348 176.013  2.8676  131.702 2.2786 133.489 2.0568 -1.787292      3.069583 
1 1 1 25 4  5  o 111.474 1.7039 124.490  2.6802  113.538 2.3057 109.410 2.5094 4.127174       3.407870 
1 1 1 25 4  7  o 200.278 2.0651 401.208  5.8212  199.109 2.7579 201.447 3.0745 -2.337341      4.130176 
1 1 1 25 4  9  o 167.388 1.8613 280.431  4.4057  168.647 2.6124 166.129 2.6520 2.517593       3.722553 
1 1 1 25 4  11 o 194.594 1.9861 378.715  5.4366  193.147 2.6446 196.042 2.9639 -2.894653      3.972217 
1 1 1 25 4  13 o 391.507 3.2915 1541.07  16.791  393.815 3.4696 389.198 5.5943 4.616821       6.582925 
1 1 1 25 4  15 o 204.801 2.5439 419.402  6.5866  204.085 2.5342 205.517 4.4117 -1.431503      5.087744 
1 1 1 25 4  17 o 85.506  2.3106 72.203   2.2802  83.850  1.9799 87.163  4.1755 -3.312698      4.621104 
1 1 1 25 4  19 o 157.765 2.1880 251.151  4.4756  160.162 2.2724 155.367 3.7398 4.794998       4.376022 
1 1 1 25 4  21 o 211.875 2.2639 450.267  6.2678  212.367 2.4053 211.384 3.8361 0.9824677      4.527853 
1 1 1 25 4  23 o 223.944 2.2246 500.604  6.6299  221.477 2.4793 226.410 3.6944 -4.932587      4.449197 
1 1 1 25 4  25 o 99.177  1.9357 98.502   2.7043  97.938  2.6078 100.416 2.8614 -2.478561      3.871437 
1 1 1 25 4  27 o 121.005 1.7365 146.222  2.9412  118.056 2.2716 123.953 2.6271 -5.897400      3.472990 
1 1 1 25 4  29 o 55.390  2.9032 30.276   2.1655  58.525  4.6913 52.254  3.4214 6.270840       5.806345 
1 1 1 25 4  31 o 36.705  3.0760 13.664   1.5963  36.183  4.4116 37.227  4.2879 -1.043724      6.152086 
1 1 1 25 4  33 o 18.408  4.6187 2.9032   1.5637  15.714  6.3333 21.101  6.7246 -5.387546      9.237483 
1 1 1 25 4  35 o 24.799  4.8931 6.6769   1.7513  24.463  6.2425 25.134  7.5367 -0.6713104     9.786260 
1 1 1 25 4  37 o 27.244  5.1279 8.4870   2.0108  27.743  7.2752 26.745  7.2286 0.9974556      10.25578 
1 1 1 25 4  39 o 46.350  3.1559 22.595   2.0253  44.778  4.9908 47.921  3.8640 -3.143284      6.311747 
1 1 1 25 4  41 o 42.115  3.5316 18.861   2.0761  44.611  5.2957 39.619  4.6737 4.991848       7.063132 
1 1 1 25 4  43 o 20.795  5.2564 4.9499   2.0108  23.469  7.6210 18.120  7.2414 5.349424       10.51273 
1 1 1 25 4  45 o 15.205  4.7961 0.4179   2.0993  13.635  6.2742 16.774  7.2556 -3.139499      9.592183 
1 1 1 25 5  0  o 50.282  2.0390 25.412   2.0432  50.282  2.0390 ?       ?      0.000000       0.000000 
1 1 1 25 5  2  o 184.017 1.8279 338.842  4.7566  183.514 2.5747 184.519 2.5953 -1.004547      3.655750 
1 1 1 25 5  4  o 188.630 1.7609 356.272  4.6911  186.309 2.5703 190.951 2.4075 -4.642288      3.521780 
1 1 1 25 5  6  o 161.602 1.6914 261.041  3.8500  163.197 2.5040 160.008 2.2746 3.188889       3.382833 
1 1 1 25 5  8  o 278.811 2.2616 778.880  8.9015  275.379 3.3157 282.243 3.0767 -6.864105      4.523213 
1 1 1 25 5  10 o 138.537 1.6258 189.719  2.9410  134.918 1.7510 142.156 2.7399 -7.237518      3.251610 
1 1 1 25 5  12 o 85.173  1.7012 72.618   2.0412  90.793  2.3207 79.553  2.4881 11.24068       3.402428 
1 1 1 25 5  14 o 70.873  1.6146 50.751   1.5860  74.166  1.9801 67.581  2.5510 6.585480       3.229283 
1 1 1 25 5  16 o 126.415 1.6500 160.309  2.9246  128.242 2.1409 124.588 2.5112 3.653923       3.299968 
1 1 1 25 5  18 o 119.386 1.5834 143.100  2.6186  120.924 1.9537 117.848 2.4923 3.075829       3.166768 
1 1 1 25 5  20 o 105.024 1.7231 110.977  2.4732  106.804 2.0326 103.243 2.7830 3.560043       3.446254 
1 1 1 25 5  22 o 60.632  2.3871 36.634   2.0113  58.865  3.0371 62.400  3.6837 -3.535252      4.774276 
1 1 1 25 5  24 o 80.645  1.8358 65.147   2.0354  80.473  2.2216 80.817  2.9232 -0.3435822     3.671649 
1 1 1 25 5  26 o 49.737  2.6900 24.960   1.8787  50.908  3.5119 48.567  4.0756 2.341347       5.379902 
1 1 1 25 5  28 o 112.298 1.7858 127.109  2.7862  115.057 2.2198 109.540 2.7979 5.517181       3.571519 
1 1 1 25 5  30 o 82.126  1.7866 67.636   2.0707  83.548  2.5984 80.703  2.4527 2.845375       3.573117 
1 1 1 25 5  32 o 46.415  2.5387 21.788   1.6503  46.171  3.8722 46.659  3.2843 -0.4881630     5.077426 
1 1 1 25 5  34 o 45.290  3.0907 20.768   1.9464  43.374  3.9747 47.205  4.7341 -3.831409      6.181434 
1 1 1 25 5  36 f 19.253  5.0485 2.5477   1.8841  13.800  6.0506 24.706  8.0833 -10.90584      10.09702 
1 1 1 25 5  38 o 21.243  5.4285 4.5325   2.1469  22.780  7.2409 19.706  8.0898 3.073977       10.85705 
1 1 1 25 5  40 o 22.641  5.6532 5.6117   2.2543  18.697  7.3095 26.584  8.6258 -7.886889      11.30639 
1 1 1 25 5  42 o 18.760  5.2891 3.3164   2.1051  18.500  7.3688 19.020  7.5894 -0.5199547     10.57813 
1 1 1 25 5  44 o 15.906  4.9132 0.8173   1.9921  19.300  7.9663 12.513  5.7530 6.786381       9.826453 
1 1 1 25 6  1  o 148.228 1.6296 219.837  3.4157  148.249 2.3258 148.208 2.2833 0.4154968E-01  3.259265 
1 1 1 25 6  3  o 219.285 1.9368 481.329  5.9958  218.653 2.8326 219.916 2.6421 -1.263107      3.873513 
1 1 1 25 6  5  o 120.413 1.4456 145.153  2.4545  119.510 2.1371 121.317 1.9474 -1.807182      2.891244 
1 1 1 25 6  7  o 136.519 1.5336 185.817  2.8691  134.870 1.8463 138.168 2.4492 -3.297882      3.067207 
1 1 1 25 6  9  o 186.635 1.8509 349.922  4.7275  189.035 2.1955 184.235 2.9805 4.799957       3.701856 
1 1 1 25 6  11 o 170.230 1.7541 290.928  4.1274  172.440 2.1476 168.020 2.7741 4.420456       3.508269 
1 1 1 25 6  13 o 132.245 1.5500 175.023  2.8222  132.282 1.8825 132.209 2.4630 0.7310486E-01  3.100048 
1 1 1 25 6  15 o 136.981 1.6796 187.469  3.1533  136.070 2.0178 137.892 2.6857 -1.821884      3.359188 
1 1 1 25 6  17 o 190.950 1.8817 364.926  4.9634  190.500 2.3127 191.400 2.9690 -0.8992462     3.763458 
1 1 1 25 6  19 o 203.501 1.9185 415.700  5.3605  205.235 2.3022 201.766 3.0696 3.468826       3.837036 
1 1 1 25 6  21 o 104.120 1.7084 109.075  2.4640  106.312 2.1021 101.928 2.6936 4.383713       3.416794 
1 1 1 25 6  23 o 37.850  3.0352 14.553   1.5733  39.226  3.5810 36.474  4.9016 2.752193       6.070392 
1 1 1 25 6  25 o 19.190  3.9041 3.5214   1.2738  24.173  5.1694 14.208  5.8521 9.964359       7.808290 
1 1 1 25 6  27 o 17.265  4.8933 1.4941   1.6090  16.108  5.6965 18.421  7.9579 -2.313875      9.786604 
1 1 1 25 6  29 o 23.010  4.6541 5.4145   1.5554  20.496  6.0973 25.523  7.0333 -5.027782      9.308252 
1 1 1 25 6  31 o 20.506  5.2184 3.7410   1.9050  20.211  6.8695 20.801  7.8573 -0.5893040     10.43679 
1 1 1 25 6  33 o 42.303  3.3098 18.278   1.9773  40.598  4.7183 44.008  4.6428 -3.410500      6.619504 
1 1 1 25 6  35 o 55.823  2.7173 31.811   2.1385  58.838  3.6897 52.808  3.9901 6.029640       5.434549 
1 1 1 25 6  37 o 18.745  5.0585 3.0497   1.8701  18.344  7.3462 19.146  6.9560 -0.8021145     10.11697 
1 1 1 25 6  39 o 71.180  2.1957 51.996   2.1987  69.715  3.2972 72.645  2.9005 -2.929909      4.391368 
1 1 1 25 6  41 o 33.757  4.6402 13.125   2.1156  31.144  6.3704 36.370  6.7486 -5.226171      9.280329 
1 1 1 25 6  43 o 13.936  4.5643 -1.7840  2.1385  14.007  6.4566 13.866  6.4532 0.1409855      9.128594 
1 1 1 25 6  45 o 13.457  4.3704 -1.4356  1.9711  14.797  6.5020 12.118  5.8416 2.679379       8.740731 
1 1 1 25 7  0  o 217.320 2.4687 472.621  10.727  217.320 2.4687 ?       ?      0.000000       0.000000 
1 1 1 25 7  2  o 253.690 1.9488 643.789  6.9845  256.138 2.8169 251.243 2.6939 4.894318       3.897660 
1 1 1 25 7  4  o 239.813 2.2053 573.001  7.2894  235.537 2.7108 244.089 3.4791 -8.551636      4.410544 
1 1 1 25 7  6  o 123.966 1.3943 153.567  2.3843  123.407 1.7074 124.525 2.2048 -1.117889      2.788646 
1 1 1 25 7  8  o 103.412 1.6082 106.871  2.1851  103.118 1.7338 103.706 2.7090 -0.5879288     3.216319 
1 1 1 25 7  10 o 149.867 1.5529 224.393  3.1762  149.115 1.8412 150.618 2.5011 -1.503571      3.105782 
1 1 1 25 7  12 o 123.844 1.6321 153.659  2.7165  124.223 1.8504 123.466 2.6892 0.7560577      3.264296 
1 1 1 25 7  14 o 26.646  3.7044 7.3762   1.2922  27.871  3.8946 25.421  6.3026 2.450274       7.408801 
1 1 1 25 7  16 o 140.472 1.6374 197.098  3.1533  139.404 1.9695 141.540 2.6164 -2.136703      3.274868 
1 1 1 25 7  18 o 217.533 1.8729 475.107  5.6502  220.047 2.3213 215.020 2.9398 5.027283       3.745824 
1 1 1 25 7  20 o 129.626 1.6598 168.022  3.0057  128.730 2.1328 130.522 2.5438 -1.792130      3.319622 
1 1 1 25 7  22 o 90.281  1.6975 81.982   2.1004  91.610  2.0212 88.952  2.7277 2.657913       3.394943 
1 1 1 25 7  24 o 134.786 1.7302 182.680  3.1950  136.389 2.0598 133.182 2.7806 3.207153       3.460486 
1 1 1 25 7  26 o 47.844  2.5475 22.745   1.7027  53.084  3.6085 42.605  3.5968 10.47863       5.094903 
1 1 1 25 7  28 o 79.589  1.9534 64.081   2.1540  82.622  2.3957 76.555  3.0860 6.066124       3.906724 
1 1 1 25 7  30 o 44.716  3.0077 20.402   1.8787  46.887  3.8130 42.544  4.6525 4.343300       6.015389 
1 1 1 25 7  32 o 31.498  4.1207 10.373   1.7673  31.387  5.0857 31.609  6.4851 -0.2216244     8.241453 
1 1 1 25 7  34 o 18.333  5.0616 1.8912   2.0108  21.142  7.4758 15.525  6.8259 5.617353       10.12326 
1 1 1 25 7  36 o 18.211  5.3861 0.9819   2.3003  14.261  6.4603 22.160  8.6200 -7.898649      10.77215 
1 1 1 25 7  38 o 66.022  2.7132 44.382   2.4312  63.160  3.2350 68.884  4.3566 -5.723835      5.426327 
1 1 1 25 7  40 o 33.877  4.9409 13.476   2.2543  36.819  5.3760 30.936  8.2915 5.882347       9.881809 
1 1 1 25 7  42 o 21.927  5.3244 5.5350   2.1385  17.971  7.4292 25.882  7.6292 -7.911568      10.64882 
1 1 1 25 7  44 f 16.425  4.9248 1.9865   1.9865  16.243  7.1401 16.607  6.7848 -0.3649311     9.849593 
1 1 1 25 8  1  o 278.099 3.6366 775.392  14.289  275.142 5.0358 281.057 5.2479 -5.914917      7.273174 
1 1 1 25 8  3  o 67.489  2.9848 45.240   2.2925  66.734  2.4877 68.243  5.4266 -1.509598      5.969661 
1 1 1 25 8  5  o 122.567 1.9027 150.228  3.2632  123.208 2.9021 121.925 2.4613 1.282822       3.805302 
1 1 1 25 8  7  o 148.495 1.8698 220.633  3.9245  149.846 2.6845 147.144 2.6036 2.702179       3.739653 
1 1 1 25 8  9  o 97.324  1.3865 95.325   1.8571  99.528  1.6680 95.120  2.2152 4.407463       2.772920 
1 1 1 25 8  11 o 120.828 1.4861 146.148  2.4894  121.048 1.8462 120.607 2.3294 0.4406433      2.972283 
1 1 1 25 8  13 o 74.959  1.4780 57.162   1.5218  80.203  1.7514 69.716  2.3812 10.48676       2.955995 
1 1 1 25 8  15 o 193.840 1.8564 375.960  4.9464  193.301 2.2462 194.379 2.9564 -1.078461      3.712846 
1 1 1 25 8  17 o 130.105 1.6061 169.501  2.9024  130.267 2.0096 129.942 2.5060 0.3252106      3.212267 
1 1 1 25 8  19 o 177.041 1.7224 315.045  4.2437  180.505 2.1578 173.577 2.6853 6.928207       3.444823 
1 1 1 25 8  21 o 130.904 1.5720 171.782  2.9020  132.666 2.1177 129.142 2.3238 3.523956       3.143944 
1 1 1 25 8  23 o 65.195  2.1203 43.851   1.8701  72.018  2.3938 58.371  3.5004 13.64697       4.240626 
1 1 1 25 8  25 o 73.837  2.0430 54.768   2.0587  74.093  2.4129 73.580  3.2975 0.5127640      4.086039 
1 1 1 25 8  27 o 32.308  3.7574 10.982   1.6226  28.675  6.1882 35.941  4.2637 -7.266367      7.514824 
1 1 1 25 8  29 o 18.184  5.0051 2.2304   1.8429  17.694  6.8413 18.674  7.3077 -0.9791431     10.01026 
1 1 1 25 8  31 o 41.508  3.2996 17.367   1.8389  40.502  3.7835 42.513  5.4068 -2.010952      6.599173 
1 1 1 25 8  33 o 43.458  3.1140 19.504   1.8701  45.668  3.7750 41.248  4.9535 4.420269       6.227966 
1 1 1 25 8  35 o 85.442  1.9814 73.903   2.3906  84.030  2.7355 86.853  2.8671 -2.822861      3.962706 
1 1 1 25 8  37 o 13.152  4.2746 -2.6619  1.8429  15.495  6.7660 10.808  5.2258 4.686201       8.549150 
1 1 1 25 8  39 o 22.525  5.3434 5.7780   2.0746  19.446  7.4637 25.604  7.6487 -6.158112      10.68688 
1 1 1 25 8  41 o 24.542  5.3584 7.4538   2.0707  22.879  7.8542 26.205  7.2911 -3.326084      10.71671 
1 1 1 25 8  43 o 22.752  5.2598 6.7556   1.9427  22.453  7.2515 23.050  7.6210 -0.5975952     10.51968 
1 1 1 25 9  0  o 470.009 7.0269 2217.53  66.021  470.009 7.0269 ?       ?      0.000000       0.000000 
1 1 1 25 9  2  o 287.035 3.5015 826.752  14.203  289.351 4.8326 284.718 5.0682 4.633148       7.002946 
1 1 1 25 9  4  o 114.886 2.0944 128.920  2.8044  110.985 1.8410 118.786 3.7627 -7.801620      4.188892 
1 1 1 25 9  6  o 168.870 2.4172 286.536  5.6360  171.094 2.9482 166.647 3.8315 4.447159       4.834479 
1 1 1 25 9  8  o 173.561 1.7773 301.331  4.2958  173.098 2.2501 174.023 2.7518 -0.9252777     3.554625 
1 1 1 25 9  10 o 130.316 1.4262 169.331  2.5789  128.317 1.7914 132.315 2.2198 -3.997940      2.852444 
1 1 1 25 9  12 o 83.274  1.4752 69.512   1.7027  83.857  1.8274 82.692  2.3165 1.164955       2.950494 
1 1 1 25 9  14 o 104.422 1.5406 108.250  2.1180  102.488 1.6821 106.356 2.5815 -3.868828      3.081159 
1 1 1 25 9  16 o 90.056  1.5153 80.643   1.8623  88.156  1.8107 91.956  2.4303 -3.799484      3.030658 
1 1 1 25 9  18 f 96.355  1.7246 93.289   2.2117  97.239  1.9042 95.472  2.8758 1.767509       3.449101 
1 1 1 25 9  20 f 80.001  1.6265 64.325   1.7923  81.132  1.9675 78.870  2.5906 2.262474       3.253049 
1 1 1 25 9  22 o 97.525  1.6457 96.319   2.2183  102.320 1.9969 92.730  2.6165 9.590034       3.291483 
1 1 1 25 9  24 o 20.627  5.0995 3.7958   1.7108  19.281  6.1651 21.974  8.1246 -2.692396      10.19891 
1 1 1 25 9  26 o 53.220  2.4064 28.550   1.7513  53.739  2.8516 52.700  3.8771 1.039330       4.812794 
1 1 1 25 9  28 o 27.382  4.5275 7.9316   1.7027  26.668  5.9031 28.097  6.8663 -1.428848      9.055001 
1 1 1 25 9  30 o 39.335  3.1597 15.731   1.6648  39.604  3.5469 39.067  5.2301 0.5375175      6.319352 
1 1 1 25 9  32 o 61.636  2.2330 38.218   1.9344  63.759  3.3048 59.514  3.0040 4.244534       4.466037 
1 1 1 25 9  34 o 44.278  3.4196 20.196   2.1347  41.601  4.9114 46.954  4.7595 -5.353085      6.839193 
1 1 1 25 9  36 o 40.682  3.8299 17.499   2.1913  39.839  5.1287 41.524  5.6894 -1.685322      7.659789 
1 1 1 25 9  38 o 21.278  5.3993 4.4426   2.2303  24.304  7.4444 18.252  7.8224 6.052279       10.79861 
1 1 1 25 9  40 o 17.919  4.8805 2.6952   1.8147  14.928  6.4134 20.910  7.3583 -5.981754      9.760921 
1 1 1 25 9  42 o 13.400  4.4690 -3.0796  2.2024  12.692  6.0720 14.108  6.5588 -1.416155      8.937992 
1 1 1 25 9  44 o 16.078  4.8766 1.5304   2.0412  13.973  6.3689 18.183  7.3867 -4.209972      9.753273 
1 1 1 25 10 1  o 200.752 2.8810 403.786  8.1549  201.431 4.2476 200.073 3.8935 1.357529       5.762033 
1 1 1 25 10 3  o 78.202  3.8759 61.489   4.2742  79.600  5.2139 76.805  5.7362 2.794968       7.751709 
1 1 1 25 10 5  o 136.955 2.3248 187.606  3.6095  136.790 1.9138 137.120 4.2374 -0.3303528     4.649570 
1 1 1 25 10 7  o 129.260 2.0177 166.604  3.3191  128.310 2.0403 130.209 3.4816 -1.899155      4.035382 
1 1 1 25 10 9  o 66.501  2.5677 45.955   1.6117  69.002  1.5731 63.999  4.8886 5.002823       5.135456 
1 1 1 25 10 11 o 62.727  3.3580 38.988   1.4710  62.192  1.4373 63.263  6.5603 -1.071548      6.715950 
1 1 1 25 10 13 o 31.032  5.0312 12.088   1.5219  38.297  2.5009 23.767  9.7467 14.52972       10.06241 
1 1 1 25 10 15 o 108.561 2.2495 117.219  2.8044  107.521 1.9003 109.600 4.0780 -2.079155      4.499053 
1 1 1 25 10 17 o 49.223  2.6082 25.805   1.5717  54.633  2.3374 43.813  4.6635 10.82009       5.216442 
1 1 1 25 10 19 o 41.615  3.3685 18.206   1.7724  45.420  3.2333 37.811  5.9104 7.609318       6.736984 
1 1 1 25 10 21 o 154.618 1.6207 240.635  3.4828  158.215 2.0178 151.020 2.5368 7.194901       3.241425 
1 1 1 25 10 23 f 220.302 1.9763 486.706  5.9759  220.152 2.3782 220.453 3.1570 -0.3004913     3.952553 
1 1 1 25 10 25 o 170.122 1.9579 290.491  4.4687  170.288 2.2122 169.956 3.2309 0.3327942      3.915720 
1 1 1 25 10 27 o 146.411 1.7870 215.949  3.5487  148.296 2.0667 144.526 2.9158 3.769867       3.573963 
1 1 1 25 10 29 o 99.125  1.8733 98.596   2.5930  98.240  2.4048 100.009 2.8730 -1.768181      3.746628 
1 1 1 25 10 31 o 37.300  4.0592 14.333   2.1271  37.809  6.0796 36.790  5.3801 1.018742       8.118311 
1 1 1 25 10 33 o 22.357  4.8477 5.2984   1.6866  20.293  6.7361 24.422  6.9732 -4.129488      9.695377 
1 1 1 25 10 35 o 66.747  2.3676 45.359   2.2183  68.628  3.5355 64.866  3.1499 3.762093       4.735152 
1 1 1 25 10 37 o 23.781  5.0595 6.4731   1.8495  24.962  6.9241 22.600  7.3790 2.362064       10.11897 
1 1 1 25 10 39 o 23.806  5.3867 6.7014   2.0813  25.507  6.8591 22.105  8.3076 3.402315       10.77330 
1 1 1 25 10 41 o 13.348  4.4469 -3.3369  2.1913  13.697  6.3305 13.000  6.2469 0.6965475      8.893748 
1 1 1 25 10 43 o 17.059  5.1842 1.9936   2.2915  18.080  7.4465 16.038  7.2147 2.042261       10.36837 
1 1 1 25 11 0  o 34.703  13.666 16.729   9.0668  34.703  13.666 ?       ?      0.000000       0.000000 
1 1 1 25 11 2  o 122.922 2.8665 151.483  4.9771  122.447 4.1716 123.397 3.9325 -0.9496689     5.732994 
1 1 1 25 11 4  o 203.264 2.9214 414.232  8.3952  202.520 4.1932 204.008 4.0687 -1.487946      5.842756 
1 1 1 25 11 6  o 220.553 2.6018 482.320  7.3567  216.098 2.6888 225.008 4.4552 -8.910141      5.203679 
1 1 1 25 11 8  o 141.908 2.3168 201.767  4.1047  141.980 2.2486 141.836 4.0515 0.1442108      4.633673 
1 1 1 25 11 10 f 157.268 2.1616 246.644  4.0293  156.282 1.9202 158.255 3.8733 -1.972412      4.323140 
1 1 1 25 11 12 o 105.057 2.0240 112.042  2.3779  106.938 1.6121 103.175 3.7131 3.763344       4.048002 
1 1 1 25 11 14 o 69.540  2.1078 46.421   1.6313  65.871  1.7448 73.209  3.8375 -7.337440      4.215563 
1 1 1 25 11 16 o 169.210 2.1498 287.732  4.2847  170.046 1.8774 168.374 3.8680 1.671448       4.299572 
1 1 1 25 11 18 f 226.728 2.4283 519.130  6.6382  229.310 2.1997 224.146 4.3299 5.164215       4.856616 
1 1 1 25 11 20 o 203.566 2.3152 412.848  5.5311  201.626 2.0267 205.506 4.1634 -3.879333      4.630471 
1 1 1 25 11 22 o 190.703 2.1695 368.379  5.0589  193.773 2.0100 187.632 3.8453 6.140854       4.338991 
1 1 1 25 11 24 o 97.573  2.0431 95.222   2.3837  97.133  1.8406 98.013  3.6481 -0.8806229     4.086118 
1 1 1 25 11 26 o 54.990  3.4066 30.818   2.2135  55.813  2.9744 54.166  6.1297 1.647270       6.813275 
1 1 1 25 11 28 o 99.292  2.0619 99.933   2.5834  100.795 2.0271 97.790  3.5912 3.005219       4.123775 
1 1 1 25 11 30 o 59.656  2.5601 35.135   2.0013  56.519  2.8243 62.792  4.2708 -6.273869      5.120171 
1 1 1 25 11 32 o 38.065  4.2038 14.880   2.2123  35.639  5.3748 40.492  6.4652 -4.852627      8.407572 
1 1 1 25 11 34 o 41.823  4.3812 19.821   2.0684  46.062  3.4655 37.584  8.0480 8.478264       8.762442 
1 1 1 25 11 36 o 50.790  3.5676 27.247   2.1844  51.403  3.2296 50.178  6.3624 1.224689       7.135180 
1 1 1 25 11 38 o 25.919  5.1666 8.1155   2.0691  29.990  5.7402 21.847  8.5921 8.143816       10.33312 
1 1 1 25 11 40 o 19.545  5.7053 3.2244   2.5141  17.262  7.3550 21.828  8.7240 -4.566053      11.41068 
1 1 1 25 11 42 o 29.818  5.3101 11.718   2.2303  31.857  6.4386 27.779  8.4458 4.078093       10.62014 
1 1 1 25 12 1  o 178.418 2.9935 319.719  7.5208  175.730 4.4691 181.106 3.9839 -5.375626      5.987046 
1 1 1 25 12 3  o 140.768 2.9666 198.329  5.8853  137.799 4.0312 143.738 4.3533 -5.938141      5.933128 
1 1 1 25 12 5  o 176.742 2.7853 313.229  6.9544  176.539 3.8338 176.945 4.0415 -0.4064026     5.570611 
1 1 1 25 12 7  o 77.197  2.6552 57.912   2.0736  74.677  1.8810 79.716  4.9660 -5.038773      5.310348 
1 1 1 25 12 9  o 77.033  2.3979 58.592   2.1693  75.434  2.1161 78.633  4.3036 -3.198654      4.795749 
1 1 1 25 12 11 o 33.764  4.9078 12.130   1.4027  35.352  2.5286 32.177  9.4843 3.174637       9.815544 
1 1 1 25 12 13 o 88.224  2.2716 76.734   1.9865  86.779  1.5451 89.669  4.2724 -2.889496      4.543236 
1 1 1 25 12 15 o 92.923  2.0203 88.988   2.1991  96.851  1.7141 88.995  3.6591 7.856010       4.040653 
1 1 1 25 12 17 o 97.807  2.1147 95.095   2.1329  96.983  1.5142 98.631  3.9489 -1.647697      4.229318 
1 1 1 25 12 19 o 74.000  2.6546 54.407   2.0368  73.189  1.9193 74.812  4.9502 -1.623138      5.309239 
1 1 1 25 12 21 o 69.596  2.6337 50.456   1.9627  72.745  1.9310 66.447  4.9007 6.298363       5.267438 
1 1 1 25 12 23 f 61.102  2.9458 38.569   2.0117  63.243  2.3221 58.961  5.4146 4.281158       5.891515 
1 1 1 25 12 25 o 45.221  3.9795 23.919   1.7432  52.931  2.4126 37.511  7.5845 15.41919       7.959013 
1 1 1 25 12 27 o 48.335  3.6749 25.940   2.0358  55.076  2.8983 41.594  6.7543 13.48206       7.349883 
1 1 1 25 12 29 o 37.273  4.4449 14.597   1.7801  37.965  3.3637 36.581  8.2288 1.384045       8.889747 
1 1 1 25 12 31 o 21.104  5.3550 4.0066   1.9714  17.844  6.7627 24.365  8.3048 -6.520885      10.71004 
1 1 1 25 12 33 o 21.288  5.4998 3.9672   2.2407  23.075  7.0765 19.501  8.4212 3.573803       10.99967 
1 1 1 25 12 35 o 18.059  5.2005 2.1257   2.0157  15.974  6.6131 20.144  8.0279 -4.169383      10.40100 
1 1 1 25 12 37 o 28.367  5.3382 9.3222   1.9988  27.078  5.8263 29.656  8.9464 -2.578766      10.67635 
1 1 1 25 12 39 o 25.980  5.3886 8.3653   2.1246  27.943  6.5124 24.018  8.5869 3.925350       10.77713 
1 1 1 25 12 41 o 19.709  5.6691 4.1246   2.3384  17.208  7.0254 22.209  8.8994 -5.001131      11.33819 
1 1 1 25 12 43 o 27.672  5.4702 10.124   2.1851  21.207  7.1288 34.137  8.2988 -12.93021      10.94033 
1 1 1 25 13 0  o 36.068  11.825 16.729   7.5344  36.068  11.825 ?       ?      0.000000       0.000000 
1 1 1 25 13 2  o 114.721 3.0286 131.641  4.8958  118.674 4.4119 110.768 4.1503 7.906120       6.057205 
1 1 1 25 13 4  o 148.260 2.8918 219.904  6.0416  152.643 4.2248 143.877 3.9497 8.766815       5.783521 
1 1 1 25 13 6  f 329.549 3.0363 1085.65  13.253  326.585 3.3432 332.513 5.0694 -5.927826      6.072574 
1 1 1 25 13 8  o 267.982 2.6614 723.075  9.5965  271.023 3.0156 264.941 4.3862 6.081726       5.322794 
1 1 1 25 13 10 o 207.787 2.4159 435.057  6.6557  210.498 2.6390 205.077 4.0475 5.421463       4.831849 
1 1 1 25 13 12 o 55.327  2.8602 30.529   1.3063  55.117  1.5060 55.536  5.5186 -0.4192123     5.720384 
1 1 1 25 13 14 o 58.525  2.4539 34.027   1.5454  57.930  1.8738 59.121  4.5360 -1.191494      4.907756 
1 1 1 25 13 16 o 87.119  2.5778 78.196   2.2957  89.797  1.7776 84.440  4.8395 5.357605       5.155612 
1 1 1 25 13 18 o 63.986  3.0414 42.633   1.8117  66.336  1.8288 61.635  5.8013 4.701294       6.082715 
1 1 1 25 13 20 o 121.865 2.1976 150.325  3.1062  123.448 1.8620 120.281 3.9813 3.167015       4.395229 
1 1 1 25 13 22 o 59.068  3.2935 35.405   2.0820  59.604  2.4638 58.532  6.1089 1.072857       6.587035 
1 1 1 25 13 24 o 58.156  3.2209 33.792   2.1218  57.526  2.6639 58.787  5.8651 -1.261425      6.441728 
1 1 1 25 13 26 o 74.213  2.4580 55.812   2.1424  74.923  2.1305 73.502  4.4303 1.420273       4.915969 
1 1 1 25 13 28 o 36.410  5.1230 14.929   2.2754  41.037  4.3566 31.783  9.2736 9.253275       10.24598 
1 1 1 25 13 30 o 48.283  2.9985 24.774   1.8389  52.753  2.9049 43.813  5.2464 8.939568       5.996922 
1 1 1 25 13 32 o 22.175  5.5325 4.7362   1.9437  19.561  6.4610 24.788  8.9827 -5.226879      11.06497 
1 1 1 25 13 34 o 22.223  5.0853 5.1886   1.8153  24.030  5.6656 20.417  8.4465 3.613485       10.17064 
1 1 1 25 13 36 o 46.138  3.5460 23.223   2.0507  49.316  3.3662 42.961  6.2423 6.355839       7.092091 
1 1 1 25 13 38 o 25.077  5.5714 7.4733   2.0987  22.313  6.9706 27.840  8.6932 -5.527136      11.14273 
1 1 1 25 13 40 o 17.062  4.8348 0.8463   2.1156  21.069  7.3636 13.056  6.2672 8.012790       9.669627 
1 1 1 25 13 42 o 23.509  5.7526 7.6498   2.2321  21.082  7.2521 25.936  8.9318 -4.853960      11.50527 
1 1 1 25 14 1  o 181.736 2.7564 330.130  7.0506  187.457 4.0533 176.014 3.7364 11.44229       5.512712 
1 1 1 25 14 3  o 104.823 3.0358 109.628  4.4741  112.618 4.3089 97.026  4.2775 15.59206       6.071534 
1 1 1 25 14 5  o 61.367  4.0116 37.853   3.4655  62.277  5.9466 60.458  5.3862 1.818802       8.023232 
1 1 1 25 14 7  o 48.325  3.7459 23.812   1.7159  49.099  2.3408 47.550  7.1168 1.548355       7.491894 
1 1 1 25 14 9  o 32.054  5.9100 10.068   1.7515  31.925  3.4000 32.183  11.320 -0.2584820     11.82006 
1 1 1 25 14 11 o 82.517  2.8496 66.023   1.9252  80.207  1.5125 84.828  5.4947 -4.621536      5.699120 
1 1 1 25 14 13 o 75.466  2.6097 56.720   1.8353  75.020  1.6171 75.912  4.9626 -0.8920059     5.219400 
1 1 1 25 14 15 o 47.759  3.6931 21.340   1.5892  44.599  2.2907 50.920  7.0221 -6.320908      7.386271 
1 1 1 25 14 17 o 79.036  2.5808 63.042   1.9865  79.546  1.6856 78.527  4.8786 1.018929       5.161624 
1 1 1 25 14 19 f 137.942 2.1080 194.482  3.5017  142.078 1.8875 133.805 3.7698 8.272888       4.215919 
1 1 1 25 14 21 o 98.636  2.2092 98.777   2.5100  100.233 1.8474 97.039  4.0137 3.193901       4.418448 
1 1 1 25 14 23 o 78.422  2.5401 61.946   2.2192  78.704  2.0282 78.139  4.6577 0.5645370      5.080106 
1 1 1 25 14 25 o 95.853  2.2090 93.236   2.5798  97.266  2.0350 94.441  3.9213 2.824661       4.417919 
1 1 1 25 14 27 o 48.989  3.4388 25.175   2.0870  51.812  3.2041 46.165  6.0856 5.646816       6.877545 
1 1 1 25 14 29 o 25.674  5.9827 6.1636   2.0820  20.417  6.4443 30.932  10.082 -10.51544      11.96533 
1 1 1 25 14 31 o 24.547  5.5622 6.2641   2.1844  26.448  6.3480 22.646  9.1354 3.802822       11.12443 
1 1 1 25 14 33 o 23.591  5.5954 5.9131   2.0691  20.467  6.8695 26.716  8.8343 -6.249159      11.19085 
1 1 1 25 14 35 o 30.326  5.5706 10.661   2.2902  29.471  6.4597 31.182  9.0773 -1.711130      11.14118 
1 1 1 25 14 37 o 21.321  5.8015 4.6764   2.3762  20.646  7.3488 21.996  8.9791 -1.349741      11.60300 
1 1 1 25 14 39 o 37.571  4.9535 17.331   2.3882  42.565  4.8002 32.576  8.6665 9.989922       9.907059 
1 1 1 25 14 41 f 17.398  4.8155 2.5375   1.9279  20.142  6.8695 14.653  6.7502 5.489546       9.630991 
1 1 1 25 15 0  o 28.689  10.602 11.110   5.6188  28.689  10.602 ?       ?      0.000000       0.000000 
1 1 1 25 15 2  o 67.373  3.7490 46.246   3.5071  72.979  4.6370 61.768  5.8922 11.21170       7.498022 
1 1 1 25 15 4  o 162.032 2.7181 263.451  6.2239  160.665 3.9344 163.400 3.7513 -2.734573      5.436163 
1 1 1 25 15 6  o 56.261  2.9091 30.584   1.3229  54.535  1.5221 57.987  5.6157 -3.452637      5.818280 
1 1 1 25 15 8  o 112.134 2.0323 126.948  2.8910  113.858 2.0188 110.409 3.5277 3.449066       4.064509 
1 1 1 25 15 10 o 119.306 2.1345 142.310  3.3156  118.774 2.2578 119.839 3.6231 -1.065170      4.269001 
1 1 1 25 15 12 o 86.849  2.0640 75.653   1.9103  86.993  1.5413 86.705  3.8293 0.2886658      4.127900 
1 1 1 25 15 14 o 51.745  3.1478 26.945   1.6031  51.872  2.0926 51.617  5.9376 0.2545738      6.295516 
1 1 1 25 15 16 o 45.963  3.8899 19.619   1.6722  42.382  2.5611 49.543  7.3462 -7.160160      7.779795 
1 1 1 25 15 18 o 108.591 2.3113 119.040  2.5844  109.385 1.6344 107.797 4.3239 1.587914       4.622526 
1 1 1 25 15 20 o 82.855  2.1814 69.241   2.1844  83.500  1.9882 82.210  3.8834 1.290413       4.362744 
1 1 1 25 15 22 o 66.404  2.8005 43.754   1.9407  65.439  2.0490 67.370  5.2127 -1.931190      5.600946 
1 1 1 25 15 24 o 134.681 2.1153 181.826  3.5017  134.044 2.0006 135.319 3.7276 -1.275070      4.230570 
1 1 1 25 15 26 o 81.014  2.5625 67.833   2.4946  84.160  2.2760 77.868  4.5919 6.292564       5.125055 
1 1 1 25 15 28 o 17.199  5.0075 1.2052   1.8437  16.530  6.2337 17.869  7.8385 -1.338726      10.01503 
1 1 1 25 15 30 o 51.440  3.9384 26.963   2.2424  50.706  3.1481 52.174  7.2204 -1.468414      7.876805 
1 1 1 25 15 32 o 37.959  4.5678 15.550   1.9265  38.305  3.6672 37.613  8.3672 0.6918526      9.135595 
1 1 1 25 15 34 o 25.841  5.7699 7.5482   2.2520  22.574  7.2476 29.109  8.9801 -6.534786      11.53987 
1 1 1 25 15 36 o 21.395  5.4159 4.5915   2.0585  16.502  6.6900 26.288  8.5190 -9.786385      10.83186 
1 1 1 25 15 38 o 11.931  4.0519 -4.8586  2.0253  12.221  5.7608 11.640  5.6997 0.5808458      8.103899 
1 1 1 25 15 40 o 17.648  5.3522 2.4570   2.2407  16.260  6.7330 19.036  8.3217 -2.776762      10.70438 
1 1 1 25 16 1  o 223.395 3.0013 500.603  9.4731  221.176 4.1571 225.614 4.3300 -4.438416      6.002536 
1 1 1 25 16 3  o 178.753 3.0948 320.616  7.8111  177.493 4.2449 180.014 4.5047 -2.520889      6.189577 
1 1 1 25 16 5  o 166.915 3.0048 278.126  7.0046  162.011 3.9017 171.819 4.5709 -9.808426      6.009661 
1 1 1 25 16 7  o 223.725 2.8117 486.165  7.6328  212.561 2.6734 234.889 4.9474 -22.32742      5.623488 
1 1 1 25 16 9  o 99.970  3.0975 100.802  3.2181  100.567 2.2222 99.373  5.7828 1.193619       6.195035 
1 1 1 25 16 11 o 117.240 2.5064 136.883  3.4012  116.102 2.1448 118.377 4.5308 -2.275421      5.012816 
1 1 1 25 16 13 o 53.301  3.9639 28.115   1.6396  52.607  1.9420 53.996  7.6863 -1.388748      7.927856 
1 1 1 25 16 15 o 28.873  4.3467 8.3150   1.3734  28.077  3.4112 29.670  7.9961 -1.593220      8.693350 
1 1 1 25 16 17 o 92.450  2.1337 86.450   2.2072  93.469  1.7078 91.432  3.9107 2.036865       4.267334 
1 1 1 25 16 19 o 103.936 2.4398 110.724  2.7043  106.528 1.7981 101.343 4.5363 5.184792       4.879683 
1 1 1 25 16 21 o 77.228  2.3084 60.337   2.0708  78.055  1.9632 76.401  4.1786 1.653801       4.616832 
1 1 1 25 16 23 o 85.543  2.3333 75.662   2.4463  89.476  2.1408 81.609  4.1467 7.866730       4.666698 
1 1 1 25 16 25 o 85.857  2.2200 73.888   2.3396  85.237  2.0975 86.476  3.9133 -1.239372      4.439956 
1 1 1 25 16 27 o 37.627  4.6521 14.182   1.9627  35.257  3.9842 39.996  8.4079 -4.739021      9.304116 
1 1 1 25 16 29 o 49.272  3.5486 24.825   2.2067  48.728  3.5379 49.815  6.1524 -1.086502      7.097134 
1 1 1 25 16 31 o 63.095  2.9494 41.670   2.2921  65.015  2.7499 61.175  5.2187 3.839737       5.898844 
1 1 1 25 16 33 o 28.691  5.4354 9.7995   2.2925  33.898  4.8973 23.483  9.7052 10.41546       10.87085 
1 1 1 25 16 35 o 30.094  5.9613 11.050   2.4789  30.318  6.5057 29.870  9.9912 0.4474277      11.92264 
1 1 1 25 16 37 o 14.227  4.6385 -2.6835  2.2566  15.057  6.6147 13.398  6.5046 1.659306       9.277061 
1 1 1 25 16 39 o 23.493  5.4655 7.1693   2.3854  27.912  7.0781 19.073  8.3298 8.839220       10.93095 
1 1 1 25 17 0  o 297.056 5.3991 886.372  32.053  297.056 5.3991 ?       ?      0.000000       0.000000 
1 1 1 25 17 2  o 188.283 3.0948 356.223  8.2323  187.516 4.4947 189.049 4.2556 -1.532837      6.189691 
1 1 1 25 17 4  f 150.474 2.6900 227.546  5.7130  147.007 3.9525 153.942 3.6500 -6.934937      5.379989 
1 1 1 25 17 6  o 125.047 2.2553 153.100  3.1438  121.392 1.8409 128.701 4.1177 -7.309052      4.510536 
1 1 1 25 17 8  o 118.476 2.1243 142.192  3.1985  120.894 2.1126 116.058 3.6861 4.835518       4.248559 
1 1 1 25 17 10 o 119.867 2.2809 145.741  3.4556  122.391 2.2433 117.344 3.9722 5.046783       4.561839 
1 1 1 25 17 12 f 102.349 1.6792 105.191  2.1377  102.779 1.6152 101.919 2.9445 0.8601532      3.358394 
1 1 1 25 17 14 o 132.469 2.0551 174.453  3.1455  130.928 1.7556 134.009 3.7164 -3.081802      4.110225 
1 1 1 25 17 16 o 46.471  3.7019 18.606   1.6014  39.572  2.5817 53.369  6.9390 -13.79794      7.403732 
1 1 1 25 17 18 o 86.880  2.3500 77.516   2.2802  89.481  1.8553 84.279  4.3184 5.202591       4.700045 
1 1 1 25 17 20 o 89.503  2.2055 82.900   2.4294  94.175  2.0340 84.830  3.9140 9.344833       4.410926 
1 1 1 25 17 22 o 112.458 2.5769 131.424  3.1210  116.845 1.9126 108.070 4.7857 8.774742       5.153702 
1 1 1 25 17 24 o 111.439 1.8249 125.205  2.6919  112.250 1.9909 110.629 3.0589 1.620789       3.649755 
1 1 1 25 17 26 o 61.762  3.4692 39.973   2.3164  63.991  2.5943 59.533  6.4351 4.457787       6.938357 
1 1 1 25 17 28 o 45.380  4.5425 21.666   2.2192  45.676  3.4947 45.083  8.3860 0.5927963      9.085097 
1 1 1 25 17 30 o 64.772  2.8852 43.056   2.3609  64.487  2.8714 65.058  5.0053 -0.5712433     5.770476 
1 1 1 25 17 32 o 38.250  4.4520 16.699   2.1246  42.453  4.2113 34.046  7.8451 8.406891       8.903987 
1 1 1 25 17 34 o 48.893  4.3578 27.259   2.3126  52.680  3.2725 45.106  8.0778 7.573425       8.715560 
1 1 1 25 17 36 o 65.100  3.4319 47.191   2.5952  69.961  2.8293 60.240  6.2537 9.721184       6.863887 
1 1 1 25 17 38 o 43.900  5.1990 24.460   2.7196  48.568  4.4699 39.232  9.3883 9.336098       10.39810 
1 1 1 25 17 40 o 25.056  5.5995 8.6299   2.3994  18.327  7.4801 31.785  8.3345 -13.45856      11.19896 
1 1 1 25 18 1  o 87.154  3.6522 76.547   4.5012  86.390  5.1737 87.918  5.1564 -1.528854      7.304454 
1 1 1 25 18 3  o 123.722 2.9084 154.065  5.0663  125.453 3.8681 121.991 4.3442 3.461426       5.816750 
1 1 1 25 18 5  o 106.827 2.1993 107.253  2.1656  100.346 1.3999 113.309 4.1699 -12.96352      4.398643 
1 1 1 25 18 7  o 76.406  2.6719 56.481   2.2645  72.913  2.1893 79.898  4.8748 -6.984879      5.343846 
1 1 1 25 18 9  o 76.569  2.6814 61.047   2.3263  80.397  2.1443 72.742  4.9155 7.655006       5.362875 
1 1 1 25 18 11 o 30.294  4.8450 9.7346   1.3063  31.720  2.6168 28.867  9.3299 2.853619       9.689903 
1 1 1 25 18 13 o 40.676  4.2294 15.189   1.5762  36.556  2.7946 44.796  7.9838 -8.239651      8.458761 
1 1 1 25 18 15 o 104.006 2.2099 108.375  2.5728  103.800 1.7839 104.212 4.0438 -0.4116058     4.419785 
1 1 1 25 18 17 o 184.831 2.3267 344.425  5.0067  185.963 1.9914 183.699 4.2058 2.264465       4.653404 
1 1 1 25 18 19 o 132.470 2.3616 176.105  3.4747  132.279 1.8825 132.661 4.3318 -0.3818512     4.723136 
1 1 1 25 18 21 o 47.156  3.6919 23.965   1.9581  51.134  2.8720 43.178  6.8023 7.955639       7.383789 
1 1 1 25 18 23 o 47.520  4.3302 22.109   2.0823  45.291  3.1015 49.748  8.0860 -4.456242      8.660376 
1 1 1 25 18 25 o 52.811  3.2540 29.971   1.9988  57.172  2.6804 48.450  5.9304 8.721512       6.507950 
1 1 1 25 18 27 o 77.276  3.2413 59.678   2.7259  75.313  2.5434 79.239  5.9629 -3.925514      6.482699 
1 1 1 25 18 29 o 58.256  3.7647 34.171   2.3155  56.051  2.8479 60.460  6.9701 -4.409756      7.529421 
1 1 1 25 18 31 o 37.604  4.4925 15.331   2.1044  36.952  4.4926 38.256  7.7811 -1.303112      8.984937 
1 1 1 25 18 33 o 58.548  3.0075 35.935   2.3882  58.343  3.5021 58.753  4.8905 -0.4101448     6.015085 
1 1 1 25 18 35 o 36.707  4.7837 15.538   2.2227  37.035  4.8273 36.379  8.2603 0.6562881      9.567469 
1 1 1 25 18 37 o 12.621  4.2474 -3.4951  2.0707  11.709  5.6488 13.532  6.3444 -1.823302      8.494720 
1 1 1 25 18 39 o 19.273  5.3945 4.4583   2.0789  16.789  6.7378 21.756  8.4265 -4.967266      10.78908 
1 1 1 25 19 0  o 199.777 4.1589 400.853  16.601  199.777 4.1589 ?       ?      0.000000       0.000000 
1 1 1 25 19 2  o 173.205 2.8803 301.000  7.0230  169.238 3.8860 177.172 4.2526 -7.933517      5.760663 
1 1 1 25 19 4  o 136.506 3.0427 187.508  5.8715  134.024 4.2877 138.989 4.3183 -4.964935      6.085401 
1 1 1 25 19 6  o 182.970 2.3733 334.229  5.5601  181.067 2.4332 184.874 4.0754 -3.807327      4.746499 
1 1 1 25 19 8  o 172.419 2.4084 294.372  5.3379  167.711 2.5127 177.126 4.1095 -9.414902      4.816802 
1 1 1 25 19 10 o 89.722  2.5692 78.486   1.9927  87.420  1.4608 92.024  4.9263 -4.603241      5.138335 
1 1 1 25 19 12 o 61.205  3.0904 37.454   1.6722  60.914  1.7819 61.495  5.9183 -0.5806694     6.180760 
1 1 1 25 19 14 o 56.587  3.9322 33.808   1.7208  58.890  1.8432 54.285  7.6454 4.605019       7.864422 
1 1 1 25 19 16 o 61.616  3.3072 40.314   1.8276  64.862  1.8704 58.371  6.3444 6.490360       6.614401 
1 1 1 25 19 18 o 70.571  2.7852 50.015   1.9689  70.397  1.9047 70.746  5.2347 -0.3488998     5.570451 
1 1 1 25 19 20 o 68.006  3.1457 47.409   2.5397  69.373  2.7612 66.640  5.6531 2.733635       6.291365 
1 1 1 25 19 22 o 28.626  4.5958 8.8562   1.8057  29.602  5.8154 27.650  7.1179 1.951885       9.191531 
1 1 1 25 19 24 o 24.759  5.3757 6.5324   2.0629  22.460  7.3790 27.057  7.8193 -4.597605      10.75135 
1 1 1 25 19 26 o 32.326  4.8046 11.341   2.1156  36.191  6.7785 28.462  6.8110 7.728649       9.609222 
1 1 1 25 19 28 o 27.207  5.4671 8.5560   2.2024  27.226  7.6556 27.188  7.8071 0.3791618E-01  10.93425 
1 1 1 25 19 30 f 18.432  5.1387 2.7559   1.9773  18.194  7.3213 18.670  7.2128 -0.4761944     10.27745 
1 1 1 25 19 32 o 14.253  4.5986 -2.0253  1.9933  11.068  5.3227 17.439  7.5004 -6.371234      9.197104 
1 1 1 25 19 34 o 22.124  5.4993 5.6055   2.0585  19.113  6.9548 25.135  8.5206 -6.021549      10.99864 
1 1 1 25 19 36 o 17.745  5.2391 2.6235   2.0789  15.666  6.5571 19.823  8.1730 -4.156875      10.47821 
1 1 1 25 19 38 o 17.448  5.2866 2.6642   2.3196  16.972  7.2410 17.924  7.7045 -0.9518661     10.57312 
1 1 1 25 20 1  o 157.730 3.1344 249.658  6.9390  162.279 4.6822 153.180 4.1683 9.098907       6.268795 
1 1 1 25 20 3  o 80.382  4.0331 65.649   4.5597  77.883  6.0667 82.880  5.3157 -4.997589      8.066104 
1 1 1 25 20 5  o 86.598  2.4499 73.948   2.2194  84.884  1.8053 88.311  4.5550 -3.427071      4.899714 
1 1 1 25 20 7  o 18.766  5.0495 2.1935   1.4197  17.525  4.9075 20.006  8.8265 -2.480381      10.09907 
1 1 1 25 20 9  o 89.443  3.0344 78.545   2.6655  87.228  2.0496 91.659  5.7122 -4.431252      6.068761 
1 1 1 25 20 11 o 69.092  3.2341 47.650   1.8175  68.693  1.6731 69.490  6.2482 -0.7963257     6.468286 
1 1 1 25 20 13 o 19.817  5.1418 3.1287   1.6090  17.372  5.7158 22.261  8.5488 -4.888268      10.28359 
1 1 1 25 20 15 o 21.001  4.2775 4.6033   1.3378  21.202  5.8401 20.801  6.2515 0.4013062      8.554994 
1 1 1 25 20 17 o 41.706  2.8682 17.814   1.6601  46.376  3.5797 37.037  4.4823 9.338829       5.736330 
1 1 1 25 20 19 o 76.623  1.9518 59.033   2.0897  76.456  2.5054 76.790  2.9934 -0.3340225     3.903511 
1 1 1 25 20 21 o 44.947  2.9378 20.648   1.8429  46.419  3.7140 43.475  4.5529 2.943848       5.875579 
1 1 1 25 20 23 o 25.270  4.9830 6.9729   1.8429  25.592  6.6696 24.948  7.4053 0.6432915      9.965985 
1 1 1 25 20 25 o 24.338  5.2061 6.5127   1.9344  24.292  6.9852 24.383  7.7215 -0.9101295E-01 10.41220 
1 1 1 25 20 27 o 22.078  5.0799 4.8407   2.0412  17.003  7.1889 27.152  7.1792 -10.14948      10.15979 
1 1 1 25 20 29 o 38.713  3.9793 16.068   2.1540  38.632  5.1236 38.793  6.0899 -0.1606255     7.958520 
1 1 1 25 20 31 o 23.138  5.9087 6.1313   2.4836  21.535  8.0921 24.740  8.6121 -3.205938      11.81738 
1 1 1 25 20 33 o 17.055  4.8698 2.3188   1.8147  17.292  6.8059 16.818  6.9671 0.4733486      9.739695 
1 1 1 25 20 35 o 23.789  5.8611 7.5327   2.4479  22.446  8.4966 25.133  8.0756 -2.687216      11.72211 
1 1 1 25 20 37 o 17.234  5.2689 1.9371   2.4479  15.620  7.1989 18.847  7.6954 -3.226604      10.53776 
1 1 1 25 21 0  o 122.338 3.9758 150.687  9.7053  122.338 3.9758 ?       ?      0.000000       0.000000 
1 1 1 25 21 2  o 71.637  4.5984 51.985   4.4234  72.705  7.5526 70.569  5.2478 2.136581       9.196806 
1 1 1 25 21 4  o 25.039  5.1143 5.7465   1.2495  23.914  3.2040 26.164  9.7139 -2.249647      10.22865 
1 1 1 25 21 6  o 53.740  4.2300 28.936   1.9025  53.419  2.2710 54.061  8.1494 -0.6421700     8.459957 
1 1 1 25 21 8  o 113.270 2.2760 128.805  3.3340  113.197 2.3691 113.343 3.8870 -0.1460266     4.552090 
1 1 1 25 21 10 o 108.993 1.4571 118.379  2.1892  106.768 1.7941 111.218 2.2964 -4.449966      2.914146 
1 1 1 25 21 12 o 96.008  1.6609 92.674   2.2056  97.037  2.0398 94.978  2.6218 2.058693       3.321866 
1 1 1 25 21 14 o 95.914  1.6510 91.903   2.2056  93.725  2.1119 98.103  2.5383 -4.378296      3.301978 
1 1 1 25 21 16 o 22.868  4.5361 5.5204   1.5297  24.452  6.4389 21.284  6.3910 3.167616       9.072152 
1 1 1 25 21 18 o 60.558  2.1657 36.950   1.8495  57.043  3.1341 64.073  2.9896 -7.030052      4.331332 
1 1 1 25 21 20 o 62.718  2.1230 39.607   1.8787  60.050  2.9772 65.386  3.0272 -5.335484      4.245915 
1 1 1 25 21 22 o 73.490  2.0878 54.446   2.1634  71.104  2.8736 75.875  3.0295 -4.771065      4.175523 
1 1 1 25 21 24 o 37.633  3.5394 14.735   1.8787  39.586  5.0001 35.679  5.0108 3.906822       7.078791 
1 1 1 25 21 26 o 32.532  4.5143 11.870   2.0067  28.257  7.3779 36.807  5.2042 -8.550415      9.028651 
1 1 1 25 21 28 o 30.918  5.1736 11.110   2.2348  28.947  7.6167 32.889  7.0035 -3.941286      10.34713 
1 1 1 25 21 30 o 30.306  5.0809 11.054   2.2447  35.853  5.6989 24.759  8.4134 11.09412       10.16182 
1 1 1 25 21 32 o 23.919  6.5460 6.4580   2.8733  19.195  7.6846 28.643  10.599 -9.448490      13.09204 
1 1 1 25 21 34 o 34.541  4.5691 14.697   2.0897  40.506  4.7290 28.576  7.8195 11.92974       9.138213 
1 1 1 25 21 36 o 23.570  5.4673 7.5672   2.2329  19.039  7.5918 28.101  7.8696 -9.062395      10.93463 
1 1 1 25 22 1  o 89.625  2.6564 77.661   2.0106  86.684  1.4732 92.566  5.1044 -5.881828      5.312744 
1 1 1 25 22 3  o 87.207  2.8543 77.371   2.3781  88.338  1.8070 86.076  5.4151 2.262016       5.708620 
1 1 1 25 22 5  o 100.189 2.9541 98.860   2.9361  98.033  2.0191 102.346 5.5524 -4.313248      5.908136 
1 1 1 25 22 7  o 63.544  1.6010 40.447   1.4303  63.935  2.3968 63.152  2.1232 0.7825851      3.202009 
1 1 1 25 22 9  o 64.475  1.6188 41.744   1.4575  64.937  2.0649 64.012  2.4937 0.9240875      3.237607 
1 1 1 25 22 11 o 50.149  1.9897 25.276   1.4018  54.529  2.6932 45.768  2.9297 8.760708       3.979469 
1 1 1 25 22 13 o 79.796  1.7309 63.714   1.9218  78.396  2.1990 81.196  2.6737 -2.799805      3.461842 
1 1 1 25 22 15 o 41.977  2.3106 17.694   1.3661  39.948  3.1967 44.005  3.3373 -4.056404      4.621255 
1 1 1 25 22 17 o 52.223  2.4212 27.583   1.7878  52.834  3.3838 51.612  3.4640 1.222649       4.842449 
1 1 1 25 22 19 o 57.461  2.1619 33.237   1.7414  56.016  2.8496 58.905  3.2519 -2.888653      4.323776 
1 1 1 25 22 21 o 25.218  5.0407 6.9838   1.9344  22.243  7.7279 28.194  6.4741 -5.951250      10.08139 
1 1 1 25 22 23 o 13.904  4.2590 -1.9643  1.7553  17.364  6.8148 10.445  5.1103 6.919006       8.518067 
1 1 1 25 22 25 o 23.172  5.9539 5.5235   2.3762  25.981  9.3775 20.362  7.3387 5.619204       11.90774 
1 1 1 25 22 27 o 36.197  4.0035 14.214   1.9464  35.856  6.4691 36.539  4.7182 -0.6824684     8.006933 
1 1 1 25 22 29 o 47.633  3.1306 23.942   2.1051  45.435  4.4970 49.831  4.3566 -4.396084      6.261214 
1 1 1 25 22 31 o 32.541  5.2255 13.082   2.4578  25.961  8.4117 39.121  6.2020 -13.16067      10.45095 
1 1 1 25 22 33 o 22.721  5.9003 6.8222   2.4836  22.931  8.5377 22.510  8.1464 0.4200153      11.80066 
1 1 1 25 22 35 o 15.849  4.9587 0.7734   2.2555  17.013  7.1908 14.685  6.8298 2.327780       9.917387 
1 1 1 25 23 0  o 107.465 1.8431 115.697  3.9587  107.465 1.8431 ?       ?      0.000000       0.000000 
1 1 1 25 23 2  o 85.265  1.3261 72.736   1.5860  86.113  2.0020 84.417  1.7396 1.695297       2.652228 
1 1 1 25 23 4  f 104.723 1.6181 110.017  2.3906  104.767 2.1940 104.679 2.3789 0.8731079E-01  3.236162 
1 1 1 25 23 6  o 87.983  1.6962 77.687   2.0993  87.822  2.2538 88.144  2.5354 -0.3222198     3.392325 
1 1 1 25 23 8  o 42.868  1.8952 18.417   1.1458  44.941  2.6994 40.796  2.6607 4.145470       3.790316 
1 1 1 25 23 10 o 83.933  1.6286 71.002   1.8964  85.487  2.0166 82.379  2.5578 3.107628       3.257137 
1 1 1 25 23 12 o 114.722 1.6877 132.633  2.6832  116.418 2.0841 113.026 2.6551 3.392258       3.375400 
1 1 1 25 23 14 o 43.317  2.6589 19.005   1.6276  42.001  3.8005 44.632  3.7195 -2.630932      5.317795 
1 1 1 25 23 16 o 14.267  4.2941 0.0426   1.5218  15.992  6.5365 12.541  5.5705 3.450816       8.588112 
1 1 1 25 23 18 o 35.110  3.7976 12.777   1.8830  34.543  5.5452 35.677  5.1901 -1.133583      7.595180 
1 1 1 25 23 20 o 58.123  2.3762 34.331   1.9344  58.263  3.6165 57.983  3.0833 0.2801514      4.752452 
1 1 1 25 23 22 o 47.155  2.7769 22.907   1.8495  47.579  4.0259 46.732  3.8257 0.8478966      5.553748 
1 1 1 25 23 24 o 53.198  3.0144 29.436   2.2626  55.924  4.2244 50.472  4.3013 5.452732       6.028795 
1 1 1 25 23 26 f 18.562  5.1846 2.5501   2.0993  16.541  7.2064 20.582  7.4559 -4.041039      10.36929 
1 1 1 25 23 28 o 17.045  4.9946 1.7878   1.9794  17.603  7.1565 16.487  6.9690 1.115997       9.989150 
1 1 1 25 23 30 o 30.852  5.1088 11.656   2.2024  33.845  6.8423 27.860  7.5884 5.985239       10.21767 
1 1 1 25 23 32 o 21.051  5.3251 5.4567   1.9500  23.390  8.1775 18.712  6.8232 4.678009       10.65023 
1 1 1 25 23 34 o 30.922  5.8817 13.746   2.6494  28.710  8.6395 33.133  7.9836 -4.422834      11.76344 
1 1 1 25 24 1  o 63.178  1.7601 40.098   1.5480  63.207  2.2224 63.149  2.7300 0.5858994E-01  3.520207 
1 1 1 25 24 3  o 50.672  1.7207 25.634   1.1594  49.961  1.9170 51.383  2.8581 -1.421474      3.441432 
1 1 1 25 24 5  f 26.409  2.4873 6.9663   0.9159  23.049  3.6013 29.769  3.4318 -6.720047      4.974626 
1 1 1 25 24 7  o 48.331  1.9164 23.441   1.3019  47.558  2.5509 49.104  2.8607 -1.545555      3.832829 
1 1 1 25 24 9  o 61.530  2.0000 38.053   1.6861  61.228  2.3985 61.833  3.2011 -0.6049118     4.000025 
1 1 1 25 24 11 o 112.818 1.7560 128.093  2.7331  113.155 2.1442 112.482 2.7815 0.6724091      3.512044 
1 1 1 25 24 13 o 100.851 1.6560 102.093  2.3556  98.508  2.2686 103.193 2.4131 -4.685448      3.312057 
1 1 1 25 24 15 o 64.378  2.1044 41.841   1.9134  61.872  2.9927 66.884  2.9594 -5.012524      4.208857 
1 1 1 25 24 17 o 42.832  3.1691 18.823   1.9134  40.187  4.6076 45.478  4.3523 -5.291351      6.338246 
1 1 1 25 24 19 o 33.055  3.7910 11.685   1.7240  30.983  5.7793 35.128  4.9077 -4.145252      7.581951 
1 1 1 25 24 21 o 62.087  2.6238 39.695   2.2968  63.421  3.5237 60.753  3.8886 2.667999       5.247638 
1 1 1 25 24 23 o 58.774  2.5864 35.686   2.1271  57.986  3.9641 59.562  3.3232 -1.575954      5.172764 
1 1 1 25 24 25 o 47.917  3.3352 24.291   2.1691  48.398  5.4090 47.436  3.9035 0.9618073      6.670440 
1 1 1 25 24 27 o 14.396  4.6539 -1.6601  2.1385  14.506  6.6312 14.286  6.5316 0.2201061      9.307742 
1 1 1 25 24 29 o 28.043  5.5218 9.9695   2.2968  25.140  7.9511 30.946  7.6644 -5.805201      11.04367 
1 1 1 25 24 31 o 42.582  4.6558 21.731   2.5386  43.549  4.8384 41.615  7.9559 1.934349       9.311628 
1 1 1 25 24 33 o 30.913  4.9124 12.080   2.0813  37.361  6.9251 24.466  6.9692 12.89587       9.824791 
1 1 1 25 25 0  o 98.565  2.4000 97.563   4.7249  98.565  2.4000 ?       ?      0.000000       0.000000 
1 1 1 25 25 2  o 115.321 1.7386 134.037  2.7731  116.662 2.1345 113.980 2.7449 2.682198       3.477181 
1 1 1 25 25 4  o 61.687  1.7647 37.885   1.4898  59.674  2.1400 63.700  2.8066 -4.026150      3.529396 
1 1 1 25 25 6  o 62.988  1.8065 39.409   1.5324  60.834  2.0992 65.141  2.9405 -4.307823      3.612944 
1 1 1 25 25 8  f 30.619  3.2559 9.5950   1.4018  31.274  4.2874 29.964  4.9010 1.309826       6.511703 
1 1 1 25 25 10 o 17.957  4.3646 3.0983   1.3287  18.819  6.4599 17.095  5.8711 1.724012       8.729274 
1 1 1 25 25 12 o 19.570  4.4654 3.8679   1.4359  21.818  6.3495 17.322  6.2804 4.495792       8.930834 
1 1 1 25 25 14 o 31.408  3.4723 10.273   1.4944  34.907  4.5729 27.909  5.2265 6.997711       6.944646 
1 1 1 25 25 16 o 72.892  2.2085 54.098   2.2555  73.765  2.8565 72.020  3.3690 1.745308       4.416925 
1 1 1 25 25 18 o 68.554  2.2480 48.031   2.1634  69.612  2.9351 67.495  3.4056 2.117462       4.495915 
1 1 1 25 25 20 o 53.040  2.7704 29.133   2.0746  51.929  4.0576 54.152  3.7731 -2.223183      5.540831 
1 1 1 25 25 22 o 31.102  4.5807 10.945   1.9344  30.318  7.0727 31.886  5.8231 -1.568678      9.161424 
1 1 1 25 25 24 f 17.201  5.1097 1.6001   2.0993  17.475  7.3968 16.926  7.0514 0.5490093      10.21939 
1 1 1 25 25 26 o 15.998  4.9560 0.4041   2.1271  16.976  7.3509 15.020  6.6493 1.956382       9.912069 
1 1 1 25 25 28 o 33.374  5.1025 13.640   2.3940  28.636  8.1067 38.113  6.1986 -9.477026      10.20497 
1 1 1 25 25 30 o 52.513  3.5396 31.096   2.5855  57.573  4.4361 47.452  5.5168 10.12081       7.079168 
1 1 1 25 25 32 o 31.909  5.5799 14.397   2.5397  28.133  8.7984 35.685  6.8652 -7.552427      11.15987 
1 1 1 25 26 1  o 85.820  1.7196 74.302   2.0629  84.477  2.6454 87.163  2.1976 -2.686188      3.439141 
1 1 1 25 26 3  o 105.280 1.7843 111.481  2.6309  104.613 2.3193 105.946 2.7120 -1.333328      3.568512 
1 1 1 25 26 5  o 123.805 1.7767 155.388  3.0169  126.930 2.1128 120.681 2.8571 6.248604       3.553382 
1 1 1 25 26 7  o 125.564 1.6834 159.301  2.9522  128.297 2.1400 122.831 2.5991 5.465553       3.366762 
1 1 1 25 26 9  o 78.342  1.8949 61.740   2.0157  77.726  2.2180 78.959  3.0729 -1.233589      3.789739 
1 1 1 25 26 11 o 14.725  4.1572 0.0679   1.4998  11.165  5.2563 18.286  6.4420 -7.120676      8.314380 
1 1 1 25 26 13 o 16.920  4.6145 2.2465   1.5585  16.918  6.3756 16.921  6.6729 -0.3324509E-02 9.229028 
1 1 1 25 26 15 o 36.379  3.3578 13.994   1.6770  34.213  5.4122 38.545  3.9757 -4.332203      6.715501 
1 1 1 25 26 17 o 67.885  2.2281 47.051   2.1385  67.577  3.1180 68.192  3.1835 -0.6155930     4.456107 
1 1 1 25 26 19 o 49.302  2.9312 25.285   2.0432  48.654  4.1994 49.950  4.0906 -1.295090      5.862423 
1 1 1 25 26 21 o 61.677  2.5338 39.500   2.2024  63.986  3.3928 59.367  3.7643 4.619251       5.067638 
1 1 1 25 26 23 o 41.746  4.4067 19.870   2.2986  38.635  7.7099 44.857  4.2702 -6.222164      8.813462 
1 1 1 25 26 25 o 16.796  5.0244 1.0967   2.1540  15.168  6.9271 18.424  7.2796 -3.255498      10.04879 
1 1 1 25 26 27 o 23.694  5.2144 6.3496   2.2968  31.234  7.6208 16.154  7.1193 15.07958       10.42885 
1 1 1 25 26 29 o 22.599  5.9264 6.8896   2.6163  19.877  8.2395 25.320  8.5206 -5.443300      11.85284 
1 1 1 25 27 0  o 51.720  3.1097 27.200   3.1925  51.720  3.1097 ?       ?      0.000000       0.000000 
1 1 1 25 27 2  o 54.554  2.2104 30.222   1.6770  53.672  3.4500 55.437  2.7643 -1.764633      4.420777 
1 1 1 25 27 4  o 56.370  2.0241 32.216   1.5733  55.564  3.2176 57.177  2.4568 -1.612850      4.048299 
1 1 1 25 27 6  o 118.879 1.8422 143.282  2.9358  120.571 2.0653 117.187 3.0512 3.384506       3.684490 
1 1 1 25 27 8  o 106.901 1.7234 115.736  2.5666  108.927 2.1689 104.874 2.6788 4.052383       3.446757 
1 1 1 25 27 10 o 21.680  4.7330 5.1540   1.5937  22.513  6.8021 20.848  6.5831 1.664719       9.466090 
1 1 1 25 27 12 o 24.792  4.3843 6.9297   1.5585  21.785  6.8472 27.800  5.4777 -6.014675      8.768671 
1 1 1 25 27 14 o 19.470  4.7929 3.8630   1.6380  18.459  7.0998 20.481  6.4406 -2.021919      9.585881 
1 1 1 25 27 16 o 23.838  5.0153 6.5262   1.8147  23.377  7.3566 24.300  6.8187 -0.9229507     10.03064 
1 1 1 25 27 18 o 18.367  4.7539 3.2601   1.6226  20.110  6.9899 16.623  6.4453 3.487148       9.507895 
1 1 1 25 27 20 o 18.404  4.9412 3.2153   1.7855  17.645  7.0190 19.163  6.9566 -1.518097      9.882364 
1 1 1 25 27 22 o 23.512  5.7131 6.3744   2.1213  26.460  9.1306 20.564  6.8695 5.895245       11.42620 
1 1 1 25 27 24 o 23.675  5.4500 6.9384   2.0993  25.720  7.9167 21.630  7.4925 4.089325       10.90004 
1 1 1 25 27 26 o 41.572  3.9706 19.804   2.3301  40.568  5.8235 42.576  5.3989 -2.007931      7.941136 
1 1 1 25 27 28 o 58.638  3.1998 38.076   2.6402  58.421  4.2624 58.854  4.7735 -0.4332619     6.399595 
1 1 1 25 28 1  o 58.853  2.1530 35.286   1.7855  57.840  3.2014 59.865  2.8797 -2.025436      4.305987 
1 1 1 25 28 3  f 55.417  2.2039 31.315   1.7216  54.688  3.2691 56.147  2.9567 -1.458820      4.407900 
1 1 1 25 28 5  o 69.247  1.9008 48.407   1.8164  70.404  2.9928 68.091  2.3443 2.312492       3.801692 
1 1 1 25 28 7  o 33.054  3.6498 11.794   1.6276  36.794  4.3383 29.313  5.8705 7.480974       7.299600 
1 1 1 25 28 9  o 13.916  4.3167 -0.3230  1.6276  13.593  6.0004 14.239  6.2073 -0.6463661     8.633362 
1 1 1 25 28 11 o 48.139  2.7710 23.973   1.8830  46.044  4.0215 50.233  3.8133 -4.188774      5.541955 
1 1 1 25 28 13 o 22.181  5.1582 5.5020   1.8830  21.190  7.3677 23.173  7.2212 -1.983109      10.31638 
1 1 1 25 28 15 o 15.046  4.5440 0.4257   1.7145  16.733  6.8820 13.359  5.9354 3.374237       9.087990 
1 1 1 25 28 17 o 41.214  3.2676 18.157   1.8787  38.995  5.0759 43.433  4.1163 -4.437611      6.535213 
1 1 1 25 28 19 o 47.872  2.9965 24.294   2.0067  45.682  4.6125 50.061  3.8263 -4.379787      5.992987 
1 1 1 25 28 21 o 25.671  5.5456 8.2173   2.1654  26.327  8.4000 25.015  7.2426 1.311916       11.09119 
1 1 1 25 28 23 o 17.238  5.1473 1.5890   2.2275  15.559  7.0525 18.917  7.4994 -3.358342      10.29459 
1 1 1 25 28 25 f 15.760  4.8818 0.5747   2.1540  17.087  7.0807 14.432  6.7226 2.655349       9.763665 
1 1 1 25 28 27 o 14.670  4.8986 -2.2652  2.6574  15.450  7.2748 13.890  6.5621 1.559960       9.797179 
1 1 1 25 29 0  o 11.856  7.1755 1.6601   3.0648  11.856  7.1755 ?       ?      0.000000       0.000000 
1 1 1 25 29 2  o 39.867  3.2303 16.608   1.8192  40.379  4.4276 39.356  4.7049 1.022915       6.460632 
1 1 1 25 29 4  o 62.110  2.1863 39.274   1.8964  62.958  3.3468 61.263  2.8140 1.694515       4.372618 
1 1 1 25 29 6  o 15.346  4.4057 1.3595   1.4659  15.530  6.6584 15.163  5.7711 0.3661032      8.811314 
1 1 1 25 29 8  o 53.896  2.8090 30.323   2.0761  52.239  4.5225 55.553  3.3332 -3.314289      5.618058 
1 1 1 25 29 10 o 67.845  2.2659 47.155   2.1690  68.739  3.0653 66.951  3.3379 1.788010       4.531894 
1 1 1 25 29 12 o 48.150  2.6631 24.215   1.7673  46.568  4.2505 49.732  3.2097 -3.164333      5.326291 
1 1 1 25 29 14 o 28.306  4.6383 9.3860   1.8517  23.934  7.1743 32.677  5.8808 -8.743448      9.276552 
1 1 1 25 29 16 o 35.196  3.8361 13.206   1.8623  38.030  5.8763 32.361  4.9326 5.668896       7.672120 
1 1 1 25 29 18 o 31.614  4.3320 11.885   1.8429  25.220  7.3819 38.008  4.5357 -12.78867      8.663993 
1 1 1 25 29 20 o 17.412  5.2029 1.9599   2.1802  18.107  7.6879 16.717  7.0128 1.390430       10.40589 
1 1 1 25 29 22 o 36.210  5.1235 17.069   2.4099  30.152  9.0351 42.267  4.8340 -12.11511      10.24700 
1 1 1 25 29 24 o 25.220  5.9800 9.2042   2.5185  24.711  8.6111 25.729  8.2999 -1.018206      11.95992 
1 1 1 25 30 1  o 63.132  2.4037 40.994   2.1347  61.894  3.6106 64.370  3.1742 -2.475697      4.807490 
1 1 1 25 30 3  o 109.459 2.0008 122.040  3.0964  111.304 2.8109 107.613 2.8480 3.691185       4.001550 
1 1 1 25 30 5  o 56.925  2.5520 33.731   1.9702  54.993  4.1799 58.857  2.9291 -3.864613      5.103978 
1 1 1 25 30 7  o 81.198  2.0710 66.218   2.2520  84.957  3.3820 77.440  2.3911 7.516922       4.141924 
1 1 1 25 30 9  o 100.951 2.3255 105.036  3.3153  102.441 3.3658 99.461  3.2098 2.980064       4.650949 
1 1 1 25 30 11 o 64.276  2.4264 42.739   2.2024  65.549  3.3119 63.003  3.5471 2.545933       4.852888 
1 1 1 25 30 13 o 24.483  4.8954 7.0344   1.8830  19.422  7.1905 29.544  6.6449 -10.12280      9.790712 
1 1 1 25 30 15 o 20.853  5.1035 4.6441   1.8815  25.398  7.7997 16.308  6.5840 9.090073       10.20707 
1 1 1 25 30 17 o 22.576  5.0645 5.9880   2.0253  17.973  7.4903 27.179  6.8185 -9.205967      10.12895 
1 1 1 25 30 19 o 18.506  5.0977 3.0157   2.0746  22.156  7.7250 14.855  6.6536 7.300766       10.19542 
1 1 1 25 30 21 o 15.158  4.9041 -0.6709  2.3429  15.329  7.1773 14.988  6.6849 0.3405533      9.808208 
1 1 1 25 30 23 o 18.614  5.4086 3.3875   2.3349  22.333  8.4840 14.895  6.7105 7.438048       10.81713 
1 1 1 25 31 0  o 23.697  8.7536 8.0452   3.8310  23.697  8.7536 ?       ?      0.000000       0.000000 
1 1 1 25 31 2  o 68.586  2.2379 48.354   2.1690  69.646  3.2088 67.527  3.1203 2.118881       4.475787 
1 1 1 25 31 4  o 70.531  2.0541 50.845   2.0253  71.187  3.1393 69.874  2.6500 1.312576       4.108239 
1 1 1 25 31 6  o 36.659  4.4536 15.937   2.0761  29.823  7.8240 43.494  4.2573 -13.67155      8.907269 
1 1 1 25 31 8  o 41.027  3.8067 18.311   2.0318  40.331  6.4909 41.722  3.9790 -1.391209      7.613439 
1 1 1 25 31 10 o 33.603  4.3723 12.634   1.8475  33.791  7.5599 33.416  4.3948 0.3755569      8.744516 
1 1 1 25 31 12 o 58.615  2.5418 35.851   2.0993  59.814  3.7362 57.416  3.4474 2.398495       5.083693 
1 1 1 25 31 14 o 48.086  3.3985 25.116   2.2968  51.890  4.5528 44.281  5.0468 7.608742       6.796915 
1 1 1 25 31 16 o 13.981  4.5895 -2.6416  2.2329  16.076  7.1350 11.885  5.7746 4.190681       9.179029 
1 1 1 25 31 18 o 18.664  5.2858 3.5756   2.1709  16.678  7.1817 20.651  7.7577 -3.973026      10.57156 
1 1 1 25 31 20 o 16.732  5.1222 1.0586   2.4112  14.240  6.7692 19.223  7.6893 -4.983241      10.24439 
1 1 1 25 32 1  o 16.124  4.8546 1.0991   1.9427  17.440  7.2084 14.808  6.5044 2.631950       9.709203 
1 1 1 25 32 3  o 25.402  5.1700 7.9072   1.9711  23.896  7.7372 26.909  6.8594 -3.013193      10.33996 
1 1 1 25 32 5  o 55.437  2.9746 32.361   2.2951  57.435  4.5579 53.439  3.8235 3.996719       5.949264 
1 1 1 25 32 7  o 53.176  3.1897 30.545   2.2566  51.379  5.3437 54.972  3.4845 -3.592934      6.379454 
1 1 1 25 32 9  o 21.060  5.2850 5.1657   1.9279  22.402  8.0426 19.718  6.8587 2.683907       10.56997 
1 1 1 25 32 11 o 15.829  5.0503 -0.1383  2.1213  19.257  8.3236 12.401  5.7219 6.855954       10.10065 
1 1 1 25 32 13 f 31.283  4.6878 12.156   2.0352  26.884  7.6866 35.682  5.3682 -8.798666      9.375611 
1 1 1 25 32 15 f 21.365  5.7824 5.8261   2.4479  19.332  7.7711 23.397  8.5648 -4.065619      11.56480 
1 1 1 25 32 17 o 18.502  5.4693 3.6369   2.3940  18.727  7.8046 18.278  7.6643 0.4488354      10.93859 
1 1 1 25 33 0  o 40.114  5.2755 17.240   4.2141  40.114  5.2755 ?       ?      0.000000       0.000000 
1 1 1 25 33 2  o 40.895  4.1031 19.478   2.1240  36.216  7.1299 45.575  4.0629 -9.358997      8.206234 
1 1 1 25 33 4  o 23.919  5.4789 7.3109   2.1540  22.189  8.1349 25.649  7.3416 -3.460724      10.95788 
1 1 1 25 33 6  o 21.291  5.4787 5.5960   2.1156  22.450  8.1442 20.133  7.3305 2.317028       10.95740 
1 1 1 25 33 8  o 24.244  6.0836 8.1867   2.5848  24.286  9.1933 24.202  7.9703 0.8395004E-01  12.16724 
1 1 1 25 33 10 o 27.755  6.0324 10.668   2.4917  28.837  9.5263 26.673  7.4033 2.163393       12.06477 
1 1 1 25 33 12 o 24.418  5.4736 8.0725   2.4628  19.455  8.6802 29.381  6.6704 -9.926676      10.94719 
1 1 1 25 33 14 o 48.700  4.3012 28.740   2.9020  53.212  5.2797 44.187  6.7915 9.024719       8.602304 
1 1 1 25 34 1  o 17.390  4.9799 1.9941   2.0707  21.449  7.8045 13.330  6.1876 8.119232       9.959785 
1 1 1 25 34 3  o 30.056  5.5545 12.165   2.4196  34.127  7.6711 25.986  8.0351 8.140932       11.10895 
1 1 1 25 34 5  o 21.487  5.5242 5.9295   2.3193  18.753  8.0259 24.221  7.5930 -5.467184      11.04847 
1 1 1 25 34 7  o 27.027  5.6949 10.339   2.3440  25.445  9.0061 28.609  6.9725 -3.164110      11.38975 
1 1 1 25 34 9  o 47.023  3.7522 25.236   2.4312  48.884  5.8777 45.161  4.6657 3.723259       7.504407 
1 1 1 25 34 11 o 50.470  3.9299 29.465   2.5971  51.054  6.6285 49.886  4.2237 1.167046       7.859811 
1 1 1 25 35 0  o 14.622  8.8779 3.7033   4.7249  14.622  8.8779 ?       ?      0.000000       0.000000 
1 1 1 25 35 2  o 29.783  5.5231 12.549   2.3837  27.006  8.4938 32.560  7.0620 -5.553875      11.04612 
1 1 1 26 1  1  o 192.963 2.3151 373.372  6.2528  194.850 2.9820 191.076 3.5421 3.773788       4.630221 
1 1 1 26 1  3  o 224.506 2.4768 504.567  7.8282  223.855 3.3087 225.156 3.6866 -1.301102      4.953603 
1 1 1 26 1  5  o 239.570 2.1427 573.011  7.1850  243.397 3.2529 235.743 2.7897 7.653809       4.285324 
1 1 1 26 1  7  o 167.531 1.8349 281.126  4.3381  165.659 2.6980 169.403 2.4876 -3.743469      3.669837 
1 1 1 26 1  9  o 170.974 1.7562 292.571  4.2458  170.637 2.5071 171.311 2.4599 -0.6743164     3.512360 
1 1 1 26 1  11 o 253.897 2.1270 645.373  7.6140  254.272 3.1389 253.522 2.8711 0.7498016      4.253935 
1 1 1 26 1  13 o 256.582 2.1672 659.474  7.8349  256.202 3.2149 256.963 2.9072 -0.7610474     4.334489 
1 1 1 26 1  15 o 89.701  1.7730 80.251   2.1892  90.966  2.8077 88.435  2.1660 2.530914       3.546064 
1 1 1 26 1  17 o 115.635 1.7160 134.193  2.7331  114.595 2.7302 116.674 2.0796 -2.079582      3.431994 
1 1 1 26 1  19 o 155.637 1.6568 242.632  3.6294  154.848 2.4740 156.426 2.2042 -1.577103      3.313517 
1 1 1 26 1  21 o 221.163 2.0420 491.352  6.3170  224.332 2.6186 217.994 3.1340 6.337875       4.083989 
1 1 1 26 1  23 f 179.030 1.9966 321.844  5.0369  181.670 2.6711 176.389 2.9683 5.280838       3.993193 
1 1 1 26 1  25 o 88.032  2.0370 77.883   2.5023  88.784  2.5890 87.280  3.1457 1.503960       4.074088 
1 1 1 26 1  27 f 31.082  5.5732 10.399   2.4640  33.697  6.8701 28.468  8.7774 5.229258       11.14634 
1 1 1 26 1  29 f 28.389  4.6062 8.3602   1.9070  21.761  7.1288 35.016  5.8351 -13.25484      9.212399 
1 1 1 26 1  31 o 45.873  3.3513 21.191   2.1240  44.043  4.2043 47.703  5.2201 -3.660725      6.702641 
1 1 1 26 1  33 o 48.645  2.4418 24.155   1.6503  50.662  3.0248 46.629  3.8342 4.033184       4.883659 
1 1 1 26 1  35 o 29.811  4.9136 9.8968   2.0432  27.242  7.3359 32.381  6.5390 -5.139130      9.827211 
1 1 1 26 1  37 o 16.803  4.9428 1.3566   1.9427  16.857  6.8989 16.749  7.0801 0.1086559      9.885508 
1 1 1 26 1  39 o 27.806  5.1272 9.1206   2.0253  29.917  7.4817 25.695  7.0125 4.222025       10.25432 
1 1 1 26 1  41 o 20.546  5.4963 4.4954   2.1913  22.490  8.1456 18.602  7.3815 3.888369       10.99263 
1 1 1 26 1  43 o 18.398  4.8075 2.9927   1.9464  22.436  6.9629 14.360  6.6307 8.076348       9.615013 
1 1 1 26 1  45 o 19.154  5.4943 4.3702   2.1851  16.496  6.7697 21.813  8.6557 -5.316896      10.98856 
1 1 1 26 2  0  f 225.084 2.8377 507.100  12.770  225.084 2.8377 ?       ?      0.000000       0.000000 
1 1 1 26 2  2  f 145.908 1.5936 212.737  3.2806  143.571 2.1792 148.245 2.3258 -4.674210      3.187215 
1 1 1 26 2  4  o 197.186 1.9010 389.232  5.2996  194.401 2.7261 199.971 2.6502 -5.569489      3.801995 
1 1 1 26 2  6  o 228.716 2.0858 523.990  6.7240  227.226 3.0910 230.206 2.8014 -2.980438      4.171559 
1 1 1 26 2  8  o 299.453 2.3697 898.758  10.021  294.988 3.4632 303.918 3.2354 -8.929657      4.739374 
1 1 1 26 2  10 o 274.783 2.4167 755.819  9.3647  272.934 3.2752 276.633 3.5545 -3.699005      4.833366 
1 1 1 26 2  12 f 112.404 1.7883 126.326  2.8324  111.132 2.4131 113.676 2.6399 -2.543800      3.576620 
1 1 1 26 2  14 o 121.560 1.6554 147.685  2.8238  120.231 2.1774 122.890 2.4940 -2.658875      3.310710 
1 1 1 26 2  16 o 180.141 1.8331 325.287  4.6532  178.181 2.7234 182.100 2.4544 -3.919617      3.666244 
1 1 1 26 2  18 o 127.118 2.0917 159.048  3.3691  123.061 2.1273 131.174 3.6020 -8.112778      4.183306 
1 1 1 26 2  20 o 90.341  2.4707 81.328   2.5485  89.650  2.0654 91.031  4.4890 -1.381660      4.941406 
1 1 1 26 2  22 o 149.970 2.0608 223.399  3.9174  147.457 2.0785 152.483 3.5593 -5.026581      4.121694 
1 1 1 26 2  24 o 87.962  1.7368 77.892   2.1156  89.688  2.1357 86.236  2.7396 3.452873       3.473691 
1 1 1 26 2  26 o 25.217  4.5877 6.5850   1.6770  29.898  6.3812 20.537  6.5932 9.361170       9.175492 
1 1 1 26 2  28 o 26.140  4.9034 7.0884   2.0108  19.785  7.5014 32.495  6.3168 -12.70958      9.806750 
1 1 1 26 2  30 o 35.015  3.6109 12.419   1.7673  33.811  4.7211 36.219  5.4650 -2.407932      7.221836 
1 1 1 26 2  32 o 20.328  4.7415 3.5665   1.7855  15.613  6.6750 25.044  6.7359 -9.431574      9.483030 
1 1 1 26 2  34 o 40.046  3.7294 16.524   1.9921  39.839  4.1671 40.254  6.1862 -0.4151611     7.458800 
1 1 1 26 2  36 o 22.374  5.0453 5.4457   1.8701  19.799  7.5029 24.950  6.7474 -5.151356      10.09060 
1 1 1 26 2  38 o 23.111  5.2697 5.8491   2.0993  19.257  7.6949 26.965  7.2020 -7.708076      10.53944 
1 1 1 26 2  40 o 21.117  5.3521 4.5334   2.1709  17.281  7.3012 24.953  7.8275 -7.672096      10.70413 
1 1 1 26 2  42 o 17.219  5.0082 1.7479   2.0352  14.116  6.3769 20.321  7.7242 -6.205403      10.01641 
1 1 1 26 2  44 o 13.705  4.4107 -0.5260  1.8398  13.061  5.8648 14.349  6.5895 -1.288020      8.821448 
1 1 1 26 3  1  o 120.081 1.5792 144.197  2.6802  117.132 2.2350 123.031 2.2316 -5.898865      3.158354 
1 1 1 26 3  3  o 80.669  1.8044 65.451   2.0352  78.093  2.7799 83.245  2.3010 -5.152527      3.608704 
1 1 1 26 3  5  o 191.644 1.7797 367.726  4.8205  188.678 2.5719 194.610 2.4607 -5.932480      3.559475 
1 1 1 26 3  7  o 213.485 1.9142 456.242  5.7783  212.183 2.7384 214.787 2.6755 -2.604324      3.828429 
1 1 1 26 3  9  o 272.352 2.2641 743.051  8.7127  270.188 3.2848 274.516 3.1167 -4.327637      4.528158 
1 1 1 26 3  11 o 267.912 2.1780 718.737  8.2050  267.973 3.2643 267.852 2.8844 0.1209717      4.356097 
1 1 1 26 3  13 o 241.746 2.1165 586.373  7.2010  237.688 3.1699 245.804 2.8054 -8.116287      4.233014 
1 1 1 26 3  15 f 78.002  1.6508 61.073   1.7308  77.414  2.7218 78.590  1.8686 -1.175560      3.301517 
1 1 1 26 3  17 o 110.071 1.7095 121.108  2.6186  109.215 2.1631 110.926 2.6478 -1.710434      3.419078 
1 1 1 26 3  19 o 170.500 1.8870 290.387  4.3817  169.155 2.2271 171.845 3.0468 -2.689941      3.773934 
1 1 1 26 3  21 o 83.868  1.9740 70.491   2.3091  83.886  2.5118 83.851  3.0459 0.3438568E-01  3.948007 
1 1 1 26 3  23 o 89.015  1.8314 79.387   2.2827  88.746  2.3743 89.284  2.7890 -0.5381393     3.662756 
1 1 1 26 3  25 o 182.962 1.9851 336.437  5.0689  184.639 2.5244 181.285 3.0642 3.353577       3.970169 
1 1 1 26 3  27 o 159.911 1.7942 256.579  4.0522  161.140 2.4567 158.682 2.6155 2.457947       3.588314 
1 1 1 26 3  29 o 25.025  4.6819 6.4586   1.8830  31.885  6.0269 18.165  7.1663 13.72071       9.363752 
1 1 1 26 3  31 o 64.984  2.2594 42.495   2.0707  61.324  3.2277 68.643  3.1626 -7.319145      4.518876 
1 1 1 26 3  33 o 84.822  1.9964 72.602   2.3940  85.020  2.7787 84.623  2.8672 0.3968124      3.992744 
1 1 1 26 3  35 o 46.626  3.0685 22.457   1.9986  45.897  4.7299 47.355  3.9102 -1.457798      6.136903 
1 1 1 26 3  37 o 29.513  4.7568 9.9502   1.9427  27.588  7.2939 31.437  6.1080 -3.849182      9.513602 
1 1 1 26 3  39 o 19.229  5.1205 3.4814   1.9427  16.552  6.8531 21.905  7.6100 -5.352716      10.24096 
1 1 1 26 3  41 o 29.563  5.1444 10.662   2.1385  29.594  7.3579 29.531  7.1919 0.6227303E-01  10.28889 
1 1 1 26 3  43 o 20.886  5.7332 5.0250   2.5524  24.420  8.6013 17.351  7.5828 7.068274       11.46647 
1 1 1 26 4  0  o 33.011  3.3505 11.238   2.1709  33.011  3.3505 ?       ?      0.000000       0.000000 
1 1 1 26 4  2  o 199.179 1.9384 397.087  5.4575  199.198 2.6925 199.160 2.7892 0.3845215E-01  3.876766 
1 1 1 26 4  4  o 66.513  1.5959 44.013   1.4835  68.620  2.4193 64.405  2.0819 4.214844       3.191755 
1 1 1 26 4  6  f 170.947 1.7570 292.546  4.2458  169.097 2.5299 172.797 2.4388 -3.699799      3.513969 
1 1 1 26 4  8  o 85.471  1.6815 73.136   1.9702  85.350  2.6932 85.592  2.0142 -0.2424164     3.363039 
1 1 1 26 4  10 o 250.051 2.0386 627.128  7.1592  246.536 3.0820 253.566 2.6692 -7.030624      4.077156 
1 1 1 26 4  12 o 159.663 1.6549 254.439  3.7131  163.051 2.4671 156.275 2.2063 6.775757       3.309724 
1 1 1 26 4  14 o 127.611 1.6314 162.422  2.9024  125.274 2.0897 129.948 2.5059 -4.674156      3.262884 
1 1 1 26 4  16 o 86.988  1.7206 75.957   2.0993  88.573  2.2347 85.403  2.6167 3.169586       3.441109 
1 1 1 26 4  18 o 123.405 1.7893 153.078  3.0701  125.774 2.2337 121.037 2.7959 4.737289       3.578623 
1 1 1 26 4  20 o 138.042 1.7236 191.154  3.2416  138.791 2.0242 137.294 2.7904 1.496185       3.447264 
1 1 1 26 4  22 o 190.093 1.8550 363.631  4.9136  194.144 2.3351 186.043 2.8829 8.100754       3.709944 
1 1 1 26 4  24 o 144.719 1.7703 210.419  3.5937  147.057 2.3012 142.380 2.6907 4.676529       3.540535 
1 1 1 26 4  26 o 33.431  3.7729 11.708   1.6770  36.115  4.2432 30.747  6.2396 5.367603       7.545707 
1 1 1 26 4  28 o 15.736  4.6681 0.4528   1.7553  15.969  6.6121 15.502  6.5911 0.4667549      9.336118 
1 1 1 26 4  30 o 80.851  2.2351 65.693   2.5476  76.024  3.1915 85.678  3.1300 -9.653999      4.470219 
1 1 1 26 4  32 o 89.839  1.7611 81.269   2.2329  90.850  2.3896 88.828  2.5877 2.021591       3.522248 
1 1 1 26 4  34 o 38.684  4.0667 16.067   2.1051  33.926  6.6356 43.443  4.7033 -9.516296      8.133343 
1 1 1 26 4  36 o 16.286  5.0035 -0.2189  2.1892  16.964  6.9921 15.607  7.1588 1.356932       10.00693 
1 1 1 26 4  38 o 19.144  5.2105 2.1439   2.2555  23.073  7.7392 15.216  6.9786 7.856984       10.42093 
1 1 1 26 4  40 o 25.762  5.7111 7.9622   2.4545  20.639  8.0027 30.884  8.1500 -10.24498      11.42216 
1 1 1 26 4  42 o 13.979  4.5160 -2.6915  2.0629  17.387  7.3799 10.571  5.2070 6.815574       9.031964 
1 1 1 26 4  44 o 17.266  4.8865 3.1455   1.8057  17.251  7.1086 17.280  6.7067 -0.2847481E-01 9.773057 
1 1 1 26 5  1  o 59.242  1.5254 35.099   1.2738  59.564  2.2511 58.920  2.0590 0.6432114      3.050741 
1 1 1 26 5  3  o 133.035 1.6714 177.635  3.1169  130.269 2.5487 135.800 2.1628 -5.530991      3.342732 
1 1 1 26 5  5  o 172.800 1.7505 298.774  4.2770  170.677 2.4691 174.923 2.4821 -4.245163      3.501044 
1 1 1 26 5  7  o 126.587 1.5536 159.196  2.7331  130.713 2.3935 122.462 1.9813 8.251266       3.107175 
1 1 1 26 5  9  o 55.235  1.9668 29.903   1.4659  58.460  3.1674 52.011  2.3325 6.448322       3.933584 
1 1 1 26 5  11 o 25.285  3.4306 6.9810   1.1174  29.443  3.2530 21.127  6.0411 8.315882       6.861211 
1 1 1 26 5  13 o 142.617 1.5985 204.133  3.1465  144.133 1.9492 141.100 2.5341 3.033051       3.197034 
1 1 1 26 5  15 o 129.205 1.6671 167.788  2.9344  130.858 1.9518 127.552 2.7031 3.305351       3.334118 
1 1 1 26 5  17 o 85.491  1.6789 73.100   1.9702  85.206  2.0233 85.776  2.6798 -0.5698166     3.357817 
1 1 1 26 5  19 o 77.646  1.9073 61.135   1.9933  80.421  2.1437 74.872  3.1553 5.548775       3.814647 
1 1 1 26 5  21 o 93.292  1.7295 88.095   2.1892  96.361  1.9879 90.223  2.8308 6.138161       3.459044 
1 1 1 26 5  23 o 107.631 1.6411 116.296  2.3882  108.260 1.8873 107.002 2.6852 1.257202       3.282152 
1 1 1 26 5  25 o 103.857 1.6555 108.290  2.4263  107.792 2.2509 99.923  2.4282 7.869316       3.311015 
1 1 1 26 5  27 o 83.263  1.9075 69.779   2.2275  85.196  2.4732 81.330  2.9048 3.866104       3.815047 
1 1 1 26 5  29 o 85.661  1.8499 73.875   2.2348  89.350  2.5011 81.971  2.7263 7.379341       3.699766 
1 1 1 26 5  31 o 21.870  4.8020 4.9681   1.6380  22.433  6.2929 21.308  7.2550 1.124990       9.603920 
1 1 1 26 5  33 o 42.706  2.9793 18.653   1.7855  46.561  3.9769 38.851  4.4374 7.710236       5.958696 
1 1 1 26 5  35 o 21.702  5.1124 5.0442   1.8517  23.011  7.2313 20.394  7.2287 2.616907       10.22474 
1 1 1 26 5  37 o 18.809  4.9689 3.0560   1.8495  21.774  7.3790 15.844  6.6565 5.930584       9.937784 
1 1 1 26 5  39 o 19.738  5.1245 4.0475   1.8787  18.516  7.0179 20.960  7.4693 -2.443369      10.24901 
1 1 1 26 5  41 o 25.484  5.1136 7.9705   2.0746  20.166  7.6259 30.802  6.8147 -10.63659      10.22714 
1 1 1 26 5  43 o 22.978  5.5618 7.0043   2.2321  24.773  7.1041 21.182  8.5596 3.590830       11.12361 
1 1 1 26 6  0  o 617.411 5.6786 3820.94  70.108  617.411 5.6786 ?       ?      0.000000       0.000000 
1 1 1 26 6  2  o 427.894 3.0068 1833.88  18.179  420.935 4.1866 434.853 4.3169 -13.91785      6.013538 
1 1 1 26 6  4  o 102.207 1.4454 104.626  2.0511  101.732 2.2595 102.682 1.8033 -0.9491653     2.890867 
1 1 1 26 6  6  o 88.949  1.4506 79.269   1.8147  87.941  2.1782 89.957  1.9164 -2.015282      2.901237 
1 1 1 26 6  8  o 58.323  1.5171 34.168   1.2443  60.733  1.9975 55.914  2.2839 4.818924       3.034190 
1 1 1 26 6  10 o 218.894 2.0092 479.612  6.0410  218.671 2.4235 219.118 3.2054 -0.4467621     4.018458 
1 1 1 26 6  12 o 242.810 2.0394 589.282  6.8449  240.821 2.5188 244.798 3.2082 -3.977295      4.078829 
1 1 1 26 6  14 o 103.610 1.6721 106.677  2.3440  101.413 1.9518 105.807 2.7156 -4.393715      3.344231 
1 1 1 26 6  16 o 132.932 1.7182 176.862  3.0184  132.846 1.8745 133.019 2.8801 -0.1729889     3.436345 
1 1 1 26 6  18 o 103.998 1.5885 108.033  2.3091  102.719 2.0513 105.276 2.4260 -2.556908      3.177002 
1 1 1 26 6  20 o 22.191  4.2464 5.1080   1.4047  18.979  6.3190 25.403  5.6743 -6.423893      8.492819 
1 1 1 26 6  22 o 68.072  2.0839 46.504   1.9279  68.199  2.4342 67.944  3.3831 0.2547226      4.167812 
1 1 1 26 6  24 o 94.789  1.9537 90.452   2.5383  95.976  2.3285 93.603  3.1379 2.372658       3.907418 
1 1 1 26 6  26 f 45.021  2.8114 20.432   1.7878  46.297  3.8616 43.744  4.0870 2.552837       5.622747 
1 1 1 26 6  28 o 61.359  2.3187 37.895   2.0108  59.701  3.3155 63.018  3.2423 -3.316990      4.637318 
1 1 1 26 6  30 o 36.461  3.9552 13.836   1.9344  43.368  4.8585 29.554  6.2426 13.81443       7.910495 
1 1 1 26 6  32 o 35.567  3.3671 12.951   1.6866  35.347  4.5159 35.787  4.9957 -0.4399261     6.734279 
1 1 1 26 6  34 o 29.641  4.4710 9.5820   1.8495  33.218  5.3820 26.064  7.1409 7.153769       8.941929 
1 1 1 26 6  36 o 46.486  3.2885 23.171   2.0511  51.090  3.6243 41.883  5.4882 9.207119       6.576983 
1 1 1 26 6  38 o 38.521  4.5155 16.670   2.3349  40.078  5.2575 36.965  7.3428 3.112064       9.030947 
1 1 1 26 6  40 o 20.483  5.5237 4.4257   2.2329  19.698  7.8252 21.267  7.7980 -1.569311      11.04733 
1 1 1 26 6  42 o 18.017  5.2084 2.9874   2.1051  17.419  7.2046 18.616  7.5235 -1.196362      10.41680 
1 1 1 26 6  44 f 15.847  4.9192 1.1643   2.1634  14.988  6.8398 16.706  7.0720 -1.718077      9.838465 
1 1 1 26 7  1  o 332.981 2.8496 1110.59  13.183  333.717 4.4389 332.245 3.5745 1.471710       5.699209 
1 1 1 26 7  3  o 229.705 2.3984 528.547  7.7892  228.187 3.4417 231.223 3.3413 -3.035721      4.796875 
1 1 1 26 7  5  f 120.425 1.6296 144.832  2.5781  119.887 1.7575 120.963 2.7448 -1.075623      3.259295 
1 1 1 26 7  7  o 117.056 1.3533 136.509  2.2056  114.663 1.7263 119.449 2.0847 -4.786011      2.706656 
1 1 1 26 7  9  o 88.472  1.4500 78.682   1.7513  89.816  1.7062 87.128  2.3451 2.687218       2.900059 
1 1 1 26 7  11 o 220.183 1.9999 486.633  6.0582  222.067 2.4152 218.298 3.1882 3.768723       3.999711 
1 1 1 26 7  13 o 92.130  1.7340 85.049   2.1892  92.389  2.0733 91.872  2.7800 0.5169601      3.467995 
1 1 1 26 7  15 o 78.145  2.5821 59.665   2.6832  73.254  2.9636 83.036  4.2292 -9.782257      5.164198 
1 1 1 26 7  17 o 139.490 1.6534 194.281  3.1331  138.394 1.9377 140.585 2.6796 -2.190826      3.306859 
1 1 1 26 7  19 o 72.212  1.6321 52.357   1.6601  75.926  2.1865 68.498  2.4236 7.427353       3.264125 
1 1 1 26 7  21 o 46.154  2.2888 21.520   1.4658  52.442  2.9221 39.867  3.5235 12.57487       4.577551 
1 1 1 26 7  23 o 23.675  4.1422 5.7297   1.6432  31.025  4.5276 16.325  6.9378 14.70076       8.284495 
1 1 1 26 7  25 o 39.405  3.1683 15.426   1.6857  37.696  3.7264 41.114  5.1249 -3.417912      6.336500 
1 1 1 26 7  27 o 59.014  2.8154 35.217   2.2117  59.538  3.1100 58.490  4.6941 1.048649       5.630885 
1 1 1 26 7  29 o 63.455  1.8905 40.517   1.6866  63.977  2.4950 62.933  2.8408 1.044029       3.780922 
1 1 1 26 7  31 o 45.776  3.7077 21.549   2.3003  46.179  4.2863 45.373  6.0512 0.8062515      7.415439 
1 1 1 26 7  33 o 37.374  3.9537 14.302   1.9921  35.959  4.6167 38.789  6.4198 -2.830383      7.907457 
1 1 1 26 7  35 o 29.025  4.7523 9.4861   1.9134  27.729  6.7351 30.322  6.7064 -2.593794      9.504616 
1 1 1 26 7  37 o 63.227  2.5734 41.618   2.2626  67.850  3.1996 58.603  4.0313 9.246906       5.146701 
1 1 1 26 7  39 o 48.749  3.0132 25.281   2.0412  52.887  3.7426 44.610  4.7233 8.277122       6.026320 
1 1 1 26 7  41 f 20.628  5.1801 4.9484   1.8964  20.983  7.0004 20.272  7.6373 0.7119350      10.36018 
1 1 1 26 7  43 o 21.476  5.8375 6.1119   2.5217  23.076  8.4584 19.876  8.0474 3.200672       11.67505 
1 1 1 26 8  0  o 359.878 5.4852 1298.72  39.460  359.878 5.4852 ?       ?      0.000000       0.000000 
1 1 1 26 8  2  o 313.535 2.6424 984.948  11.716  312.987 3.7333 314.083 3.7406 -1.096436      5.284800 
1 1 1 26 8  4  o 299.677 2.7445 897.597  11.542  305.079 4.1230 294.276 3.6235 10.80313       5.489004 
1 1 1 26 8  6  o 269.731 2.2540 728.668  8.5678  269.774 3.0295 269.687 3.3383 0.8724976E-01  4.508005 
1 1 1 26 8  8  o 201.538 1.9687 404.891  5.4904  197.867 2.4525 205.210 3.0803 -7.343872      3.937410 
1 1 1 26 8  10 o 81.456  1.4363 66.450   1.5775  81.624  1.6427 81.288  2.3564 0.3358536      2.872522 
1 1 1 26 8  12 o 70.688  1.5838 50.345   1.5480  72.683  1.9327 68.694  2.5096 3.988930       3.167566 
1 1 1 26 8  14 o 66.803  1.8514 44.577   1.6648  66.343  2.1173 67.264  3.0376 -0.9203568     3.702734 
1 1 1 26 8  16 o 114.936 1.6766 131.687  2.6682  112.898 2.0926 116.975 2.6201 -4.077080      3.353147 
1 1 1 26 8  18 o 18.828  4.5573 3.1870   1.4436  16.579  5.9903 21.077  6.8695 -4.498661      9.114512 
1 1 1 26 8  20 o 72.378  2.5408 53.704   2.2754  75.057  2.3819 69.699  4.4888 5.358162       5.081637 
1 1 1 26 8  22 o 137.537 1.7166 190.473  3.2186  139.670 2.0115 135.403 2.7822 4.266785       3.433162 
1 1 1 26 8  24 o 88.836  1.8387 79.281   2.2827  89.578  2.3522 88.094  2.8267 1.484222       3.677397 
1 1 1 26 8  26 o 41.619  3.2033 17.504   1.8830  42.240  4.3837 40.999  4.6721 1.241112       6.406646 
1 1 1 26 8  28 o 46.355  2.8402 22.094   1.8057  49.569  3.3491 43.141  4.5882 6.428417       5.680445 
1 1 1 26 8  30 o 29.516  4.6295 9.3481   1.8701  28.885  6.1515 30.147  6.9201 -1.261808      9.258986 
1 1 1 26 8  32 o 77.278  2.2195 60.315   2.4196  79.089  3.2293 75.468  3.0458 3.621048       4.439085 
1 1 1 26 8  34 o 17.300  4.8028 2.1059   1.7507  18.507  6.8159 16.093  6.7684 2.414242       9.605638 
1 1 1 26 8  36 o 29.770  5.0347 10.321   2.0897  31.873  6.2321 27.667  7.9091 4.205935       10.06938 
1 1 1 26 8  38 o 28.590  4.6825 9.5018   1.8787  24.184  6.9953 32.996  6.2263 -8.811623      9.364934 
1 1 1 26 8  40 o 18.264  4.9419 2.4689   2.0067  14.431  6.5758 22.098  7.3790 -7.666480      9.883900 
1 1 1 26 8  42 o 19.049  5.4786 3.6464   2.3556  16.598  7.2185 21.500  8.2433 -4.901634      10.95712 
1 1 1 26 9  1  o 384.255 4.2955 1484.71  23.332  385.375 5.9646 383.135 6.1828 2.239899       8.590928 
1 1 1 26 9  3  o 305.879 3.0584 925.458  11.503  299.215 2.9235 312.543 5.3729 -13.32843      6.116776 
1 1 1 26 9  5  o 159.113 2.0972 254.566  4.2918  160.470 2.1486 157.757 3.6022 2.713058       4.194324 
1 1 1 26 9  7  o 308.184 2.6815 952.320  11.681  307.632 3.8605 308.736 3.7226 -1.103851      5.362978 
1 1 1 26 9  9  o 167.407 1.6333 280.003  3.7448  166.327 1.9578 168.487 2.6148 -2.160248      3.266570 
1 1 1 26 9  11 o 131.256 1.5802 172.360  2.8459  131.007 1.9008 131.504 2.5248 -0.4968719     3.160324 
1 1 1 26 9  13 o 179.712 1.7704 321.493  4.3592  176.143 2.1387 183.281 2.8218 -7.137543      3.540736 
1 1 1 26 9  15 o 121.295 1.6369 147.715  2.7331  122.654 1.9782 119.937 2.6086 2.717361       3.273841 
1 1 1 26 9  17 o 58.218  3.3101 33.530   2.0271  57.244  2.4539 59.191  6.1487 -1.947166      6.620247 
1 1 1 26 9  19 o 55.108  2.2389 30.954   1.6432  57.455  2.4449 52.762  3.7515 4.692055       4.477839 
1 1 1 26 9  21 o 89.226  1.7391 80.099   2.1409  90.609  2.1140 87.843  2.7621 2.766243       3.478265 
1 1 1 26 9  23 o 54.404  2.2685 29.910   1.7027  55.723  2.7501 53.085  3.6084 2.638226       4.536909 
1 1 1 26 9  25 o 110.820 1.7747 123.136  2.6728  110.785 2.0749 110.855 2.8799 -0.7076263E-01 3.549480 
1 1 1 26 9  27 o 68.687  2.0064 47.419   1.9427  68.380  2.7079 68.993  2.9615 -0.6133804     4.012856 
1 1 1 26 9  29 o 26.157  4.3704 7.3566   1.6276  30.709  5.6148 21.605  6.6991 9.103699       8.740867 
1 1 1 26 9  31 o 31.186  5.4867 10.673   2.4112  27.870  7.7448 34.502  7.7739 -6.631899      10.97341 
1 1 1 26 9  33 o 43.858  3.0883 19.794   1.9155  43.858  4.3676 43.858  4.3676 0.000000       6.176676 
1 1 1 26 9  35 f 57.143  2.7256 34.006   2.1634  60.654  3.3686 53.633  4.2858 7.021145       5.451254 
1 1 1 26 9  37 o 42.967  3.3696 19.800   2.0067  39.578  5.3239 46.357  4.1321 -6.779362      6.739274 
1 1 1 26 9  39 o 35.727  4.4023 14.505   2.1690  38.375  5.8235 33.079  6.6036 5.295925       8.804597 
1 1 1 26 9  41 o 28.764  5.1473 10.471   2.1071  30.812  6.9965 26.716  7.5518 4.096748       10.29469 
1 1 1 26 9  43 o 13.655  4.5690 -3.2933  2.4196  14.829  6.7974 12.482  6.1073 2.346881       9.138062 
1 1 1 26 10 0  o 164.751 3.9582 272.258  13.025  164.751 3.9582 ?       ?      0.000000       0.000000 
1 1 1 26 10 2  o 150.365 2.5413 226.476  5.3725  151.001 3.8056 149.729 3.3689 1.272873       5.082532 
1 1 1 26 10 4  o 46.897  5.8362 23.046   3.6857  42.591  9.5341 51.203  6.7338 -8.611828      11.67237 
1 1 1 26 10 6  o 144.836 2.3883 206.349  4.0235  141.174 2.0805 148.498 4.2998 -7.323715      4.776642 
1 1 1 26 10 8  o 145.837 2.3097 207.887  4.0430  140.444 2.1368 151.231 4.0954 -10.78697      4.619314 
1 1 1 26 10 10 o 52.568  3.4466 27.615   1.7240  52.371  2.1945 52.765  6.5345 -0.3939209     6.893113 
1 1 1 26 10 12 o 159.835 2.1569 256.411  4.1428  160.347 1.9512 159.324 3.8473 1.022598       4.313783 
1 1 1 26 10 14 o 238.906 2.0100 572.337  6.6417  240.048 2.4737 237.764 3.1688 2.283813       4.020046 
1 1 1 26 10 16 o 247.810 2.1538 616.851  7.3477  249.880 2.6063 245.740 3.4298 4.140564       4.307698 
1 1 1 26 10 18 o 203.426 1.8796 413.127  5.2350  200.781 2.2579 206.071 3.0055 -5.289505      3.759141 
1 1 1 26 10 20 o 112.051 1.7710 125.889  2.6253  112.189 1.9350 111.913 2.9668 0.2760773      3.542057 
1 1 1 26 10 22 o 123.344 1.7097 152.572  2.8483  123.477 1.9650 123.211 2.7984 0.2651443      3.419383 
1 1 1 26 10 24 o 48.125  2.9308 24.094   1.7921  51.318  2.8617 44.933  5.1157 6.384869       5.861689 
1 1 1 26 10 26 o 30.923  4.3998 10.298   1.8164  34.416  4.6382 27.431  7.4779 6.984770       8.799539 
1 1 1 26 10 28 o 61.588  2.4229 38.032   2.0761  59.789  3.0970 63.387  3.7270 -3.597733      4.845832 
1 1 1 26 10 30 o 40.266  3.3822 16.601   1.8964  40.361  4.2713 40.171  5.2453 0.1905823      6.764408 
1 1 1 26 10 32 o 49.539  2.9164 25.093   2.0432  49.475  4.1298 49.604  4.1191 -0.1288948     5.832829 
1 1 1 26 10 34 o 16.728  4.9750 0.6223   1.9256  12.756  5.7885 20.701  8.0928 -7.945150      9.949905 
1 1 1 26 10 36 o 19.939  5.4455 2.9388   2.3440  22.236  7.5010 17.642  7.8962 4.593945       10.89108 
1 1 1 26 10 38 o 25.595  5.3879 7.5947   2.2915  19.039  7.5917 32.152  7.6475 -13.11289      10.77584 
1 1 1 26 10 40 o 17.712  5.3337 0.6385   2.3188  12.377  5.8415 23.047  8.9258 -10.67017      10.66735 
1 1 1 26 10 42 o 18.858  5.0026 3.4949   2.0789  22.196  6.9779 15.520  7.1702 6.676103       10.00515 
1 1 1 26 11 1  o 167.193 3.0382 280.491  7.1819  170.145 4.2781 164.241 4.3152 5.903427       6.076468 
1 1 1 26 11 3  o 58.327  5.2984 34.684   4.3097  52.420  8.1609 64.234  6.7594 -11.81347      10.59673 
1 1 1 26 11 5  o 85.703  3.5281 72.746   4.0711  89.045  5.7365 82.362  4.1088 6.682945       7.056142 
1 1 1 26 11 7  o 125.088 2.4539 157.243  4.2699  126.623 3.0760 123.552 3.8242 3.070824       4.907788 
1 1 1 26 11 9  o 81.901  2.5305 66.184   2.3779  80.185  2.1500 83.617  4.5816 -3.431435      5.061016 
1 1 1 26 11 11 o 58.238  2.7382 30.725   1.3281  53.231  1.5593 63.245  5.2498 -10.01383      5.476482 
1 1 1 26 11 13 o 77.021  2.3912 61.871   1.8446  80.443  1.5875 73.599  4.5112 6.843292       4.782383 
1 1 1 26 11 15 o 187.681 2.1311 347.468  4.7955  183.277 1.9509 192.084 3.7895 -8.806824      4.262176 
1 1 1 26 11 17 o 82.059  2.2299 67.395   1.9853  81.919  1.7148 82.199  4.1169 -0.2805939     4.459742 
1 1 1 26 11 19 o 147.575 1.9489 222.219  3.4862  151.818 1.7664 143.333 3.4747 8.485794       3.897886 
1 1 1 26 11 21 o 187.147 2.2984 351.858  5.0648  187.400 2.0102 186.894 4.1338 0.5055542      4.596706 
1 1 1 26 11 23 o 72.746  2.3437 53.324   2.0840  73.155  2.1820 72.336  4.1486 0.8188705      4.687465 
1 1 1 26 11 25 o 55.464  3.5848 31.760   2.0271  56.852  2.4708 54.075  6.7304 2.776669       7.169577 
1 1 1 26 11 27 o 66.867  2.5472 45.165   1.9857  67.116  2.1881 66.618  4.6006 0.4979553      5.094417 
1 1 1 26 11 29 o 47.399  3.8213 23.518   2.0708  49.021  3.1260 45.777  6.9740 3.243908       7.642599 
1 1 1 26 11 31 o 42.944  3.6737 17.673   1.8655  38.524  3.4806 47.365  6.4707 -8.840786      7.347424 
1 1 1 26 11 33 o 25.107  5.4923 7.0724   2.0789  24.499  6.8006 25.715  8.6264 -1.216358      10.98466 
1 1 1 26 11 35 o 15.025  4.7098 -0.5273  1.9608  13.601  6.1517 16.448  7.1334 -2.846752      9.419563 
1 1 1 26 11 37 o 17.949  5.0685 2.6210   1.7962  16.172  6.1939 19.726  8.0246 -3.554237      10.13703 
1 1 1 26 11 39 o 17.634  5.1492 2.4067   1.9646  15.899  6.4407 19.370  8.0358 -3.470797      10.29840 
1 1 1 26 11 41 o 18.601  5.0687 3.8938   1.8701  17.425  6.8198 19.776  7.5004 -2.350592      10.13731 
1 1 1 26 12 0  o 107.084 4.3082 115.442  9.1945  107.084 4.3082 ?       ?      0.000000       0.000000 
1 1 1 26 12 2  o 90.695  3.1119 82.365   3.9700  92.641  4.6178 88.750  4.1728 3.890594       6.223850 
1 1 1 26 12 4  o 52.221  4.8986 27.557   3.6050  55.447  6.6790 48.995  7.1676 6.452564       9.797146 
1 1 1 26 12 6  o 172.960 2.2593 298.082  4.7796  171.446 2.1228 174.475 3.9889 -3.029175      4.518620 
1 1 1 26 12 8  o 215.699 2.6125 465.941  7.4082  215.121 2.8197 216.277 4.3989 -1.155640      5.225016 
1 1 1 26 12 10 o 281.153 2.7886 794.951  10.348  283.020 3.0231 279.286 4.6867 3.733826       5.577126 
1 1 1 26 12 12 o 140.407 2.2599 189.952  3.1444  134.766 1.5635 146.048 4.2407 -11.28195      4.519756 
1 1 1 26 12 14 o 169.672 2.1630 288.421  4.2534  169.656 1.8441 169.687 3.9133 -0.3129578E-01 4.326087 
1 1 1 26 12 16 o 99.338  2.3853 102.067  2.4576  102.905 1.6753 95.772  4.4668 7.132301       4.770655 
1 1 1 26 12 18 o 100.489 1.9782 103.009  2.3126  103.022 1.6734 97.956  3.5851 5.066399       3.956364 
1 1 1 26 12 20 o 136.315 2.1383 190.232  3.5924  141.019 1.9922 131.611 3.7841 9.408295       4.276522 
1 1 1 26 12 22 o 82.640  2.4791 69.820   2.2309  84.495  1.8892 80.784  4.5843 3.711792       4.958260 
1 1 1 26 12 24 o 69.446  2.5108 49.420   2.0432  71.380  2.1468 67.513  4.5396 3.866501       5.021646 
1 1 1 26 12 26 o 78.316  2.9512 62.957   2.4469  79.929  2.1569 76.702  5.4941 3.226173       5.902332 
1 1 1 26 12 28 o 46.431  4.5207 23.759   2.2412  50.403  3.2937 42.458  8.4201 7.945404       9.041385 
1 1 1 26 12 30 o 55.652  3.0593 31.070   2.0992  54.140  2.9484 57.164  5.3614 -3.024689      6.118649 
1 1 1 26 12 32 o 24.860  5.7534 6.7107   2.3242  26.518  6.7284 23.203  9.3345 3.314646       11.50671 
1 1 1 26 12 34 o 26.602  5.7388 8.0037   2.1899  23.867  6.8582 29.337  9.2032 -5.470560      11.47750 
1 1 1 26 12 36 o 29.196  5.4192 10.354   2.2348  30.482  6.4789 27.910  8.6888 2.571964       10.83842 
1 1 1 26 12 38 o 21.989  5.3470 5.5203   2.0870  24.051  6.6725 19.927  8.3570 4.123709       10.69402 
1 1 1 26 12 40 o 23.253  5.8085 7.2364   2.4099  24.513  7.5748 21.994  8.8079 2.519350       11.61703 
1 1 1 26 12 42 o 19.733  5.4045 4.2829   2.4492  23.400  7.8556 16.066  7.4246 7.334173       10.80902 
1 1 1 26 13 1  o 150.328 2.7419 227.104  5.8097  158.414 3.7082 142.242 4.0400 16.17192       5.483773 
1 1 1 26 13 3  o 149.652 2.7454 224.690  5.8104  149.460 3.8876 149.844 3.8776 -0.3839874     5.490824 
1 1 1 26 13 5  o 110.668 2.9970 122.313  4.6563  106.667 4.0106 114.670 4.4546 -8.002991      5.994006 
1 1 1 26 13 7  o 72.042  2.7042 49.068   2.0557  67.301  2.0872 76.783  4.9894 -9.482597      5.408373 
1 1 1 26 13 9  o 163.908 2.3177 269.095  4.9546  163.774 2.4562 164.042 3.9312 -0.2678986     4.635459 
1 1 1 26 13 11 o 137.822 2.1556 188.185  3.7632  134.963 2.1762 140.682 3.7217 -5.719360      4.311263 
1 1 1 26 13 13 o 87.178  2.4217 74.396   2.0192  85.137  1.5749 89.219  4.5802 -4.081352      4.843451 
1 1 1 26 13 15 o 133.055 2.0250 175.737  3.0238  131.433 1.6517 134.677 3.6980 -3.244415      4.050098 
1 1 1 26 13 17 o 74.616  2.2286 57.150   1.9005  77.011  1.8240 72.221  4.0668 4.789330       4.457161 
1 1 1 26 13 19 o 101.277 2.0942 105.477  2.5642  105.321 1.8794 97.234  3.7430 8.086594       4.188327 
1 1 1 26 13 21 o 45.501  3.4647 20.055   1.7916  43.092  2.9635 47.909  6.2638 -4.817719      6.929487 
1 1 1 26 13 23 o 113.299 2.1670 127.964  2.8640  112.160 1.8786 114.437 3.9057 -2.276207      4.334001 
1 1 1 26 13 25 o 96.733  2.0218 95.432   2.3936  99.098  1.8685 94.368  3.5860 4.729683       4.043646 
1 1 1 26 13 27 o 33.849  5.3745 12.738   2.2695  37.109  4.6457 30.589  9.6933 6.519518       10.74907 
1 1 1 26 13 29 o 42.474  4.1726 17.173   2.1822  36.372  4.3887 48.575  7.0981 -12.20366      8.345301 
1 1 1 26 13 31 o 18.315  5.0241 2.5624   1.7166  17.520  6.0230 19.109  8.0429 -1.588512      10.04812 
1 1 1 26 13 33 o 26.611  5.5433 7.3507   2.1377  18.959  6.8321 34.264  8.7314 -15.30447      11.08665 
1 1 1 26 13 35 o 19.679  5.5360 3.3202   2.1283  18.608  6.7000 20.750  8.8146 -2.142334      11.07193 
1 1 1 26 13 37 o 23.275  5.8545 6.1214   2.3650  18.852  7.3220 27.698  9.1373 -8.845161      11.70902 
1 1 1 26 13 39 o 16.655  5.1292 0.9461   2.2303  14.117  6.4166 19.194  8.0039 -5.077477      10.25841 
1 1 1 26 13 41 f 19.241  5.5099 4.1959   2.4081  20.590  7.6609 17.893  7.9214 2.696703       11.01987 
1 1 1 26 14 0  o 246.611 4.5084 610.027  22.220  246.611 4.5084 ?       ?      0.000000       0.000000 
1 1 1 26 14 2  o 126.378 3.0912 159.314  5.4564  130.669 4.6910 122.086 4.0271 8.583191       6.182411 
1 1 1 26 14 4  o 69.169  3.9820 48.096   3.8907  71.601  5.6181 66.737  5.6448 4.863632       7.964080 
1 1 1 26 14 6  o 101.193 3.0128 102.816  4.3097  102.331 4.1805 100.054 4.3395 2.277191       6.025603 
1 1 1 26 14 8  o 109.939 2.1398 120.837  2.9052  109.568 2.0396 110.310 3.7624 -0.7423630     4.279663 
1 1 1 26 14 10 o 21.091  5.6839 3.0338   1.6722  16.746  5.5547 25.437  9.9184 -8.691137      11.36790 
1 1 1 26 14 12 o 46.048  4.6891 23.849   1.6788  50.375  2.1547 41.721  9.1273 8.654713       9.378234 
1 1 1 26 14 14 o 97.006  2.4295 94.061   2.2823  96.706  1.5846 97.305  4.5933 -0.5984879     4.858973 
1 1 1 26 14 16 o 62.046  3.0023 40.329   1.7860  64.774  1.8729 59.318  5.7050 5.456448       6.004580 
1 1 1 26 14 18 o 104.340 2.2429 108.817  2.5327  103.869 1.7212 104.812 4.1425 -0.9419785     4.485865 
1 1 1 26 14 20 o 74.295  2.8664 55.698   2.2095  74.631  2.0533 73.960  5.3525 0.6708069      5.732880 
1 1 1 26 14 22 o 53.115  3.5001 29.247   2.0364  54.906  2.6747 51.324  6.4692 3.582493       7.000281 
1 1 1 26 14 24 o 57.225  3.6059 34.859   2.2675  60.897  2.7261 53.553  6.6768 7.344021       7.211884 
1 1 1 26 14 26 o 49.878  3.8806 24.078   2.1133  46.655  3.1477 53.102  7.0942 -6.446865      7.761212 
1 1 1 26 14 28 o 23.084  6.1216 4.4102   2.3397  18.393  6.9124 27.775  10.105 -9.382416      12.24326 
1 1 1 26 14 30 o 21.467  5.3756 4.4314   1.8869  20.895  6.2458 22.039  8.7509 -1.144386      10.75121 
1 1 1 26 14 32 o 33.692  5.0966 12.936   2.2520  35.798  5.1725 31.586  8.7833 4.212593       10.19322 
1 1 1 26 14 34 o 31.701  5.0152 11.721   1.9988  34.349  4.4613 29.052  8.9836 5.296965       10.03036 
1 1 1 26 14 36 o 28.928  5.4113 10.099   2.1213  29.671  5.8021 28.185  9.1358 1.485373       10.82253 
1 1 1 26 14 38 o 20.716  5.3927 4.8339   2.1409  22.364  7.3790 19.068  7.8660 3.296143       10.78538 
1 1 1 26 14 40 o 18.883  5.2094 4.1330   1.9256  17.683  6.6503 20.084  8.0204 -2.400591      10.41887 
1 1 1 26 15 1  o 318.453 3.6513 1016.34  16.228  312.493 4.6995 324.413 5.5896 -11.92062      7.302695 
1 1 1 26 15 3  o 69.496  3.8212 49.716   3.5991  75.054  4.3387 63.938  6.2914 11.11626       7.642397 
1 1 1 26 15 5  f 73.439  4.1091 55.505   4.0092  77.616  4.4423 69.262  6.9140 8.354370       8.218111 
1 1 1 26 15 7  o 120.103 2.8589 143.625  3.3980  119.214 1.9281 120.991 5.3829 -1.776016      5.717769 
1 1 1 26 15 9  o 114.149 2.5825 129.583  3.4603  112.752 2.2652 115.546 4.6418 -2.794518      5.165027 
1 1 1 26 15 11 o 88.951  2.5865 77.707   2.6462  86.361  2.2180 91.540  4.6733 -5.179512      5.172976 
1 1 1 26 15 13 o 29.404  5.0991 8.2967   1.4086  28.086  3.1828 30.723  9.6888 -2.636770      10.19817 
1 1 1 26 15 15 o 118.626 1.8378 140.628  2.7188  118.013 1.7855 119.239 3.2129 -1.225731      3.675677 
1 1 1 26 15 17 o 176.895 2.0724 318.586  4.5151  181.283 1.9372 172.507 3.6643 8.775955       4.144857 
1 1 1 26 15 19 o 65.828  2.8880 44.291   2.0598  67.162  2.1866 64.495  5.3461 2.667130       5.775946 
1 1 1 26 15 21 o 77.456  2.3720 59.537   2.1096  76.139  2.0127 78.773  4.2960 -2.634537      4.744072 
1 1 1 26 15 23 o 105.055 2.3235 113.153  2.7788  107.775 1.8958 102.334 4.2428 5.440437       4.647085 
1 1 1 26 15 25 o 34.515  4.4784 11.421   1.8412  29.622  4.5266 39.407  7.7287 -9.785397      8.956734 
1 1 1 26 15 27 o 61.913  2.9682 39.785   2.2754  64.132  2.7877 59.695  5.2411 4.437614       5.936387 
1 1 1 26 15 29 o 19.943  5.6240 2.8336   2.0708  16.768  6.4569 23.118  9.2101 -6.349649      11.24799 
1 1 1 26 15 31 o 35.279  4.7385 13.825   2.0870  36.541  4.5432 34.018  8.3169 2.523083       9.476918 
1 1 1 26 15 33 o 37.439  4.9101 16.443   2.2714  42.085  4.3999 32.794  8.7795 9.290844       9.820272 
1 1 1 26 15 35 o 17.564  5.3459 1.4323   2.1537  15.066  6.3761 20.061  8.5825 -4.994567      10.69180 
1 1 1 26 15 37 o 33.056  5.4709 13.337   2.3609  33.736  5.4887 32.376  9.4656 1.360130       10.94183 
1 1 1 26 15 39 o 15.296  4.8446 0.3230   2.1033  14.613  6.4053 15.979  7.2700 -1.365547      9.689233 
1 1 1 26 16 0  o 92.481  5.9183 86.964   10.855  92.481  5.9183 ?       ?      0.000000       0.000000 
1 1 1 26 16 2  o 169.517 3.1171 288.894  7.4683  168.899 4.4987 170.135 4.3159 -1.235474      6.234155 
1 1 1 26 16 4  o 59.357  4.3754 36.263   3.5346  63.402  5.0354 55.313  7.1569 8.088478       8.750813 
1 1 1 26 16 6  o 100.672 2.8521 101.838  4.0422  100.677 4.2492 100.667 3.8056 0.9635925E-02  5.704267 
1 1 1 26 16 8  o 113.511 2.0064 127.475  2.9590  110.407 2.1398 116.616 3.3947 -6.208847      4.012790 
1 1 1 26 16 10 o 27.826  5.2906 7.6921   1.8028  26.435  5.0125 29.217  9.3186 -2.781876      10.58119 
1 1 1 26 16 12 o 50.289  3.1115 25.373   1.3775  50.254  1.7788 50.324  5.9633 -0.7007599E-01 6.222970 
1 1 1 26 16 14 o 35.443  5.7269 15.208   1.5814  41.009  2.3355 29.878  11.213 11.13036       11.45375 
1 1 1 26 16 16 o 33.911  5.2146 11.136   1.6722  32.075  3.3841 35.746  9.8649 -3.670933      10.42923 
1 1 1 26 16 18 o 74.713  2.8876 56.822   2.2751  75.813  2.1055 73.613  5.3778 2.199837       5.775267 
1 1 1 26 16 20 f 115.210 2.6530 136.092  3.2517  117.845 1.9505 112.575 4.9345 5.270592       5.306024 
1 1 1 26 16 22 o 119.550 1.9840 147.355  3.0380  125.857 1.9786 113.242 3.4394 12.61513       3.967910 
1 1 1 26 16 24 o 78.667  2.7679 64.914   2.2645  82.203  1.9418 75.131  5.1841 7.072319       5.535873 
1 1 1 26 16 26 o 18.541  4.9289 2.1973   1.8648  20.388  6.4452 16.693  7.4589 3.694778       9.857780 
1 1 1 26 16 28 o 20.271  5.6253 2.7347   2.2192  20.194  6.7361 20.348  9.0111 -0.1542873     11.25059 
1 1 1 26 16 30 o 27.039  5.4469 8.0014   1.9265  25.716  5.6173 28.361  9.3338 -2.644716      10.89379 
1 1 1 26 16 32 o 21.889  5.9576 4.3655   2.4121  17.891  7.1321 25.888  9.5449 -7.997023      11.91518 
1 1 1 26 16 34 o 17.755  5.3780 1.4217   2.3225  16.116  6.8962 19.393  8.2544 -3.277094      10.75606 
1 1 1 26 16 36 o 17.816  5.3124 2.0052   2.2779  17.916  7.1352 17.717  7.8725 0.1989193      10.62484 
1 1 1 26 16 38 o 23.470  5.4978 7.2771   2.0789  23.492  6.8934 23.448  8.5666 0.4380417E-01  10.99566 
1 1 1 26 17 1  o 56.219  4.9527 32.156   3.9265  58.938  6.7168 53.501  7.2801 5.437084       9.905300 
1 1 1 26 17 3  f 96.289  3.3089 92.481   4.3154  98.946  5.3560 93.633  3.8870 5.312866       6.617828 
1 1 1 26 17 5  o 54.656  4.5968 30.369   3.5411  53.290  6.8295 56.021  6.1547 -2.730225      9.193633 
1 1 1 26 17 7  o 46.010  4.7341 23.021   1.5375  48.702  1.9666 43.317  9.2617 5.384918       9.468145 
1 1 1 26 17 9  o 146.547 2.6131 214.956  4.6390  145.788 2.4088 147.306 4.6380 -1.518616      5.226199 
1 1 1 26 17 11 o 222.557 2.8489 497.935  7.8092  222.464 2.6979 222.651 5.0185 -0.1878052     5.697771 
1 1 1 26 17 13 o 137.345 2.1010 191.424  3.4054  139.671 1.8286 135.019 3.7832 4.652802       4.201955 
1 1 1 26 17 15 o 49.748  3.6774 22.595   1.7613  44.850  2.5626 54.645  6.8939 -9.794956      7.354761 
1 1 1 26 17 17 o 114.844 2.5021 132.624  2.9591  115.045 1.7760 114.644 4.6784 0.4014740      5.004124 
1 1 1 26 17 19 o 103.634 2.2700 110.691  2.6804  107.204 1.8463 100.064 4.1476 7.139816       4.540008 
1 1 1 26 17 21 o 74.583  2.6628 58.794   2.1822  79.225  2.0148 69.941  4.9298 9.284416       5.325609 
1 1 1 26 17 23 o 42.595  3.8176 17.934   1.8655  40.693  3.2951 44.498  6.8876 -3.804867      7.635226 
1 1 1 26 17 25 o 52.845  4.2200 27.004   2.0629  49.816  2.6916 55.874  7.9993 -6.057770      8.440030 
1 1 1 26 17 27 o 22.134  5.4946 4.7478   1.9289  19.561  6.4610 24.707  8.8893 -5.145668      10.98929 
1 1 1 26 17 29 o 22.363  5.1613 4.7862   2.1727  26.741  6.5009 17.985  8.0183 8.756582       10.32255 
1 1 1 26 17 31 o 41.630  5.5179 19.413   2.5608  41.954  4.4136 41.306  10.115 0.6474571      11.03571 
1 1 1 26 17 33 o 57.095  3.2975 34.502   2.3609  57.658  3.2115 56.533  5.7602 1.124920       6.594935 
1 1 1 26 17 35 o 36.436  4.8760 15.030   2.2230  34.398  5.0118 38.474  8.3655 -4.076080      9.751950 
1 1 1 26 17 37 o 19.707  5.5642 4.0450   2.2779  15.745  6.7623 23.669  8.8382 -7.923089      11.12840 
1 1 1 26 17 39 o 20.227  5.6237 5.4204   2.3003  19.242  7.3575 21.212  8.5071 -1.970407      11.24739 
1 1 1 26 18 0  o 171.995 3.7907 297.032  13.025  171.995 3.7907 ?       ?      0.000000       0.000000 
1 1 1 26 18 2  o 127.649 3.0237 163.855  5.4501  125.383 4.1758 129.915 4.3742 -4.531349      6.047349 
1 1 1 26 18 4  o 105.638 3.2492 111.986  4.8115  108.553 4.8820 102.723 4.2889 5.829994       6.498378 
1 1 1 26 18 6  o 60.692  4.4299 37.579   3.7401  62.347  5.5302 59.037  6.9218 3.309639       8.859705 
1 1 1 26 18 8  o 46.357  4.8638 24.898   1.8353  52.096  2.3287 40.619  9.4448 11.47674       9.727690 
1 1 1 26 18 10 o 78.765  2.3898 61.697   2.2843  77.550  2.2230 79.980  4.2311 -2.430573      4.779574 
1 1 1 26 18 12 o 122.544 2.3992 152.820  3.1550  124.570 1.7940 120.518 4.4503 4.051933       4.798304 
1 1 1 26 18 14 f 55.425  4.3479 30.160   1.7698  54.263  2.0004 56.588  8.4626 -2.324818      8.695765 
1 1 1 26 18 16 f 36.065  4.9177 16.849   1.6902  45.124  2.5470 27.005  9.4999 18.11916       9.835368 
1 1 1 26 18 18 o 24.693  5.4434 5.7580   1.7383  21.395  5.6037 27.991  9.3338 -6.596088      10.88676 
1 1 1 26 18 20 o 30.360  5.8369 8.1760   1.9311  23.240  5.5611 37.481  10.264 -14.24184      11.67389 
1 1 1 26 18 22 o 70.426  2.5576 51.014   2.1692  72.437  2.2918 68.414  4.5731 4.022980       5.115251 
1 1 1 26 18 24 o 39.862  5.5313 17.398   2.0990  41.540  3.3816 38.184  10.533 3.356464       11.06258 
1 1 1 26 18 26 o 23.657  5.7667 5.6614   2.1283  22.187  6.6633 25.127  9.4138 -2.940310      11.53341 
1 1 1 26 18 28 o 58.808  2.9149 35.285   2.1899  57.649  2.9905 59.967  5.0044 -2.318317      5.829787 
1 1 1 26 18 30 o 31.594  4.8766 12.024   2.1469  38.790  4.7735 24.397  8.5051 14.39365       9.753108 
1 1 1 26 18 32 o 45.726  4.9772 23.920   2.4507  47.926  3.7304 43.526  9.2290 4.399357       9.954439 
1 1 1 26 18 34 o 22.541  5.7333 5.6614   2.5297  25.455  7.5157 19.627  8.6601 5.828499       11.46663 
1 1 1 26 18 36 f 37.229  5.3234 18.071   2.3936  41.891  4.4202 32.568  9.6859 9.322712       10.64686 
1 1 1 26 18 38 o 22.688  6.4199 7.4369   2.8910  18.872  7.6989 26.503  10.276 -7.630964      12.83981 
1 1 1 26 19 1  o 217.011 3.2036 474.579  9.8226  220.276 4.6089 213.746 4.4509 6.529846       6.407228 
1 1 1 26 19 3  o 131.920 2.8058 174.992  5.2287  134.767 4.0272 129.072 3.9080 5.695450       5.611661 
1 1 1 26 19 5  o 86.812  3.6403 76.578   4.4190  84.283  5.6060 89.341  4.6454 -5.057648      7.280618 
1 1 1 26 19 7  o 71.818  2.4432 49.526   1.9207  67.929  1.9739 75.707  4.4700 -7.777596      4.886394 
1 1 1 26 19 9  o 108.170 2.3107 116.793  3.0359  107.149 2.1452 109.191 4.0933 -2.041405      4.621405 
1 1 1 26 19 11 o 51.112  3.5912 26.681   2.0364  51.936  2.8276 50.288  6.6024 1.647797       7.182413 
1 1 1 26 19 13 o 80.483  2.2670 66.429   1.9103  82.526  1.6248 78.440  4.2328 4.085838       4.533945 
1 1 1 26 19 15 o 85.806  2.3921 72.750   2.1329  84.183  1.7445 87.430  4.4548 -3.247627      4.784229 
1 1 1 26 19 17 o 45.028  4.9598 20.507   1.8840  44.367  2.7344 45.688  9.5352 -1.321011      9.919558 
1 1 1 26 19 19 o 49.703  3.3198 25.363   1.7916  50.528  2.5273 48.877  6.1398 1.651031       6.639650 
1 1 1 26 19 21 o 63.574  3.2352 42.777   2.0368  66.608  2.1089 60.540  6.1172 6.067551       6.470490 
1 1 1 26 19 23 o 37.845  4.6292 15.787   1.9137  40.442  3.4734 35.248  8.5822 5.194504       9.258450 
1 1 1 26 19 25 o 26.035  5.1950 7.1269   2.2424  31.678  5.0390 20.391  9.0863 11.28723       10.39003 
1 1 1 26 19 27 o 42.115  5.0836 19.623   2.4689  42.950  4.3113 41.281  9.2079 1.668621       10.16726 
1 1 1 26 19 29 f 36.733  4.5684 14.731   2.0523  36.689  4.3508 36.776  8.0345 -0.8696365E-01 9.136875 
1 1 1 26 19 31 o 45.997  3.6795 23.167   2.2348  48.972  3.9114 43.021  6.2335 5.950779       7.359029 
1 1 1 26 19 33 o 19.636  5.8682 3.0912   2.3779  16.751  6.7314 22.522  9.6142 -5.771559      11.73648 
1 1 1 26 19 35 o 14.466  4.6919 -2.9558  2.3547  15.466  6.5838 13.466  6.6867 1.999123       9.383891 
1 1 1 26 19 37 o 15.300  5.0687 -1.8271  2.7505  15.308  6.9032 15.292  7.4239 0.1611996E-01  10.13749 
1 1 1 26 20 0  o 109.930 4.6060 122.082  10.088  109.930 4.6060 ?       ?      0.000000       0.000000 
1 1 1 26 20 2  o 78.663  4.3992 62.738   4.6429  79.329  7.2440 77.997  4.9936 1.331345       8.798353 
1 1 1 26 20 4  o 101.621 3.4991 104.696  5.0072  104.328 4.6513 98.913  5.2287 5.414764       6.998163 
1 1 1 26 20 6  o 92.478  2.6411 83.256   2.4570  89.410  1.8568 95.547  4.9452 -6.137299      5.282238 
1 1 1 26 20 8  o 116.647 1.9909 135.862  2.9767  115.574 2.0441 117.720 3.4171 -2.145195      3.981815 
1 1 1 26 20 10 o 67.244  3.7581 48.463   2.4882  71.727  2.4035 62.762  7.1215 8.965626       7.516109 
1 1 1 26 20 12 o 29.524  5.1871 8.9916   1.2620  30.266  2.5316 28.783  10.061 1.483465       10.37419 
1 1 1 26 20 14 o 23.633  4.9756 5.3634   1.4303  25.406  3.5185 21.860  9.3085 3.546261       9.951277 
1 1 1 26 20 16 f 84.151  2.8935 71.426   2.3697  84.225  1.8952 84.077  5.4679 0.1479721      5.787057 
1 1 1 26 20 18 f 91.918  2.8337 87.453   2.7259  94.571  2.0255 89.265  5.2932 5.306633       5.667467 
1 1 1 26 20 20 o 119.039 2.2049 144.452  3.0789  120.945 1.9005 117.132 3.9793 3.812920       4.409884 
1 1 1 26 20 22 o 66.862  3.2012 44.943   2.2856  65.840  2.4245 67.884  5.9257 -2.043961      6.402453 
1 1 1 26 20 24 o 37.585  5.3339 17.389   2.2545  44.340  3.7440 30.830  9.9893 13.51005       10.66787 
1 1 1 26 20 26 o 29.608  5.6362 10.375   2.3610  34.540  4.8064 24.676  10.196 9.864275       11.27237 
1 1 1 26 20 28 o 38.292  5.2800 18.116   2.0820  44.211  3.3217 32.373  10.024 11.83798       10.55993 
1 1 1 26 20 30 o 26.485  5.5744 8.4685   2.2042  27.546  6.5726 25.424  9.0054 2.121742       11.14881 
1 1 1 26 20 32 o 17.360  5.1409 1.8667   2.1409  17.962  7.1410 16.757  7.3974 1.204664       10.28182 
1 1 1 26 20 34 o 20.746  5.8140 5.1080   2.3944  19.277  7.2765 22.216  9.0698 -2.939543      11.62795 
1 1 1 26 20 36 o 24.102  5.3949 8.1218   2.2986  28.478  6.8086 19.727  8.3704 8.751072       10.78980 
1 1 1 26 21 1  o 123.354 2.8704 152.493  4.9779  128.815 4.2132 117.893 3.8995 10.92188       5.740861 
1 1 1 26 21 3  o 215.894 3.4317 470.886  10.447  217.347 5.0529 214.442 4.6449 2.905426       6.863448 
1 1 1 26 21 5  o 179.222 2.3454 323.783  5.2864  180.368 2.3010 178.076 4.0876 2.292557       4.690712 
1 1 1 26 21 7  o 60.291  3.1775 35.596   1.8991  58.538  2.1815 62.043  5.9689 -3.505318      6.355081 
1 1 1 26 21 9  o 37.006  5.7555 10.955   1.8585  28.223  4.0723 45.790  10.767 -17.56683      11.51108 
1 1 1 26 21 11 o 29.871  5.1716 9.4949   1.2620  31.290  2.4487 28.453  10.049 2.837334       10.34321 
1 1 1 26 21 13 o 48.672  3.2983 23.904   1.4594  48.667  1.9680 48.678  6.2961 -0.1107407E-01 6.596550 
1 1 1 26 21 15 o 39.041  5.7736 17.277   1.5814  42.191  2.2701 35.890  11.322 6.300316       11.54716 
1 1 1 26 21 17 o 19.942  4.6642 3.9640   1.5218  18.499  6.3190 21.386  6.8621 -2.886877      9.328361 
1 1 1 26 21 19 o 47.042  2.8291 22.346   1.8571  44.841  3.7022 49.244  4.2788 -4.403557      5.658166 
1 1 1 26 21 21 o 23.845  4.9622 6.2003   1.7855  24.157  6.8317 23.533  7.1986 0.6237679      9.924313 
1 1 1 26 21 23 o 32.889  4.3216 11.878   1.9427  35.323  5.2421 30.455  6.8720 4.868389       8.643150 
1 1 1 26 21 25 o 20.145  5.4188 3.5460   2.2024  17.616  7.3647 22.673  7.9508 -5.056524      10.83767 
1 1 1 26 21 27 o 36.177  4.2858 14.442   2.1385  34.799  6.4802 37.556  5.6105 -2.757435      8.571508 
1 1 1 26 21 29 o 70.873  2.5158 52.020   2.5185  72.306  3.6205 69.441  3.4941 2.864998       5.031597 
1 1 1 26 21 31 o 51.864  3.0338 28.788   2.2024  56.616  3.9472 47.111  4.6081 9.505741       6.067543 
1 1 1 26 21 33 o 22.779  5.5327 6.8320   2.1709  24.316  7.8516 21.241  7.7971 3.075113       11.06534 
1 1 1 26 21 35 o 17.915  5.1620 3.3899   2.0993  16.823  7.2658 19.006  7.3343 -2.183586      10.32396 
1 1 1 26 22 0  o 169.855 4.0650 290.392  13.792  169.855 4.0650 ?       ?      0.000000       0.000000 
1 1 1 26 22 2  o 131.266 3.5248 174.684  6.5370  128.366 4.9244 134.167 5.0446 -5.801407      7.049618 
1 1 1 26 22 4  o 16.506  5.1508 0.8000   1.0892  11.092  4.1969 21.919  9.4078 -10.82763      10.30151 
1 1 1 26 22 6  o 112.566 2.3726 127.543  3.2615  112.588 2.2118 112.544 4.1983 0.4346466E-01  4.745269 
1 1 1 26 22 8  o 40.818  5.8657 17.677   2.0106  41.836  3.0524 39.799  11.327 2.036087       11.73147 
1 1 1 26 22 10 o 138.818 2.2133 193.922  3.5587  138.955 1.8840 138.682 4.0056 0.2738647      4.426505 
1 1 1 26 22 12 o 172.598 1.9336 298.675  4.5133  170.989 2.2405 174.206 3.1521 -3.217819      3.867242 
1 1 1 26 22 14 o 70.200  1.8040 49.372   1.7673  68.655  2.3251 71.745  2.7589 -3.090599      3.607952 
1 1 1 26 22 16 o 75.819  1.8537 58.096   1.9773  78.280  2.4470 73.359  2.7852 4.920982       3.707480 
1 1 1 26 22 18 o 35.976  3.4424 13.149   1.7274  38.679  5.1175 33.273  4.6056 5.405800       6.884752 
1 1 1 26 22 20 o 48.884  2.8634 24.519   1.9794  48.492  4.0818 49.276  4.0169 -0.7836952     5.726849 
1 1 1 26 22 22 o 27.480  4.7169 8.4551   1.8057  25.680  6.4644 29.281  6.8708 -3.600943      9.433802 
1 1 1 26 22 24 o 16.755  4.7120 1.9155   1.7027  17.650  6.5399 15.861  6.7854 1.788649       9.424025 
1 1 1 26 22 26 o 12.600  4.2598 -5.0479  2.1690  11.769  5.7481 13.430  6.2883 -1.660842      8.519553 
1 1 1 26 22 28 o 17.132  4.8265 1.5868   1.9344  19.947  7.0997 14.318  6.5401 5.628810       9.652916 
1 1 1 26 22 30 f 16.589  5.1129 0.7087   2.2555  18.504  7.7635 14.674  6.6555 3.829548       10.22582 
1 1 1 26 22 32 o 18.095  5.2383 2.4746   2.3193  20.498  7.5604 15.692  7.2525 4.805953       10.47653 
1 1 1 26 22 34 o 24.242  5.5435 8.2930   2.1634  24.186  8.0833 24.298  7.5882 -0.1117153     11.08697 
1 1 1 26 23 1  o 57.566  5.8065 34.708   4.6146  57.322  7.1288 57.810  9.1673 -0.4871750     11.61292 
1 1 1 26 23 3  o 40.041  4.3583 14.912   1.2579  37.079  2.0664 43.003  8.4681 -5.923935      8.716541 
1 1 1 26 23 5  o 61.272  3.5689 38.280   1.9531  61.797  2.0665 60.746  6.8321 1.050804       7.137810 
1 1 1 26 23 7  o 64.656  4.0281 40.998   2.4324  62.454  2.5559 66.858  7.6401 -4.404167      8.056283 
1 1 1 26 23 9  o 39.694  2.1625 15.798   1.1997  40.866  3.2811 38.521  2.8178 2.345123       4.325013 
1 1 1 26 23 11 o 133.013 1.7904 178.408  3.2416  134.095 2.0951 131.931 2.9038 2.164124       3.580730 
1 1 1 26 23 13 o 147.985 1.7727 220.330  3.6857  147.342 2.3401 148.628 2.6635 -1.286957      3.545458 
1 1 1 26 23 15 o 91.741  1.7083 85.034   2.1913  93.598  2.1830 89.885  2.6283 3.712463       3.416639 
1 1 1 26 23 17 o 61.148  2.2899 37.927   1.9794  60.104  3.2932 62.192  3.1827 -2.088390      4.579823 
1 1 1 26 23 19 o 24.810  4.7190 6.7681   1.7027  28.780  6.7628 20.839  6.5834 7.940638       9.438060 
1 1 1 26 23 21 o 55.261  2.5726 31.311   2.0067  57.153  3.6867 53.369  3.5892 3.783943       5.145256 
1 1 1 26 23 23 o 62.613  2.3448 40.098   2.0629  61.410  3.1192 63.815  3.5019 -2.405220      4.689670 
1 1 1 26 23 25 o 43.147  3.5565 20.333   2.0993  38.747  5.7675 47.547  4.1630 -8.799633      7.113007 
1 1 1 26 23 27 o 23.416  5.5957 6.5711   2.2275  21.989  8.1257 24.844  7.6953 -2.854750      11.19130 
1 1 1 26 23 29 o 15.038  4.7645 -2.1253  2.2275  18.744  7.7494 11.331  5.5451 7.412548       9.528973 
1 1 1 26 23 31 o 19.478  5.6259 4.1544   2.4479  19.580  8.1300 19.377  7.7787 0.2021160      11.25190 
1 1 1 26 23 33 o 15.615  4.9196 0.7844   2.2183  15.948  6.9186 15.281  6.9959 0.6673470      9.839188 
1 1 1 26 24 0  o 69.582  1.4697 48.526   2.0432  69.582  1.4697 ?       ?      0.000000       0.000000 
1 1 1 26 24 2  o 51.920  3.9026 25.993   1.5518  49.821  1.9224 54.019  7.5648 -4.198540      7.805204 
1 1 1 26 24 4  o 34.055  5.0985 13.980   1.4991  39.203  2.4431 28.908  9.9000 10.29458       10.19700 
1 1 1 26 24 6  f 18.671  3.2542 3.5662   0.8324  21.377  4.8839 15.965  4.3019 5.411931       6.508413 
1 1 1 26 24 8  o 23.888  2.8154 5.8302   0.9159  27.490  3.7164 20.287  4.2303 7.202547       5.630881 
1 1 1 26 24 10 o 83.658  1.8049 70.607   2.0587  84.205  2.1232 83.111  2.9194 1.093498       3.609791 
1 1 1 26 24 12 o 87.131  1.6609 76.401   2.0352  86.911  2.2040 87.351  2.4853 -0.4400330     3.321777 
1 1 1 26 24 14 o 80.737  1.8453 65.453   2.0897  78.231  2.4485 83.242  2.7614 -5.010269      3.690590 
1 1 1 26 24 16 o 69.959  2.1630 49.752   2.1385  70.569  2.9858 69.349  3.1304 1.220329       4.326043 
1 1 1 26 24 18 o 76.076  2.1373 58.932   2.2968  76.080  3.1053 76.073  2.9377 0.6744385E-02  4.274627 
1 1 1 26 24 20 o 52.299  2.8251 28.428   2.0629  53.420  3.5858 51.179  4.3666 2.241337       5.650194 
1 1 1 26 24 22 o 48.601  3.0008 24.758   2.0352  50.567  3.7881 46.636  4.6551 3.931328       6.001585 
1 1 1 26 24 24 o 25.732  5.5732 8.0221   2.2543  23.801  8.5792 27.662  7.1161 -3.860888      11.14632 
1 1 1 26 24 26 o 31.187  5.0282 11.623   2.1540  31.842  7.5287 30.532  6.6671 1.309830       10.05638 
1 1 1 26 24 28 o 15.222  4.7725 0.0539   2.0412  15.696  6.9158 14.748  6.5787 0.9476595      9.544993 
1 1 1 26 24 30 o 20.024  5.5873 4.7844   2.3301  19.643  7.8184 20.406  7.9840 -0.7622833     11.17460 
1 1 1 26 24 32 o 18.760  5.4583 4.0473   2.3225  18.605  8.0925 18.916  7.3270 -0.3104916     10.91669 
1 1 1 26 25 1  f 79.653  1.4193 63.764   1.5937  78.999  2.1014 80.308  1.9082 -1.309807      2.838510 
1 1 1 26 25 3  o 47.699  1.8476 22.934   1.2443  48.176  2.5182 47.221  2.7043 0.9551468      3.695214 
1 1 1 26 25 5  o 68.440  1.4265 47.006   1.3542  68.150  1.7801 68.731  2.2296 -0.5806351     2.853053 
1 1 1 26 25 7  o 49.376  1.7883 24.427   1.2246  48.196  2.2522 50.557  2.7785 -2.360828      3.576620 
1 1 1 26 25 9  o 37.514  2.4796 14.315   1.3082  34.720  3.6780 40.309  3.3265 -5.588753      4.959181 
1 1 1 26 25 11 o 36.521  2.5945 13.497   1.3287  37.945  3.8702 35.098  3.4565 2.847187       5.189031 
1 1 1 26 25 13 o 21.618  4.5031 5.1080   1.4686  21.618  6.3683 21.618  6.3683 0.000000       9.006172 
1 1 1 26 25 15 o 72.925  1.9508 53.815   1.9986  71.261  2.5984 74.588  2.9105 -3.327141      3.901662 
1 1 1 26 25 17 o 83.320  2.0659 70.677   2.4112  83.400  2.6796 83.240  3.1450 0.1607285      4.131706 
1 1 1 26 25 19 o 42.661  3.4554 19.246   2.0746  39.853  5.1269 45.468  4.6341 -5.615025      6.910857 
1 1 1 26 25 21 o 17.920  5.0015 2.7012   1.8787  17.658  7.1644 18.181  6.9807 -0.5230293     10.00296 
1 1 1 26 25 23 o 52.387  2.9037 28.902   2.1385  55.107  3.8236 49.667  4.3709 5.439308       5.807319 
1 1 1 26 25 25 o 36.601  4.5286 15.443   2.2555  42.878  5.6586 30.323  7.0719 12.55521       9.057149 
1 1 1 26 25 27 o 19.785  5.4201 4.2179   2.1540  21.705  8.1048 17.864  7.1988 3.840939       10.84016 
1 1 1 26 25 29 o 22.977  5.5823 7.1624   2.1987  23.426  7.7392 22.527  8.0471 0.8982906      11.16469 
1 1 1 26 26 0  o 72.801  3.1704 53.634   4.5972  72.801  3.1704 ?       ?      0.000000       0.000000 
1 1 1 26 26 2  o 25.026  3.0132 6.4888   0.9857  25.095  3.3076 24.956  5.0376 0.1387424      6.026441 
1 1 1 26 26 4  o 48.235  1.9093 23.669   1.2483  49.492  2.1932 46.979  3.1260 2.513214       3.818638 
1 1 1 26 26 6  f 50.559  1.8447 25.796   1.2895  50.614  2.2707 50.503  2.9079 0.1111183      3.689421 
1 1 1 26 26 8  o 11.610  3.5764 -0.4707  1.1092  9.8497  4.5220 13.370  5.5420 -3.520441      7.152803 
1 1 1 26 26 10 o 51.263  2.0725 26.703   1.4998  48.976  2.9985 53.549  2.8617 -4.573494      4.144923 
1 1 1 26 26 12 o 46.702  2.4305 22.409   1.5937  48.386  3.1671 45.017  3.6877 3.368328       4.861024 
1 1 1 26 26 14 o 29.357  3.5473 9.1860   1.4303  29.238  5.4443 29.476  4.5490 -0.2378769     7.094601 
1 1 1 26 26 16 o 21.444  4.7278 5.0780   1.6276  24.112  6.6662 18.775  6.7060 5.336872       9.455620 
1 1 1 26 26 18 o 35.700  3.6947 13.607   1.8318  35.365  5.7775 36.034  4.6071 -0.6687469     7.389451 
1 1 1 26 26 20 o 44.260  3.5069 21.254   2.1156  41.281  5.7229 47.239  4.0549 -5.958046      7.013814 
1 1 1 26 26 22 f 24.788  5.1916 7.1513   2.1347  31.044  7.3111 18.533  7.3729 12.51065       10.38323 
1 1 1 26 26 24 o 25.204  5.3385 7.9587   2.0707  26.726  7.2310 23.683  7.8556 3.042906       10.67693 
1 1 1 26 26 26 o 38.568  4.0112 17.065   2.1540  37.828  6.2453 39.309  5.0354 -1.480644      8.022388 
1 1 1 26 26 28 o 37.690  4.4584 17.119   2.3091  41.536  6.1490 33.844  6.4574 7.691952       8.916708 
1 1 1 26 27 1  o 68.509  1.7137 47.441   1.6601  67.810  2.4482 69.208  2.3987 -1.397995      3.427455 
1 1 1 26 27 3  o 43.050  2.2750 18.796   1.3364  42.442  2.7080 43.657  3.6563 -1.215466      4.549932 
1 1 1 26 27 5  o 58.582  2.2355 35.131   1.7744  59.519  2.5747 57.644  3.6553 1.874771       4.471025 
1 1 1 26 27 7  o 38.452  2.4068 15.119   1.3082  37.727  3.3849 39.178  3.4225 -1.451172      4.813607 
1 1 1 26 27 9  o 30.184  3.5623 9.7691   1.4686  27.312  5.5699 33.056  4.4426 -5.743586      7.124634 
1 1 1 26 27 11 o 50.407  2.5130 26.140   1.7855  49.661  3.7286 51.154  3.3702 -1.492470      5.025985 
1 1 1 26 27 13 o 24.434  4.7509 6.8284   1.6914  24.114  6.6660 24.754  6.7711 -0.6401634     9.501746 
1 1 1 26 27 15 f 20.798  4.9956 4.7040   1.7507  21.502  7.2550 20.093  6.8695 1.408733       9.991260 
1 1 1 26 27 17 o 18.017  4.8913 2.8185   1.7787  20.505  7.3438 15.529  6.4628 4.975902       9.782597 
1 1 1 26 27 19 o 40.934  3.6987 18.141   2.1385  40.260  5.3923 41.608  5.0641 -1.348015      7.397442 
1 1 1 26 27 21 f 65.359  2.6286 44.788   2.4246  64.447  3.8639 66.271  3.5648 -1.824326      5.257165 
1 1 1 26 27 23 o 34.314  4.5777 13.912   2.1156  31.813  7.5331 36.815  5.2031 -5.001965      9.155300 
1 1 1 26 27 25 o 27.097  5.4626 9.7199   2.2183  30.959  7.8282 23.235  7.6210 7.724394       10.92523 
1 1 1 26 27 27 o 38.178  5.0153 19.142   2.5285  32.144  8.5779 44.211  5.1991 -12.06768      10.03051 
1 1 1 26 28 0  o 55.935  2.8698 31.798   3.1925  55.935  2.8698 ?       ?      0.000000       0.000000 
1 1 1 26 28 2  o 85.862  1.7347 74.457   2.0993  88.177  2.5344 83.548  2.3691 4.628731       3.469311 
1 1 1 26 28 4  o 109.349 1.8130 121.051  2.6253  109.219 1.9877 109.479 3.0327 -0.2599335     3.626068 
1 1 1 26 28 6  o 83.118  1.9333 69.512   2.2123  80.030  2.3935 86.207  3.0367 -6.176392      3.866598 
1 1 1 26 28 8  o 17.900  4.4439 3.0704   1.4658  15.442  6.2906 20.358  6.2786 -4.916435      8.887739 
1 1 1 26 28 10 o 61.429  2.3408 38.835   1.9865  62.637  2.8542 60.221  3.7109 2.415894       4.681623 
1 1 1 26 28 12 o 66.518  2.2427 45.229   2.0897  65.280  2.9343 67.756  3.3925 -2.475685      4.485453 
1 1 1 26 28 14 o 73.450  2.2343 55.795   2.2827  75.624  2.7862 71.276  3.4937 4.348877       4.468678 
1 1 1 26 28 16 o 32.563  4.3124 11.978   1.9070  30.756  6.0278 34.370  6.1687 -3.614086      8.624784 
1 1 1 26 28 18 o 18.031  5.1335 2.7364   2.0108  18.768  7.4023 17.294  7.1145 1.473883       10.26696 
1 1 1 26 28 20 o 29.953  4.7095 10.555   1.9050  31.851  7.1868 28.054  6.0884 3.796553       9.419068 
1 1 1 26 28 22 o 20.594  5.6751 4.1314   2.6919  17.395  8.0808 23.792  7.9703 -6.397114      11.35010 
1 1 1 26 28 24 o 30.097  5.2243 11.993   2.2056  27.696  8.3234 32.497  6.3163 -4.800871      10.44863 
1 1 1 26 28 26 o 18.944  5.4264 4.2780   2.2986  20.498  7.9050 17.390  7.4360 3.108599       10.85275 
1 1 1 26 29 1  o 85.725  1.8960 74.705   2.2986  85.650  2.6837 85.799  2.6791 -0.1489716     3.792059 
1 1 1 26 29 3  o 110.645 1.8175 124.365  2.8410  108.693 2.6435 112.597 2.4951 -3.904083      3.635042 
1 1 1 26 29 5  o 85.695  2.1491 75.060   2.5540  86.084  2.6702 85.305  3.3682 0.7789841      4.298234 
1 1 1 26 29 7  o 20.354  4.5177 4.3827   1.5937  24.602  6.2216 16.106  6.5520 8.495815       9.035300 
1 1 1 26 29 9  o 43.292  2.7622 19.519   1.6866  41.704  3.8276 44.879  3.9836 -3.174541      5.524446 
1 1 1 26 29 11 o 24.661  4.3597 6.9623   1.5937  30.209  5.7036 19.114  6.5952 11.09570       8.719432 
1 1 1 26 29 13 o 18.265  4.8288 3.0147   1.7787  15.874  6.7880 20.657  6.8695 -4.782510      9.657500 
1 1 1 26 29 15 o 16.470  4.7303 1.7696   1.7787  15.026  6.6079 17.914  6.7706 -2.887820      9.460693 
1 1 1 26 29 17 o 29.096  4.9151 10.131   1.9865  32.643  7.0466 25.549  6.8541 7.093622       9.830165 
1 1 1 26 29 19 o 19.979  5.1898 4.6265   1.9218  19.780  7.6710 20.179  6.9921 -0.3985481     10.37951 
1 1 1 26 29 21 o 17.764  5.4837 1.9506   2.4247  21.023  8.8180 14.505  6.5212 6.518075       10.96735 
1 1 1 26 29 23 o 12.906  4.3297 -2.8304  2.1271  13.078  6.2546 12.733  5.9887 0.3444719      8.659345 
1 1 1 26 30 0  o 22.061  8.3615 7.0236   3.4479  22.061  8.3615 ?       ?      0.000000       0.000000 
1 1 1 26 30 2  o 40.870  3.0908 17.545   1.7787  43.130  4.4413 38.611  4.2996 4.519054       6.181526 
1 1 1 26 30 4  o 42.474  2.9899 18.986   1.7787  41.944  4.5668 43.004  3.8604 -1.059689      5.979857 
1 1 1 26 30 6  o 34.270  3.8684 12.761   1.7057  34.342  6.5563 34.198  4.1076 0.1445465      7.736767 
1 1 1 26 30 8  o 59.505  2.3553 36.549   1.9711  59.150  3.1305 59.861  3.5199 -0.7117615     4.710588 
1 1 1 26 30 10 o 59.101  2.2602 36.118   1.8787  59.901  2.9846 58.301  3.3951 1.600025       4.520425 
1 1 1 26 30 12 o 59.012  2.6829 36.586   2.2348  61.122  3.6562 56.902  3.9274 4.219769       5.365865 
1 1 1 26 30 14 o 63.590  2.5258 42.763   2.2275  67.921  3.1022 59.258  3.9867 8.663055       5.051527 
1 1 1 26 30 16 o 43.824  3.4752 21.057   2.1156  43.529  5.4273 44.118  4.3418 -0.5881348     6.950316 
1 1 1 26 30 18 o 15.582  4.7965 0.1081   2.0629  19.024  7.6561 12.140  5.7802 6.883297       9.593000 
1 1 1 26 30 20 o 16.011  5.1268 0.2456   2.4754  17.697  7.7992 14.325  6.6565 3.372540       10.25356 
1 1 1 26 31 1  o 65.544  2.2049 44.270   2.0412  68.061  3.0958 63.027  3.1405 5.034218       4.409868 
1 1 1 26 31 3  o 67.220  2.3315 46.918   2.1913  65.861  3.5870 68.579  2.9794 -2.717567      4.662993 
1 1 1 26 31 5  o 36.260  4.1657 15.060   1.9052  33.490  7.2586 39.031  4.0898 -5.540451      8.331491 
1 1 1 26 31 7  o 16.893  4.6269 1.7856   1.7618  14.564  6.7604 19.222  6.3190 -4.657806      9.253788 
1 1 1 26 31 9  o 19.484  5.0764 4.1525   1.8429  18.070  6.8790 20.897  7.4671 -2.826687      10.15272 
1 1 1 26 31 11 o 38.288  3.5981 16.076   1.9469  39.395  5.0244 37.182  5.1518 2.213272       7.196205 
1 1 1 26 31 13 o 47.203  3.1058 24.027   2.0629  49.266  4.5361 45.140  4.2435 4.126671       6.211586 
1 1 1 26 31 15 o 24.550  5.0927 7.7400   1.8571  25.724  7.6414 23.376  6.7342 2.348370       10.18531 
1 1 1 26 31 17 o 12.240  4.0730 -4.1050  1.9711  10.157  5.0686 14.324  6.3769 -4.166700      8.145904 
1 1 1 26 31 19 o 14.671  4.7573 -0.8336  2.2915  13.507  6.4517 15.836  6.9931 -2.328628      9.514595 
1 1 1 26 32 0  o 34.586  5.7810 13.409   3.7033  34.586  5.7810 ?       ?      0.000000       0.000000 
1 1 1 26 32 2  o 22.217  5.0841 5.9997   1.8192  22.414  7.2527 22.021  7.1267 0.3926411      10.16815 
1 1 1 26 32 4  o 19.531  5.1597 4.2141   1.9155  19.707  7.3099 19.354  7.2838 0.3523006      10.31936 
1 1 1 26 32 6  o 28.928  5.0165 10.114   1.9454  30.000  8.1077 27.855  5.9098 2.144375       10.03291 
1 1 1 26 32 8  o 29.978  4.7783 10.888   1.9052  30.715  7.6994 29.241  5.6610 1.473541       9.556603 
1 1 1 26 32 10 o 20.727  5.1430 5.0761   2.0412  24.766  7.4163 16.689  7.1273 8.077097       10.28593 
1 1 1 26 32 12 o 17.540  5.0480 2.9145   1.9711  19.276  7.5405 15.804  6.7133 3.471699       10.09592 
1 1 1 26 32 14 o 32.614  5.0074 13.873   2.2968  37.474  5.9636 27.754  8.0457 9.719223       10.01488 
1 1 1 26 32 16 o 54.913  3.1683 33.579   2.4479  55.490  4.7177 54.336  4.2304 1.154331       6.336680 
1 1 1 26 33 1  f 17.927  5.0607 3.2009   1.9218  20.170  7.7073 15.684  6.5603 4.485620       10.12131 
1 1 1 26 33 3  o 14.909  4.8458 -0.9009  2.2951  16.082  7.3286 13.736  6.3418 2.345936       9.691607 
1 1 1 26 33 5  o 16.758  5.0088 2.1550   2.0352  17.276  7.3003 16.240  6.8598 1.035952       10.01756 
1 1 1 26 33 7  o 13.709  4.5160 -1.5610  2.0585  14.626  6.8616 12.792  5.8733 1.834512       9.031987 
1 1 1 26 33 9  o 15.636  4.9768 0.5747   2.2348  16.804  7.5707 14.467  6.4620 2.336751       9.953529 
1 1 1 26 33 11 o 17.213  5.0879 2.5845   2.1385  15.238  6.8410 19.188  7.5332 -3.950244      10.17585 
1 1 1 26 34 0  o 14.424  8.6352 3.5756   4.3418  14.424  8.6352 ?       ?      0.000000       0.000000 
1 1 1 26 34 2  o 24.109  5.5942 8.0674   2.1246  26.148  8.6264 22.070  7.1251 4.077911       11.18848 
1 1 1 26 34 4  o 21.839  5.6811 6.6177   2.3091  24.520  8.5092 19.157  7.5293 5.362789       11.36211 
1 1 1 26 34 6  o 17.496  5.2977 2.7314   2.1851  20.421  8.4473 14.570  6.3957 5.850660       10.59539 
1 1 1 27 1  0  o 229.145 2.8711 525.617  13.153  229.145 2.8711 ?       ?      0.000000       0.000000 
1 1 1 27 1  2  o 237.066 2.0482 562.719  6.8602  236.441 2.9705 237.692 2.8206 -1.251526      4.096311 
1 1 1 27 1  4  o 261.291 2.2809 683.711  8.4283  261.046 3.2286 261.535 3.2226 -0.4886780     4.561730 
1 1 1 27 1  6  o 139.250 1.7875 193.722  3.4828  140.751 2.7218 137.748 2.3177 3.003250       3.574904 
1 1 1 27 1  8  o 226.564 2.0549 513.971  6.5611  226.662 3.0423 226.466 2.7630 0.1962128      4.109778 
1 1 1 27 1  10 o 225.734 2.0207 510.431  6.4483  224.076 2.9065 227.392 2.8079 -3.316177      4.041318 
1 1 1 27 1  12 o 153.497 1.8109 235.982  3.9203  153.053 2.6700 153.943 2.4471 -0.8899536     3.621754 
1 1 1 27 1  14 o 189.629 1.8280 360.763  4.8677  187.004 2.7657 192.255 2.3912 -5.251083      3.656061 
1 1 1 27 1  16 o 37.132  3.2196 13.206   1.5565  40.785  5.3228 33.479  3.6237 7.306599       6.439200 
1 1 1 27 1  18 o 119.338 1.7237 143.479  2.8378  116.403 2.7426 122.272 2.0888 -5.869591      3.447488 
1 1 1 27 1  20 o 152.667 1.9075 233.535  4.1161  153.977 2.7369 151.358 2.6577 2.618484       3.814909 
1 1 1 27 1  22 o 76.689  1.9451 58.948   2.1051  80.513  2.6964 72.866  2.8041 7.646622       3.890148 
1 1 1 27 1  24 o 83.621  2.1466 69.987   2.4732  82.601  2.6282 84.641  3.3947 -2.039841      4.293149 
1 1 1 27 1  26 o 93.119  1.9879 87.028   2.6179  92.947  2.8165 93.290  2.8062 -0.3428497     3.975837 
1 1 1 27 1  28 o 51.173  2.8750 26.530   2.0707  50.459  4.3023 51.887  3.8148 -1.427589      5.749985 
1 1 1 27 1  30 o 27.777  5.0485 8.4631   2.0897  32.709  6.0836 22.845  8.0584 9.864017       10.09690 
1 1 1 27 1  32 o 54.526  2.5227 29.993   1.9344  57.504  3.6642 51.548  3.4683 5.956127       5.045333 
1 1 1 27 1  34 o 21.602  5.1228 4.6998   1.9469  18.173  7.2483 25.030  7.2411 -6.856859      10.24559 
1 1 1 27 1  36 o 39.935  3.1210 16.687   1.7553  41.486  4.1556 38.385  4.6576 3.100872       6.241955 
1 1 1 27 1  38 o 31.535  4.7498 11.825   2.1385  23.625  7.8556 39.445  5.3417 -15.82024      9.499698 
1 1 1 27 1  40 o 29.250  5.0985 10.355   2.0993  26.456  7.2637 32.044  7.1566 -5.588444      10.19695 
1 1 1 27 1  42 o 15.580  4.8559 0.4117   2.1385  17.091  7.2057 14.069  6.5111 3.022728       9.711720 
1 1 1 27 1  44 o 13.769  4.5071 -0.7722  1.9454  12.268  5.6408 15.270  7.0311 -3.001483      9.014177 
1 1 1 27 2  1  o 162.210 1.7403 263.000  3.9781  164.308 2.5648 160.112 2.3528 4.196808       3.480504 
1 1 1 27 2  3  f 181.737 1.8790 330.311  4.7951  182.883 2.8280 180.590 2.4750 2.293106       3.758038 
1 1 1 27 2  5  o 176.174 1.7074 310.763  4.2343  175.459 2.5473 176.888 2.2741 -1.428696      3.414726 
1 1 1 27 2  7  o 148.741 1.7488 220.844  3.6378  151.025 2.6635 146.458 2.2670 4.566971       3.497678 
1 1 1 27 2  9  o 155.850 1.7119 243.208  3.7574  155.432 2.5469 156.268 2.2881 -0.8355713     3.423796 
1 1 1 27 2  11 o 108.627 1.6418 118.115  2.5217  108.334 2.2986 108.919 2.3449 -0.5848694     3.283601 
1 1 1 27 2  13 o 136.648 1.6808 187.204  3.1862  135.789 2.6332 137.506 2.0896 -1.717010      3.361565 
1 1 1 27 2  15 o 106.310 1.6236 113.197  2.3994  106.058 2.5285 106.562 2.0372 -0.5047836     3.247126 
1 1 1 27 2  17 o 60.615  2.1756 36.522   1.7966  62.121  3.4946 59.109  2.5925 3.012264       4.351275 
1 1 1 27 2  19 o 40.619  3.0553 16.545   1.7507  39.373  4.2164 41.865  4.4229 -2.491943      6.110636 
1 1 1 27 2  21 o 60.014  2.1675 36.079   1.7744  59.726  2.5657 60.302  3.4942 -0.5759201     4.335007 
1 1 1 27 2  23 o 70.091  2.2649 49.470   2.2275  71.520  2.9461 68.662  3.4407 2.857994       4.529727 
1 1 1 27 2  25 o 82.132  1.8170 67.484   2.0897  83.431  2.7551 80.833  2.3697 2.597496       3.634039 
1 1 1 27 2  27 o 19.945  4.9681 3.4981   1.7855  21.898  6.9894 17.992  7.0624 3.905834       9.936289 
1 1 1 27 2  29 o 14.830  4.5044 -0.6223  1.7507  12.384  5.7171 17.276  6.9623 -4.892222      9.008876 
1 1 1 27 2  31 o 25.484  5.0570 7.0236   1.9155  23.350  7.3583 27.618  6.9389 -4.267521      10.11398 
1 1 1 27 2  33 o 34.888  3.7500 12.563   1.8429  33.328  5.1727 36.447  5.4308 -3.118584      7.500002 
1 1 1 27 2  35 o 46.213  3.4673 22.349   2.2626  47.708  4.9520 44.718  4.8546 2.989292       6.934664 
1 1 1 27 2  37 o 61.131  2.6284 38.609   2.2626  62.049  3.4987 60.214  3.9235 1.834988       5.256878 
1 1 1 27 2  39 o 31.998  4.4877 11.876   1.9794  25.877  7.3209 38.119  5.1925 -12.24226      8.975410 
1 1 1 27 2  41 f 27.730  5.7243 10.017   2.4479  24.809  8.6144 30.652  7.5409 -5.843262      11.44868 
1 1 1 27 2  43 o 23.851  5.7096 7.9914   2.3994  26.640  7.7094 21.062  8.4238 5.578598       11.41911 
1 1 1 27 3  0  o 188.073 2.7173 354.115  10.216  188.073 2.7173 ?       ?      0.000000       0.000000 
1 1 1 27 3  2  o 110.785 1.6942 122.954  2.6463  109.456 2.5084 112.114 2.2781 -2.657539      3.388434 
1 1 1 27 3  4  o 105.634 1.5878 111.461  2.3349  106.563 2.4566 104.705 2.0124 1.857635       3.175644 
1 1 1 27 3  6  o 211.651 1.9634 448.569  5.8715  210.741 2.8480 212.562 2.7035 -1.820618      3.926826 
1 1 1 27 3  8  o 76.559  1.6913 58.807   1.8057  75.594  2.6184 77.525  2.1414 -1.930962      3.382562 
1 1 1 27 3  10 o 114.854 1.5933 132.052  2.5824  114.738 2.3372 114.969 2.1659 -0.2306976     3.186545 
1 1 1 27 3  12 o 35.664  3.0791 12.259   1.4855  40.019  4.7865 31.309  3.8747 8.709520       6.158262 
1 1 1 27 3  14 o 30.567  4.1428 10.584   1.3894  26.152  7.7538 34.981  2.9205 -8.828745      8.285568 
1 1 1 27 3  16 o 174.016 1.9580 302.947  4.6229  173.473 2.2820 174.559 3.1823 -1.085754      3.915964 
1 1 1 27 3  18 o 247.537 2.1821 614.370  7.5209  247.855 2.7564 247.219 3.3834 0.6364136      4.364104 
1 1 1 27 3  20 o 114.817 1.8315 131.221  2.8247  112.753 2.0953 116.881 3.0046 -4.128510      3.662995 
1 1 1 27 3  22 f 92.401  1.9097 85.686   2.4836  93.071  2.5384 91.732  2.8538 1.339363       3.819371 
1 1 1 27 3  24 o 46.924  2.9338 22.105   1.9344  48.390  4.3544 45.459  3.9328 2.931221       5.867507 
1 1 1 27 3  26 o 18.085  4.8330 1.6790   1.8297  20.198  6.4514 15.971  7.1980 4.226392       9.666017 
1 1 1 27 3  28 o 68.387  2.6400 46.962   2.5285  70.885  3.9634 65.889  3.4886 4.995316       5.280017 
1 1 1 27 3  30 o 73.298  2.1869 54.179   2.2662  71.870  3.1095 74.726  3.0760 -2.856873      4.373887 
1 1 1 27 3  32 o 82.065  1.8743 68.008   2.1690  83.564  2.5215 80.567  2.7738 2.997177       3.748591 
1 1 1 27 3  34 o 50.341  2.9901 26.225   2.0761  50.919  3.6365 49.763  4.7474 1.156391       5.980146 
1 1 1 27 3  36 o 33.370  4.8255 12.609   2.1913  35.099  6.9786 31.641  6.6664 3.458492       9.651030 
1 1 1 27 3  38 o 23.763  5.3126 6.6843   2.0412  21.593  7.7054 25.933  7.3158 -4.340422      10.62511 
1 1 1 27 3  40 o 25.013  5.5754 7.8508   2.1987  25.029  8.0790 24.996  7.6857 0.3253365E-01  11.15080 
1 1 1 27 3  42 o 23.712  5.4045 7.4105   2.1051  26.596  7.7135 20.827  7.5722 5.768757       10.80907 
1 1 1 27 4  1  o 54.100  1.8973 29.524   1.4359  50.381  2.9149 57.819  2.4295 -7.437885      3.794645 
1 1 1 27 4  3  o 139.427 1.6045 194.643  3.1577  138.347 2.3538 140.506 2.1813 -2.158569      3.209078 
1 1 1 27 4  5  o 75.415  1.6876 57.146   1.7787  73.633  2.6014 77.198  2.1505 -3.564995      3.375200 
1 1 1 27 4  7  o 191.028 1.8682 365.480  5.0442  187.251 2.6938 194.805 2.5894 -7.553986      3.736497 
1 1 1 27 4  9  o 167.343 1.7244 281.396  4.0341  163.533 2.6550 171.153 2.2011 -7.619324      3.448735 
1 1 1 27 4  11 o 39.508  2.5624 15.222   1.3792  42.961  4.0128 36.054  3.1878 6.907314       5.124898 
1 1 1 27 4  13 o 158.606 1.6853 251.429  3.7282  157.197 2.1528 160.016 2.5937 -2.818909      3.370680 
1 1 1 27 4  15 o 42.881  2.7500 18.599   1.5775  43.871  3.0564 41.891  4.5726 1.979595       5.499976 
1 1 1 27 4  17 o 55.517  2.3556 30.830   1.7520  55.199  2.6605 55.835  3.8881 -0.6355095     4.711222 
1 1 1 27 4  19 f 41.813  3.1119 18.189   1.7274  45.965  3.3339 37.662  5.2556 8.302540       6.223812 
1 1 1 27 4  21 o 142.450 1.8329 203.647  3.6378  143.290 2.3171 141.610 2.8406 1.680145       3.665803 
1 1 1 27 4  23 o 123.798 1.7761 153.658  3.0701  123.701 2.2711 123.896 2.7314 -0.1943512     3.552259 
1 1 1 27 4  25 o 77.455  1.9373 60.368   2.0897  78.592  2.4373 76.318  3.0119 2.273659       3.874527 
1 1 1 27 4  27 o 115.649 1.7430 134.574  2.8381  118.645 2.3141 112.653 2.6072 5.992096       3.486070 
1 1 1 27 4  29 o 31.268  4.1290 10.258   1.7089  32.100  4.5750 30.436  6.8750 1.664112       8.258094 
1 1 1 27 4  31 o 76.087  2.1955 58.487   2.3625  76.087  3.1050 76.087  3.1050 0.000000       4.391074 
1 1 1 27 4  33 o 46.604  2.8495 22.365   1.8318  44.992  4.5413 48.215  3.4431 -3.222805      5.698969 
1 1 1 27 4  35 o 33.814  4.4005 12.539   2.0253  32.888  7.0036 34.741  5.3299 -1.852932      8.801071 
1 1 1 27 4  37 o 21.897  5.2932 5.3119   1.9711  22.086  7.2550 21.708  7.7094 0.3778763      10.58635 
1 1 1 27 4  39 o 39.159  3.7081 16.699   2.0412  40.649  4.8693 37.669  5.5936 2.980511       7.416151 
1 1 1 27 4  41 o 28.054  5.2247 9.8272   2.0761  27.698  6.7398 28.411  7.9853 -0.7128296     10.44937 
1 1 1 27 4  43 o 15.901  5.0177 0.6123   2.3301  14.365  6.6680 17.436  7.4999 -3.071519      10.03544 
1 1 1 27 5  0  o 411.632 4.1270 1697.02  33.968  411.632 4.1270 ?       ?      0.000000       0.000000 
1 1 1 27 5  2  o 280.194 2.2479 786.263  8.9070  279.782 3.1950 280.606 3.1629 -0.8233032     4.495759 
1 1 1 27 5  4  o 181.336 1.7802 329.140  4.5651  181.705 2.5301 180.968 2.5051 0.7369690      3.560422 
1 1 1 27 5  6  o 79.318  1.5422 62.462   1.6861  81.683  2.4232 76.953  1.9084 4.730827       3.084468 
1 1 1 27 5  8  o 115.178 1.6368 132.437  2.6033  116.382 2.5785 113.974 2.0168 2.408714       3.273587 
1 1 1 27 5  10 f 41.377  2.8014 17.207   1.6125  40.979  4.3628 41.775  3.5154 -0.7967720     5.602852 
1 1 1 27 5  12 o 107.284 1.5387 114.864  2.3091  105.419 1.9987 109.148 2.3400 -3.728683      3.077400 
1 1 1 27 5  14 o 151.335 1.8096 228.648  3.7246  149.976 2.1287 152.694 2.9271 -2.718277      3.619300 
1 1 1 27 5  16 o 73.944  1.8757 54.962   1.9344  75.422  2.3704 72.467  2.9076 2.954445       3.751422 
1 1 1 27 5  18 o 131.746 1.6189 175.284  2.9275  135.912 1.9262 127.580 2.6025 8.331604       3.237728 
1 1 1 27 5  20 o 126.707 1.7833 161.655  3.1216  129.182 2.1748 124.232 2.8268 4.950378       3.566573 
1 1 1 27 5  22 o 157.072 1.7809 248.157  3.8954  159.730 2.2385 154.414 2.7705 5.315521       3.561816 
1 1 1 27 5  24 o 52.657  2.4853 28.242   1.8147  56.492  3.0517 48.822  3.9235 7.670277       4.970565 
1 1 1 27 5  26 o 74.138  2.6328 57.426   2.4437  79.458  2.4911 68.818  4.6391 10.64065       5.265615 
1 1 1 27 5  28 o 13.467  4.3254 -1.9429  1.7673  12.385  5.6718 14.549  6.5319 -2.164695      8.650743 
1 1 1 27 5  30 o 48.381  3.1771 23.880   2.1709  46.930  4.6259 49.833  4.3564 -2.903412      6.354299 
1 1 1 27 5  32 o 40.160  3.2732 16.601   1.8517  42.227  4.3850 38.094  4.8608 4.133698       6.546424 
1 1 1 27 5  34 o 58.551  2.5045 34.980   2.0629  60.675  3.6832 56.427  3.3947 4.247894       5.008969 
1 1 1 27 5  36 o 52.065  2.8211 28.427   2.0412  56.478  3.5047 47.652  4.4217 8.825089       5.642212 
1 1 1 27 5  38 o 21.691  5.5247 5.2357   2.1690  21.632  7.7068 21.750  7.9180 -0.1178818     11.04940 
1 1 1 27 5  40 o 24.950  5.2649 7.6876   2.0746  28.777  7.3062 21.123  7.5827 7.653759       10.52988 
1 1 1 27 5  42 o 16.505  4.9466 1.9277   2.0108  15.792  6.8853 17.218  7.1040 -1.425340      9.893141 
1 1 1 27 6  1  o 430.646 3.0976 1858.71  18.852  422.024 4.3422 439.268 4.4188 -17.24341      6.195220 
1 1 1 27 6  3  o 326.853 2.4798 1070.38  11.457  327.436 3.5685 326.269 3.4443 1.166321       4.959592 
1 1 1 27 6  5  o 140.831 1.6059 198.523  3.1810  140.755 2.4042 140.906 2.1298 -0.1511383     3.211887 
1 1 1 27 6  7  o 104.376 1.5002 108.674  2.1654  102.980 1.8601 105.771 2.3543 -2.790848      3.000435 
1 1 1 27 6  9  o 103.349 1.6114 106.347  2.2566  101.731 1.8829 104.968 2.6156 -3.236870      3.222874 
1 1 1 27 6  11 o 172.986 1.7879 299.793  4.2817  173.364 2.2098 172.608 2.8114 0.7558899      3.575897 
1 1 1 27 6  13 f 80.571  1.7178 64.897   1.9218  80.027  2.1542 81.114  2.6764 -1.086914      3.435633 
1 1 1 27 6  15 f 63.099  1.8770 39.477   1.5987  61.346  2.1857 64.853  3.0521 -3.506195      3.754019 
1 1 1 27 6  17 o 61.401  1.7718 37.863   1.5324  64.572  2.3732 58.229  2.6317 6.343380       3.543694 
1 1 1 27 6  19 o 28.741  3.9493 9.1456   1.4455  33.638  3.6065 23.844  7.0272 9.794079       7.898672 
1 1 1 27 6  21 o 54.936  3.0756 31.241   2.0523  57.536  2.7744 52.337  5.4899 5.198734       6.151147 
1 1 1 27 6  23 o 99.576  1.7600 99.827   2.4379  101.526 2.2012 97.627  2.7469 3.899254       3.520045 
1 1 1 27 6  25 o 137.440 1.7167 189.987  3.3092  140.481 2.2271 134.398 2.6130 6.082809       3.433305 
1 1 1 27 6  27 f 46.179  3.1291 22.072   1.9464  49.300  3.4969 43.058  5.1901 6.241539       6.258263 
1 1 1 27 6  29 o 57.926  2.5827 34.032   2.1071  60.957  3.4566 54.895  3.8384 6.062511       5.165396 
1 1 1 27 6  31 o 78.792  2.0345 62.667   2.2662  77.263  2.8924 80.321  2.8618 -3.058090      4.068913 
1 1 1 27 6  33 o 51.191  2.8815 27.016   2.0707  52.752  3.7522 49.630  4.3742 3.122185       5.763027 
1 1 1 27 6  35 o 31.251  4.3757 10.872   1.8787  34.188  5.2293 28.314  7.0172 5.874052       8.751381 
1 1 1 27 6  37 o 29.380  5.3972 10.403   2.2555  29.543  7.1901 29.216  8.0511 0.3272076      10.79432 
1 1 1 27 6  39 o 21.942  5.4925 5.2808   2.1033  17.632  6.9338 26.252  8.5202 -8.619888      10.98500 
1 1 1 27 6  41 o 26.403  5.4566 9.1160   2.1180  27.283  6.4188 25.524  8.8259 1.759239       10.91319 
1 1 1 27 6  43 o 18.710  5.3787 4.0864   2.2348  19.401  7.7131 18.018  7.4985 1.382954       10.75733 
1 1 1 27 7  0  o 596.389 6.3289 3570.26  75.471  596.389 6.3289 ?       ?      0.000000       0.000000 
1 1 1 27 7  2  o 382.111 3.0706 1464.91  16.332  381.991 4.7638 382.231 3.8755 -0.2397766     6.141119 
1 1 1 27 7  4  o 103.522 1.5507 107.334  2.2626  104.266 2.0821 102.778 2.2986 1.488014       3.101405 
1 1 1 27 7  6  o 138.372 1.5966 191.067  3.0227  136.962 1.9114 139.781 2.5580 -2.819153      3.193240 
1 1 1 27 7  8  o 54.629  1.7826 29.852   1.2648  54.528  1.8735 54.730  3.0333 -0.2021446     3.565220 
1 1 1 27 7  10 o 44.921  1.8694 19.939   1.1390  43.156  2.2193 46.685  3.0089 -3.528427      3.738818 
1 1 1 27 7  12 o 89.974  1.4594 81.066   1.8429  90.299  1.9092 89.649  2.2079 0.6497192      2.918871 
1 1 1 27 7  14 o 106.262 1.4576 113.558  2.1540  108.823 1.8189 103.700 2.2782 5.123665       2.915204 
1 1 1 27 7  16 o 80.481  1.7859 65.395   2.0067  84.811  2.2586 76.151  2.7670 8.659943       3.571718 
1 1 1 27 7  18 o 97.063  1.8771 94.195   2.4966  96.273  2.2550 97.852  3.0016 -1.579018      3.754243 
1 1 1 27 7  20 o 123.316 1.7296 152.323  2.9670  123.009 2.1801 123.623 2.6858 -0.6148224     3.459212 
1 1 1 27 7  22 o 91.365  1.7483 83.754   2.1892  91.575  2.0917 91.155  2.8019 0.4205093      3.496531 
1 1 1 27 7  24 o 52.204  2.7709 27.620   1.9702  53.356  3.2311 51.053  4.5024 2.303150       5.541802 
1 1 1 27 7  26 o 17.995  4.5413 1.7646   1.7274  22.106  6.5031 13.883  6.3405 8.222761       9.082511 
1 1 1 27 7  28 o 44.821  3.1786 20.732   1.8841  46.791  3.4114 42.850  5.3643 3.940964       6.357161 
1 1 1 27 7  30 o 36.042  4.5976 13.713   2.2123  36.175  7.4896 35.908  5.3345 0.2671509      9.195182 
1 1 1 27 7  32 o 47.282  2.9578 22.731   1.9608  49.268  4.4064 45.295  3.9470 3.972431       5.915654 
1 1 1 27 7  34 o 21.928  5.2999 5.1739   1.9773  21.961  7.3790 21.895  7.6097 0.6551743E-01  10.59986 
1 1 1 27 7  36 o 29.842  4.6481 10.099   1.9134  27.317  6.7975 32.367  6.3414 -5.050640      9.296247 
1 1 1 27 7  38 o 17.332  5.0243 2.0432   1.9794  16.326  6.9381 18.338  7.2689 -2.011490      10.04858 
1 1 1 27 7  40 o 13.226  4.3248 -1.9176  1.8841  13.515  6.3858 12.937  5.8340 0.5776014      8.649518 
1 1 1 27 7  42 o 15.616  4.6213 0.0000   1.9794  11.338  5.5103 19.894  7.4205 -8.556021      9.242676 
1 1 1 27 8  1  o 238.951 2.9492 569.342  9.2579  235.785 3.1954 242.117 4.9579 -6.331253      5.898432 
1 1 1 27 8  3  o 273.350 2.5270 748.955  9.7675  271.420 3.5522 275.280 3.5952 -3.859772      5.054070 
1 1 1 27 8  5  o 80.428  1.9218 65.122   2.1690  76.495  2.9214 84.362  2.4977 -7.866257      3.843582 
1 1 1 27 8  7  o 209.100 2.2382 438.375  6.5960  207.799 3.3185 210.401 3.0043 -2.602142      4.476456 
1 1 1 27 8  9  o 224.606 1.9150 502.466  5.8715  220.626 2.2863 228.585 3.0726 -7.958984      3.829906 
1 1 1 27 8  11 o 115.911 1.4322 134.438  2.2951  115.813 1.7642 116.009 2.2566 -0.1962509     2.864399 
1 1 1 27 8  13 o 39.549  2.2297 16.003   1.2098  43.589  2.6367 35.509  3.5963 8.080391       4.459323 
1 1 1 27 8  15 o 76.593  1.5537 59.302   1.6503  80.268  1.9091 72.918  2.4518 7.349968       3.107427 
1 1 1 27 8  17 o 77.416  1.5039 60.125   1.5975  77.925  1.8026 76.906  2.4077 1.019257       3.007737 
1 1 1 27 8  19 o 59.965  1.9627 35.906   1.6380  58.760  2.4992 61.170  3.0271 -2.409927      3.925488 
1 1 1 27 8  21 o 49.716  2.1819 24.838   1.5324  48.368  3.1682 51.065  3.0009 -2.697010      4.363842 
1 1 1 27 8  23 o 35.400  3.9801 13.151   1.8571  37.987  4.3702 32.813  6.6534 5.174129       7.960264 
1 1 1 27 8  25 o 17.104  4.6437 1.9794   1.5963  15.914  6.4433 18.294  6.6888 -2.380189      9.287407 
1 1 1 27 8  27 o 39.291  4.9436 17.223   2.2389  43.661  3.9485 34.921  9.0646 8.740097       9.887290 
1 1 1 27 8  29 o 30.632  4.4555 10.101   1.8701  33.662  5.1215 27.602  7.2922 6.059284       8.911000 
1 1 1 27 8  31 o 45.390  2.9300 21.229   1.8318  47.176  3.5189 43.604  4.6859 3.572857       5.860085 
1 1 1 27 8  33 o 29.731  5.4178 10.103   2.2702  27.547  7.2989 31.915  8.0087 -4.367300      10.83569 
1 1 1 27 8  35 o 37.233  4.1126 14.731   2.1240  34.585  5.3539 39.880  6.2441 -5.295364      8.225174 
1 1 1 27 8  37 o 29.482  5.4852 10.569   2.3266  30.901  7.3327 28.063  8.1598 2.838037       10.97043 
1 1 1 27 8  39 o 32.975  5.1949 13.236   2.3469  31.491  7.0680 34.459  7.6152 -2.967367      10.38974 
1 1 1 27 8  41 o 21.025  5.2773 5.6188   1.9608  21.055  7.1288 20.995  7.7832 0.6008720E-01  10.55454 
1 1 1 27 9  0  o 113.220 4.2995 128.978  9.7053  113.220 4.2995 ?       ?      0.000000       0.000000 
1 1 1 27 9  2  o 235.712 3.1807 557.786  10.590  235.213 4.3705 236.211 4.6223 -0.9988098     6.361357 
1 1 1 27 9  4  o 184.582 2.3904 344.360  5.7215  187.960 2.4798 181.205 4.0874 6.755127       4.780878 
1 1 1 27 9  6  o 245.464 2.8267 603.458  9.6485  243.461 3.5668 247.467 4.3863 -4.006149      5.653412 
1 1 1 27 9  8  o 203.290 2.1998 414.153  6.3154  203.120 3.2064 203.460 3.0127 -0.3399353     4.399678 
1 1 1 27 9  10 o 42.960  1.7826 18.768   1.0293  44.900  1.9909 41.020  2.9575 3.880360       3.565148 
1 1 1 27 9  12 o 130.380 1.5610 171.046  2.7979  132.942 1.8731 127.817 2.4977 5.125130       3.122054 
1 1 1 27 9  14 o 185.879 1.8721 346.708  4.7317  186.909 2.1863 184.850 3.0397 2.059280       3.744282 
1 1 1 27 9  16 o 113.442 1.6279 128.514  2.5193  112.373 1.9319 114.510 2.6207 -2.136467      3.255805 
1 1 1 27 9  18 o 57.097  2.3391 33.605   1.7923  61.820  2.5821 52.374  3.9012 9.445580       4.678291 
1 1 1 27 9  20 o 75.962  1.9753 58.595   2.0354  78.937  2.2649 72.987  3.2368 5.950119       3.950519 
1 1 1 27 9  22 o 69.098  2.0694 48.526   1.9464  71.997  2.3945 66.199  3.3758 5.797585       4.138818 
1 1 1 27 9  24 o 42.975  3.2430 18.156   1.9052  38.979  4.0952 46.970  5.0297 -7.991100      6.486025 
1 1 1 27 9  26 o 31.761  4.1885 10.575   1.7923  32.658  4.8878 30.863  6.8032 1.794909       8.376975 
1 1 1 27 9  28 o 76.137  2.1816 58.256   2.2776  75.229  2.6311 77.045  3.4807 -1.815178      4.363283 
1 1 1 27 9  30 o 17.491  4.8858 1.8729   1.8192  18.917  7.0531 16.065  6.7632 2.851547       9.771700 
1 1 1 27 9  32 o 18.919  4.9765 3.0357   1.8057  16.062  6.5461 21.776  7.4973 -5.713766      9.952958 
1 1 1 27 9  34 o 20.696  4.7847 4.0125   1.8147  14.961  6.4199 26.431  7.0964 -11.47010      9.569441 
1 1 1 27 9  36 o 12.738  4.1952 -3.1611  1.9050  13.395  5.9986 12.081  5.8664 1.313584       8.390369 
1 1 1 27 9  38 o 15.166  4.7611 -0.1776  2.0412  15.350  6.7340 14.982  6.7325 0.3681374      9.522204 
1 1 1 27 9  40 o 19.831  5.5679 4.3733   2.2776  18.767  7.3152 20.894  8.3960 -2.127012      11.13573 
1 1 1 27 9  42 o 14.507  4.6956 -0.5446  2.1690  15.498  6.9497 13.516  6.3162 1.982780       9.391130 
1 1 1 27 10 1  o 69.149  4.0222 48.087   3.9058  68.629  5.3031 69.669  6.0488 -1.039658      8.044329 
1 1 1 27 10 3  o 86.406  2.9256 74.856   3.5711  84.718  4.0699 88.094  4.2038 -3.376755      5.851170 
1 1 1 27 10 5  f 142.905 2.0138 204.748  3.6441  143.191 2.0066 142.619 3.4921 0.5721283      4.027521 
1 1 1 27 10 7  f 142.656 2.1557 201.767  3.9520  139.750 2.2388 145.562 3.6846 -5.811295      4.311458 
1 1 1 27 10 9  o 94.467  2.4260 89.108   2.7805  93.957  2.2426 94.976  4.3026 -1.018639      4.851953 
1 1 1 27 10 11 o 167.061 1.8996 282.227  3.9340  169.899 1.8039 164.223 3.3437 5.676086       3.799276 
1 1 1 27 10 13 o 192.539 1.7373 371.150  4.6146  192.295 2.1251 192.783 2.7490 -0.4875031     3.474615 
1 1 1 27 10 15 o 41.129  2.5271 17.035   1.3792  41.471  2.7714 40.787  4.2267 0.6836052      5.054254 
1 1 1 27 10 17 o 137.376 1.5492 189.220  2.9887  138.298 2.0314 136.455 2.3396 1.843155       3.098465 
1 1 1 27 10 19 o 132.591 1.7011 176.328  3.1061  132.921 2.0656 132.261 2.7035 0.6599426      3.402234 
1 1 1 27 10 21 o 169.442 1.7713 288.385  4.1667  170.662 2.2074 168.221 2.7708 2.440933       3.542583 
1 1 1 27 10 23 f 98.796  1.6922 97.810   2.3556  98.132  2.2773 99.460  2.5037 -1.327492      3.384467 
1 1 1 27 10 25 o 22.725  4.7362 5.4335   1.6276  22.174  6.8229 23.277  6.5708 -1.103447      9.472486 
1 1 1 27 10 27 o 53.489  2.6520 28.386   1.9702  47.136  3.6574 59.841  3.8412 -12.70514      5.303906 
1 1 1 27 10 29 o 23.764  5.0928 5.7227   1.7921  19.478  6.4610 28.051  7.8742 -8.573578      10.18569 
1 1 1 27 10 31 o 22.776  5.6804 4.5636   2.3994  17.450  7.3335 28.101  8.6768 -10.65139      11.36077 
1 1 1 27 10 33 o 48.636  2.7433 24.397   1.8787  48.844  3.6603 48.428  4.0873 0.4161034      5.486653 
1 1 1 27 10 35 f 23.724  5.0434 6.3662   1.9469  28.021  6.8778 19.428  7.3782 8.593111       10.08671 
1 1 1 27 10 37 o 21.421  5.3311 5.2378   2.0108  21.583  7.4909 21.259  7.5875 0.3237362      10.66229 
1 1 1 27 10 39 o 14.066  4.4133 -0.4470  1.7878  15.485  6.5877 12.647  5.8745 2.837767       8.826513 
1 1 1 27 10 41 o 24.574  5.5685 8.4100   2.4081  28.881  7.2905 20.267  8.4192 8.613829       11.13710 
1 1 1 27 11 0  o 126.800 5.9192 162.436  14.941  126.800 5.9192 ?       ?      0.000000       0.000000 
1 1 1 27 11 2  o 60.098  5.3218 36.860   4.4686  64.889  6.7896 55.306  8.1968 9.582489       10.64362 
1 1 1 27 11 4  o 76.688  4.5058 59.328   4.8827  76.301  6.5273 77.076  6.2131 -0.7751389     9.011518 
1 1 1 27 11 6  o 101.324 2.9978 102.204  3.4992  100.311 2.5461 102.336 5.4282 -2.024605      5.995656 
1 1 1 27 11 8  o 91.844  3.0097 84.401   3.2630  91.531  2.6508 92.156  5.4042 -0.6251068     6.019328 
1 1 1 27 11 10 o 104.948 2.5129 110.858  3.0927  105.589 2.1770 104.307 4.5298 1.281631       5.025795 
1 1 1 27 11 12 o 147.424 2.2360 217.237  3.6573  146.975 1.7812 147.873 4.1020 -0.8986206     4.472046 
1 1 1 27 11 14 o 124.074 2.2698 155.054  3.0582  124.809 1.7394 123.340 4.1932 1.468399       4.539643 
1 1 1 27 11 16 o 88.697  2.1266 76.593   2.0820  85.495  1.7177 91.898  3.8908 -6.403603      4.253142 
1 1 1 27 11 18 o 137.380 1.8776 190.860  3.1984  139.459 1.7856 135.301 3.3034 4.158096       3.755112 
1 1 1 27 11 20 o 182.497 2.1231 336.966  4.8238  185.092 2.0353 179.902 3.7266 5.190430       4.246213 
1 1 1 27 11 22 o 145.001 2.1395 208.954  3.5845  143.095 1.8295 146.906 3.8682 -3.810913      4.279047 
1 1 1 27 11 24 o 22.868  5.1469 5.0530   1.7171  23.552  5.2819 22.184  8.8353 1.368126       10.29372 
1 1 1 27 11 26 o 33.619  5.0747 13.038   1.8885  38.296  3.5013 28.941  9.5263 9.355959       10.14933 
1 1 1 27 11 28 o 49.000  3.3339 24.776   2.0358  50.010  3.1919 47.989  5.8543 2.020943       6.667862 
1 1 1 27 11 30 o 46.227  3.4199 21.243   1.9988  43.407  3.5303 49.046  5.8583 -5.639034      6.839811 
1 1 1 27 11 32 o 18.622  5.4175 1.8364   2.0684  14.261  6.1499 22.982  8.9206 -8.721311      10.83503 
1 1 1 27 11 34 o 16.749  5.0254 0.5608   2.1246  17.558  6.9244 15.941  7.2850 1.617060       10.05079 
1 1 1 27 11 36 o 33.603  5.6958 14.346   2.4966  39.025  4.7448 28.181  10.357 10.84433       11.39168 
1 1 1 27 11 38 o 21.277  5.8135 4.8510   2.1337  18.793  6.5845 23.761  9.5829 -4.967932      11.62704 
1 1 1 27 11 40 o 27.799  5.3368 10.179   2.1240  28.259  6.6547 27.338  8.3451 0.9213314      10.67359 
1 1 1 27 12 1  o 92.324  3.2060 85.350   4.1527  90.593  4.2288 94.056  4.8199 -3.462891      6.412044 
1 1 1 27 12 3  o 106.882 2.9143 114.538  4.4020  104.682 4.0866 109.082 4.1560 -4.399597      5.828596 
1 1 1 27 12 5  f 164.874 2.7681 272.010  6.4084  167.738 4.1491 162.011 3.6652 5.727737       5.536190 
1 1 1 27 12 7  o 35.074  4.9175 12.500   1.4930  35.167  2.7235 34.981  9.4504 0.1853600      9.835021 
1 1 1 27 12 9  o 71.943  2.2714 50.573   1.9721  69.162  2.1234 74.724  4.0161 -5.561951      4.542834 
1 1 1 27 12 11 o 101.814 2.0977 102.481  2.7875  98.832  2.2612 104.795 3.5339 -5.962799      4.195366 
1 1 1 27 12 13 o 139.865 1.9592 194.737  3.2047  138.565 1.7050 141.165 3.5280 -2.600082      3.918391 
1 1 1 27 12 15 o 129.233 2.0479 168.779  3.0927  130.738 1.7582 127.727 3.6992 3.010551       4.095798 
1 1 1 27 12 17 o 114.645 2.4659 131.786  2.8822  114.560 1.7278 114.731 4.6192 -0.1707993     4.931716 
1 1 1 27 12 19 o 42.398  3.9758 19.057   1.7682  44.547  2.8666 40.249  7.4168 4.297760       7.951546 
1 1 1 27 12 21 o 42.761  4.0091 17.294   1.8543  39.373  3.2433 46.149  7.3329 -6.775501      8.018180 
1 1 1 27 12 23 o 76.982  2.8738 62.192   2.2751  80.593  1.9806 73.371  5.3955 7.221779       5.747540 
1 1 1 27 12 25 o 32.925  5.0420 11.153   1.9389  32.317  4.3467 33.534  9.0991 -1.217312      10.08401 
1 1 1 27 12 27 o 29.238  5.4566 8.9985   2.0117  28.399  5.3668 30.078  9.5024 -1.678535      10.91321 
1 1 1 27 12 29 o 24.915  5.8903 5.8278   1.9503  20.480  6.0982 29.351  10.080 -8.871315      11.78070 
1 1 1 27 12 31 o 20.052  5.0729 3.2921   2.0188  22.925  6.6031 17.178  7.7029 5.747452       10.14573 
1 1 1 27 12 33 o 17.974  5.0580 2.0108   1.9670  18.878  6.5874 17.071  7.6772 1.807482       10.11597 
1 1 1 27 12 35 o 17.881  5.4052 1.6147   2.2230  16.199  6.6477 19.563  8.5249 -3.364731      10.81041 
1 1 1 27 12 37 o 24.624  5.9812 7.3873   2.3439  21.907  7.2550 27.342  9.5112 -5.434835      11.96233 
1 1 1 27 12 39 o 16.232  5.1329 0.7455   2.2520  14.030  6.3075 18.433  8.0996 -4.403358      10.26586 
1 1 1 27 12 41 o 17.590  5.2602 2.8183   2.2968  15.644  6.9839 19.536  7.8679 -3.892525      10.52042 
1 1 1 27 13 0  o 94.454  5.5147 90.412   10.344  94.454  5.5147 ?       ?      0.000000       0.000000 
1 1 1 27 13 2  o 59.675  4.9502 35.753   4.1527  63.474  7.1421 55.877  6.8562 7.596546       9.900365 
1 1 1 27 13 4  o 130.402 2.6833 170.604  4.9482  130.111 3.7787 130.693 3.8107 -0.5820313     5.366548 
1 1 1 27 13 6  f 179.804 2.8763 324.596  7.3040  179.960 4.1867 179.649 3.9451 0.3102875      5.752606 
1 1 1 27 13 8  o 79.508  3.0188 64.287   2.3524  80.659  1.9790 78.357  5.7041 2.302429       6.037641 
1 1 1 27 13 10 o 44.219  4.5211 20.325   1.8819  45.288  2.8197 43.149  8.5914 2.138783       9.042289 
1 1 1 27 13 12 o 61.552  2.9561 38.087   1.7240  61.651  1.8642 61.453  5.6106 0.1975403      5.912224 
1 1 1 27 13 14 o 29.996  5.1253 8.6741   1.4142  28.758  3.1083 31.234  9.7680 -2.475336      10.25060 
1 1 1 27 13 16 f 118.013 2.3466 141.848  2.9725  120.152 1.7537 115.873 4.3532 4.279274       4.693150 
1 1 1 27 13 18 o 107.168 2.3791 113.727  2.7364  105.443 1.8166 108.894 4.3977 -3.450256      4.758121 
1 1 1 27 13 20 o 67.490  2.8941 46.174   1.9597  68.116  1.9685 66.863  5.4432 1.252975       5.788187 
1 1 1 27 13 22 o 46.018  3.6977 21.290   1.9389  45.476  3.0889 46.561  6.7195 -1.085247      7.395475 
1 1 1 27 13 24 f 33.141  5.2265 12.232   1.9742  36.408  3.8582 29.873  9.7149 6.534956       10.45303 
1 1 1 27 13 26 o 51.663  3.6930 28.922   2.0841  55.836  2.7445 47.489  6.8571 8.347412       7.385963 
1 1 1 27 13 28 o 21.063  5.5955 3.5891   2.1844  21.258  6.8662 20.867  8.8372 0.3902245      11.19107 
1 1 1 27 13 30 o 19.070  5.3727 2.6854   1.9721  17.649  6.4193 20.490  8.6172 -2.841158      10.74539 
1 1 1 27 13 32 o 27.500  5.3955 9.0157   2.2714  31.781  6.0442 23.218  8.9395 8.563141       10.79105 
1 1 1 27 13 34 o 41.562  3.8437 18.383   2.1180  39.984  4.3116 43.140  6.3643 -3.155811      7.687324 
1 1 1 27 13 36 o 18.025  5.2190 2.4226   2.0691  17.908  6.7699 18.142  7.9449 -0.2336349     10.43806 
1 1 1 27 13 38 o 15.594  4.9247 0.3109   2.1246  14.171  6.2907 17.016  7.5788 -2.845157      9.849365 
1 1 1 27 13 40 o 18.958  5.4594 4.1822   2.2543  17.474  7.1390 20.441  8.2616 -2.966768      10.91876 
1 1 1 27 14 1  o 134.722 2.8311 181.953  5.3861  130.551 3.9616 138.893 4.0454 -8.342972      5.662132 
1 1 1 27 14 3  f 135.191 3.0057 183.623  5.7458  135.562 4.2862 134.820 4.2150 0.7414398      6.011440 
1 1 1 27 14 5  o 109.154 3.2075 119.871  4.9482  107.482 4.6336 110.825 4.4363 -3.342239      6.414901 
1 1 1 27 14 7  o 120.356 2.1711 143.107  2.9383  118.141 1.7835 122.571 3.9590 -4.430489      4.342231 
1 1 1 27 14 9  o 86.353  2.5194 75.555   2.5100  87.540  2.1152 85.167  4.5732 2.373360       5.038714 
1 1 1 27 14 11 o 59.541  3.4127 36.233   2.1678  60.680  2.5254 58.402  6.3411 2.277294       6.825447 
1 1 1 27 14 13 o 57.100  2.8382 32.355   1.6717  56.344  2.0398 57.857  5.2972 -1.513447      5.676403 
1 1 1 27 14 15 o 123.248 2.2641 153.376  3.0469  124.220 1.7476 122.276 4.1775 1.944092       4.528294 
1 1 1 27 14 17 o 135.701 2.2777 184.885  3.4007  135.787 1.7869 135.615 4.1903 0.1715851      4.555378 
1 1 1 27 14 19 o 75.615  3.0830 58.945   2.3250  77.640  2.0560 73.590  5.8132 4.049469       6.166094 
1 1 1 27 14 21 o 21.821  4.6680 4.5972   1.6090  24.925  4.7817 18.717  8.0185 6.208094       9.336015 
1 1 1 27 14 23 o 33.377  5.2512 12.055   2.0364  35.321  4.1578 31.433  9.6444 3.887457       10.50246 
1 1 1 27 14 25 o 36.049  4.6724 13.310   1.9265  34.913  4.0234 37.184  8.4344 -2.270958      9.344896 
1 1 1 27 14 27 o 23.079  5.7101 5.1512   2.1140  21.870  6.6825 24.289  9.2609 -2.418829      11.42017 
1 1 1 27 14 29 o 16.251  5.0576 -0.0182  2.0523  14.431  6.1846 18.071  8.0043 -3.640306      10.11523 
1 1 1 27 14 31 o 31.738  5.1999 12.224   2.2902  37.978  4.8756 25.498  9.1860 12.47958       10.39974 
1 1 1 27 14 33 o 27.395  5.0509 9.0794   1.9857  32.214  4.5588 22.576  9.0146 9.638361       10.10173 
1 1 1 27 14 35 o 22.304  5.1812 5.4221   1.8590  17.140  6.4970 27.467  8.0727 -10.32696      10.36240 
1 1 1 27 14 37 o 20.567  5.1550 4.5202   1.9986  15.896  6.7308 25.238  7.8098 -9.342056      10.31000 
1 1 1 27 14 39 o 19.794  5.3784 4.4085   2.0013  15.218  6.3356 24.369  8.6931 -9.150947      10.75687 
1 1 1 27 15 0  o 146.927 4.1794 216.964  12.259  146.927 4.1794 ?       ?      0.000000       0.000000 
1 1 1 27 15 2  o 87.587  3.9296 77.555   4.8392  86.414  5.9111 88.760  5.1794 -2.346420      7.859232 
1 1 1 27 15 4  o 37.335  5.7903 14.787   3.0635  43.875  6.8399 30.794  9.3448 13.08053       11.58055 
1 1 1 27 15 6  f 61.584  4.3595 38.878   3.7284  56.834  6.8531 66.335  5.3903 -9.501087      8.718978 
1 1 1 27 15 8  o 148.044 2.3665 216.264  4.1996  144.330 2.1677 151.759 4.2074 -7.429260      4.732962 
1 1 1 27 15 10 o 142.687 2.2556 203.855  4.1875  142.028 2.3827 143.347 3.8307 -1.318985      4.511236 
1 1 1 27 15 12 o 93.505  2.7327 87.241   2.9622  92.600  2.3444 94.409  4.9371 -1.809113      5.465453 
1 1 1 27 15 14 o 41.817  5.2912 20.622   1.6241  47.086  2.1697 36.548  10.358 10.53776       10.58239 
1 1 1 27 15 16 o 44.873  4.2076 20.592   1.7240  45.134  2.5464 44.611  8.0208 0.5237122      8.415291 
1 1 1 27 15 18 f 49.043  3.8326 22.463   1.9778  44.675  3.0014 53.411  7.0532 -8.736065      7.665259 
1 1 1 27 15 20 o 39.981  5.3406 19.350   1.9778  46.729  2.8694 33.233  10.289 13.49563       10.68123 
1 1 1 27 15 22 o 77.298  2.4468 62.819   2.2389  82.437  2.0912 72.158  4.4244 10.27925       4.893692 
1 1 1 27 15 24 o 37.604  5.3000 15.757   2.0927  40.478  3.6280 34.730  9.9599 5.748398       10.60007 
1 1 1 27 15 26 o 20.511  5.5082 3.3307   2.0572  19.987  6.6000 21.036  8.8204 -1.049625      11.01635 
1 1 1 27 15 28 o 25.999  5.8071 7.4940   2.2583  24.989  6.9217 27.010  9.3264 -2.021772      11.61426 
1 1 1 27 15 30 o 21.579  5.6415 4.2555   1.9389  16.793  6.2537 26.365  9.3912 -9.572237      11.28290 
1 1 1 27 15 32 o 18.823  5.5869 2.1192   2.4312  17.768  7.2551 19.878  8.4981 -2.110523      11.17388 
1 1 1 27 15 34 o 20.056  5.7787 3.2324   2.3609  15.911  6.7337 24.201  9.3930 -8.289730      11.55732 
1 1 1 27 15 36 o 18.936  5.4930 3.1628   2.1377  16.527  6.6205 21.346  8.7672 -4.819263      10.98608 
1 1 1 27 15 38 o 21.675  5.3836 5.5219   2.4312  26.325  7.4349 17.024  7.7882 9.301538       10.76727 
1 1 1 27 16 1  o 84.572  3.9351 72.010   4.6302  86.163  6.0765 82.980  5.0015 3.183304       7.870164 
1 1 1 27 16 3  o 84.310  3.6946 71.559   4.3825  86.485  5.4633 82.136  4.9752 4.348190       7.389200 
1 1 1 27 16 5  o 185.788 2.8768 345.201  7.5069  194.142 4.2426 177.434 3.8864 16.70851       5.753628 
1 1 1 27 16 7  o 138.594 3.3163 193.181  6.4115  140.364 5.0948 136.824 4.2466 3.540298       6.632539 
1 1 1 27 16 9  o 147.943 2.5316 217.304  4.5121  145.350 2.3282 150.535 4.4961 -5.185257      5.063119 
1 1 1 27 16 11 o 92.755  2.7909 88.748   2.8897  95.917  2.1968 89.593  5.1312 6.324158       5.581709 
1 1 1 27 16 13 o 26.365  5.0282 6.6546   1.3905  25.446  3.5129 27.285  9.4228 -1.838512      10.05637 
1 1 1 27 16 15 o 38.604  4.3873 12.440   1.5164  31.290  3.0609 45.918  8.2235 -14.62818      8.774681 
1 1 1 27 16 17 o 89.747  3.0095 82.348   2.5697  91.228  1.8897 88.266  5.7147 2.962120       6.019083 
1 1 1 27 16 19 o 88.844  2.3872 82.682   2.4545  94.006  1.9697 83.682  4.3492 10.32448       4.774426 
1 1 1 27 16 21 o 72.521  3.1603 55.946   2.4135  76.985  2.2393 68.057  5.9106 8.928085       6.320588 
1 1 1 27 16 23 o 83.046  2.2099 69.248   2.2544  82.472  2.0903 83.619  3.8943 -1.146210      4.419870 
1 1 1 27 16 25 o 80.884  3.1016 67.185   2.5170  81.886  2.1053 79.881  5.8350 2.005135       6.203209 
1 1 1 27 16 27 o 49.065  4.0171 25.545   2.2545  50.160  3.3097 47.970  7.3208 2.189728       8.034183 
1 1 1 27 16 29 o 17.872  5.2761 1.2545   1.8535  12.283  5.4507 23.461  9.0354 -11.17818      10.55224 
1 1 1 27 16 31 o 33.787  5.2675 13.432   2.2754  36.570  4.8887 31.004  9.3321 5.566101       10.53506 
1 1 1 27 16 33 o 38.372  5.0088 17.952   2.4732  45.322  4.7900 31.422  8.7982 13.90007       10.01760 
1 1 1 27 16 35 o 22.791  6.0623 6.0786   2.6335  23.542  7.6187 22.040  9.4320 1.501528       12.12466 
1 1 1 27 16 37 o 16.743  5.2478 1.1752   2.3762  15.976  6.8085 17.510  7.9878 -1.533123      10.49569 
1 1 1 27 17 0  o 53.234  6.9800 29.116   7.4067  53.234  6.9800 ?       ?      0.000000       0.000000 
1 1 1 27 17 2  f 104.738 3.4044 110.004  4.9925  108.606 5.1148 100.871 4.4942 7.734810       6.808797 
1 1 1 27 17 4  o 128.807 3.2088 166.740  5.8031  125.993 4.2569 131.620 4.8026 -5.627670      6.417666 
1 1 1 27 17 6  o 97.548  3.3265 96.839   4.5109  102.094 4.1277 93.003  5.2177 9.090813       6.653016 
1 1 1 27 17 8  o 126.996 2.2679 160.755  3.4762  125.613 2.0841 128.378 4.0286 -2.765526      4.535769 
1 1 1 27 17 10 o 242.397 2.6124 585.987  8.4688  236.981 2.9638 247.813 4.3029 -10.83192      5.224792 
1 1 1 27 17 12 o 230.477 2.7883 535.396  8.2765  231.206 2.8721 229.748 4.7801 1.458786       5.576622 
1 1 1 27 17 14 o 121.247 2.3750 146.759  3.0908  120.457 1.8022 122.038 4.3949 -1.580704      4.750075 
1 1 1 27 17 16 o 26.540  5.4850 6.8001   1.7240  24.945  4.7778 28.134  9.8749 -3.188976      10.97002 
1 1 1 27 17 18 o 49.006  5.0314 26.399   1.9736  52.160  2.4482 45.852  9.7604 6.308411       10.06276 
1 1 1 27 17 20 o 106.607 2.3504 116.116  2.7556  108.589 1.8228 104.625 4.3330 3.963287       4.700769 
1 1 1 27 17 22 f 128.442 2.2410 167.799  3.4054  130.109 1.9630 126.774 4.0292 3.335220       4.481965 
1 1 1 27 17 24 o 59.784  2.9085 37.225   2.0840  62.048  2.5726 57.521  5.2172 4.527008       5.817009 
1 1 1 27 17 26 o 44.199  5.2232 21.404   2.3057  45.239  3.5285 43.160  9.8324 2.079456       10.44633 
1 1 1 27 17 28 o 21.459  5.1806 4.0635   2.0170  24.185  5.8611 18.733  8.5441 5.452225       10.36115 
1 1 1 27 17 30 o 38.916  4.1204 15.984   2.1655  36.239  4.9334 41.593  6.6010 -5.354088      8.240823 
1 1 1 27 17 32 o 24.869  6.0862 7.4285   2.5789  22.393  8.0423 27.345  9.1373 -4.951921      12.17243 
1 1 1 27 17 34 o 33.741  4.9838 14.164   2.1044  38.339  4.3301 29.144  8.9779 9.195078       9.967573 
1 1 1 27 17 36 o 17.991  5.2999 2.2695   2.3762  19.544  7.2979 16.438  7.6876 3.105978       10.59988 
1 1 1 27 18 1  o 65.517  4.4248 43.674   4.0615  65.605  5.7422 65.428  6.7337 0.1776428      8.849558 
1 1 1 27 18 3  o 104.804 3.3249 111.348  4.8376  106.733 4.1277 102.875 5.2135 3.858406       6.649756 
1 1 1 27 18 5  o 178.605 3.0457 321.534  7.6875  181.796 4.3551 175.415 4.2588 6.380630       6.091334 
1 1 1 27 18 7  o 85.004  2.4088 73.747   1.9155  86.461  1.4770 83.546  4.5855 2.915726       4.817537 
1 1 1 27 18 9  o 32.485  5.8515 10.142   1.8903  30.838  3.9340 34.132  11.022 -3.294859      11.70298 
1 1 1 27 18 11 o 151.021 2.3167 230.204  4.5129  152.543 2.3859 149.499 3.9720 3.044067       4.633467 
1 1 1 27 18 13 o 120.130 1.9775 146.051  2.9052  121.809 1.8347 118.451 3.5038 3.357994       3.955068 
1 1 1 27 18 15 o 75.872  2.7999 57.069   2.0192  74.704  1.7949 77.040  5.3043 -2.336929      5.599724 
1 1 1 27 18 17 o 63.972  3.5750 42.179   2.1150  65.196  2.1546 62.748  6.8177 2.448059       7.150087 
1 1 1 27 18 19 o 72.913  2.9239 55.385   2.2535  75.568  2.1123 70.257  5.4529 5.311333       5.847728 
1 1 1 27 18 21 o 56.362  3.5166 32.369   2.0368  56.424  2.4896 56.300  6.5779 0.1237679      7.033216 
1 1 1 27 18 23 o 17.054  5.0033 0.8717   1.8137  16.510  5.9879 17.598  8.0174 -1.088238      10.00665 
1 1 1 27 18 25 o 24.089  5.6767 5.8565   2.1213  18.681  6.8222 29.496  9.0752 -10.81427      11.35347 
1 1 1 27 18 27 o 47.242  4.8709 24.874   2.4019  49.374  3.4916 45.110  9.0947 4.263931       9.741891 
1 1 1 27 18 29 o 43.981  5.1240 21.824   2.5100  45.393  4.0792 42.569  9.4011 2.823372       10.24794 
1 1 1 27 18 31 o 20.248  5.6481 3.7945   2.3384  20.122  7.3302 20.374  8.5950 -0.2515335     11.29626 
1 1 1 27 18 33 o 15.822  5.0450 -0.7832  2.3735  13.553  6.3525 18.090  7.8392 -4.536682      10.08996 
1 1 1 27 18 35 o 19.598  5.4883 4.4048   2.1907  18.444  7.0986 20.752  8.3723 -2.308285      10.97658 
1 1 1 27 18 37 o 16.754  5.1194 2.0833   2.2275  15.152  6.7725 18.357  7.6791 -3.204550      10.23885 
1 1 1 27 19 0  o 103.186 5.3521 108.035  10.982  103.186 5.3521 ?       ?      0.000000       0.000000 
1 1 1 27 19 2  o 79.658  3.9159 64.393   4.3064  79.957  4.7913 79.359  6.1953 0.5987091      7.831875 
1 1 1 27 19 4  o 140.688 3.0053 199.401  5.9412  141.605 4.5091 139.771 3.9743 1.833939       6.010576 
1 1 1 27 19 6  o 116.505 3.0831 136.989  5.0759  114.443 4.4634 118.567 4.2543 -4.123138      6.166101 
1 1 1 27 19 8  o 100.998 2.6556 101.005  3.0238  99.050  2.1917 102.946 4.8378 -3.895767      5.311153 
1 1 1 27 19 10 o 53.621  3.7683 29.209   2.0464  53.981  2.6022 53.260  7.0732 0.7206535      7.536656 
1 1 1 27 19 12 o 41.746  4.7175 17.012   2.1678  38.619  3.9680 44.873  8.5599 -6.253841      9.434918 
1 1 1 27 19 14 o 57.889  3.6241 33.983   1.7878  58.089  1.9785 57.689  6.9729 0.3999481      7.248185 
1 1 1 27 19 16 o 40.237  4.7271 18.396   1.7677  44.501  2.7261 35.973  9.0527 8.527832       9.454271 
1 1 1 27 19 18 o 60.764  4.1424 38.568   2.1656  62.256  2.2563 59.272  7.9716 2.983658       8.284734 
1 1 1 27 19 20 o 32.385  5.1522 10.606   1.8446  30.640  4.1677 34.129  9.4239 -3.488667      10.30440 
1 1 1 27 19 22 o 41.318  5.8162 20.192   2.2107  46.147  3.1824 36.490  11.189 9.656914       11.63235 
1 1 1 27 19 24 o 37.980  4.4920 16.203   1.9831  40.959  3.7413 35.001  8.1680 5.958397       8.984062 
1 1 1 27 19 26 o 17.152  5.2592 0.6770   2.2042  15.187  6.5280 19.117  8.2476 -3.930531      10.51844 
1 1 1 27 19 28 o 20.763  6.0064 3.3707   2.4115  16.805  6.8128 24.720  9.8941 -7.914482      12.01285 
1 1 1 27 19 30 o 23.509  6.2837 5.9724   2.5218  22.197  7.1210 24.821  10.355 -2.624870      12.56733 
1 1 1 27 19 32 o 24.925  5.7000 7.7328   2.1899  24.757  6.7707 25.092  9.1715 -0.3348827     11.39998 
1 1 1 27 19 34 o 16.190  4.9619 -0.8759  2.2123  10.707  5.2524 21.673  8.4199 -10.96615      9.923833 
1 1 1 27 19 36 o 13.900  4.5446 -2.0031  2.2183  15.469  6.8135 12.330  6.0157 3.139539       9.089168 
1 1 1 27 20 1  f 81.794  4.1923 67.629   4.8115  84.987  6.2358 78.602  5.6050 6.384422       8.384604 
1 1 1 27 20 3  o 105.737 3.4797 112.984  5.1942  107.436 5.0517 104.039 4.7870 3.396156       6.959489 
1 1 1 27 20 5  o 73.313  4.2254 55.369   4.2983  78.562  5.2015 68.064  6.6605 10.49828       8.450896 
1 1 1 27 20 7  o 69.287  2.9324 44.405   1.8775  63.759  1.9027 74.814  5.5475 -11.05435      5.864718 
1 1 1 27 20 9  o 60.973  3.2098 35.644   2.0557  57.395  2.4474 64.551  5.9348 -7.155972      6.419682 
1 1 1 27 20 11 o 80.958  2.7488 66.073   2.6953  80.826  2.5279 81.089  4.8819 -0.2628708     5.497599 
1 1 1 27 20 13 f 67.706  3.4510 47.922   2.0490  69.929  1.9175 65.484  6.6304 4.445190       6.902076 
1 1 1 27 20 15 o 27.228  5.2598 7.8766   1.6073  29.741  3.4350 24.715  9.9429 5.025438       10.51957 
1 1 1 27 20 17 o 41.062  4.9227 19.815   1.7948  46.428  2.6130 35.696  9.4923 10.73244       9.845394 
1 1 1 27 20 19 o 31.894  5.0300 12.011   1.7582  36.720  3.3038 27.068  9.5020 9.651541       10.06002 
1 1 1 27 20 21 o 27.199  5.7315 7.5003   1.9853  23.447  5.9729 30.951  9.7838 -7.503500      11.46292 
1 1 1 27 20 23 o 46.671  4.5970 25.892   2.1096  53.523  2.8631 39.819  8.7369 13.70461       9.194019 
1 1 1 27 20 25 f 49.991  3.5073 26.148   2.2067  49.718  3.4675 50.263  6.0976 -0.5449715     7.014522 
1 1 1 27 20 27 o 44.958  4.3525 20.488   2.4248  39.018  4.5821 50.898  7.4014 -11.88074      8.704940 
1 1 1 27 20 29 o 25.015  5.3468 6.7962   2.5231  31.198  6.1542 18.833  8.7452 12.36596       10.69361 
1 1 1 27 20 31 o 23.968  5.8596 6.9452   2.5250  26.415  7.0984 21.521  9.3248 4.894054       11.71918 
1 1 1 27 20 33 o 23.485  5.9269 7.2953   2.3264  20.838  7.2440 26.133  9.3829 -5.294834      11.85389 
1 1 1 27 20 35 o 18.848  5.4438 3.8294   2.3762  19.984  7.3252 17.711  8.0550 2.272972       10.88769 
1 1 1 27 21 0  o 80.159  6.3716 66.277   10.088  80.159  6.3716 ?       ?      0.000000       0.000000 
1 1 1 27 21 2  o 110.878 3.6037 125.013  5.6506  110.370 5.0909 111.385 5.1018 -1.015381      7.207357 
1 1 1 27 21 4  f 115.268 3.3179 135.116  5.3937  111.914 4.9066 118.622 4.4676 -6.708717      6.635813 
1 1 1 27 21 6  o 37.627  5.3286 14.350   1.2905  37.422  2.0475 37.831  10.459 -0.4087372     10.65729 
1 1 1 27 21 8  o 91.561  2.7965 81.480   2.5613  88.062  1.9577 95.059  5.2392 -6.996971      5.592992 
1 1 1 27 21 10 o 120.799 2.2928 148.118  3.5237  122.666 2.2903 118.933 3.9728 3.732300       4.585662 
1 1 1 27 21 12 o 82.555  3.2070 64.052   1.9830  77.883  1.5577 87.228  6.2220 -9.345306      6.413990 
1 1 1 27 21 14 o 58.556  3.0712 34.715   1.7860  58.595  2.0704 58.517  5.7830 0.7797241E-01  6.142487 
1 1 1 27 21 16 o 65.255  2.8730 42.450   1.8819  64.178  1.9898 66.331  5.3906 -2.152870      5.746088 
1 1 1 27 21 18 o 55.037  3.4529 30.729   1.9503  54.688  2.4518 55.386  6.4558 -0.6978111     6.905748 
1 1 1 27 21 20 o 58.854  3.0427 36.253   2.1140  60.697  2.6299 57.012  5.4878 3.684860       6.085386 
1 1 1 27 21 22 o 20.234  5.8637 2.8756   2.2309  16.966  6.5782 23.503  9.7088 -6.536459      11.72748 
1 1 1 27 21 24 o 28.916  5.5882 9.6572   2.1096  29.574  5.3804 28.259  9.7960 1.315845       11.17632 
1 1 1 27 21 26 o 23.537  5.7527 6.0544   2.0992  19.383  6.7271 27.691  9.3338 -8.307425      11.50538 
1 1 1 27 21 28 o 37.536  5.1804 16.643   2.2843  39.755  4.3365 35.317  9.4096 4.437378       10.36081 
1 1 1 27 21 30 o 24.973  6.0828 7.5687   2.3343  25.195  6.3368 24.751  10.385 0.4440479      12.16567 
1 1 1 27 21 32 o 25.693  5.7304 9.0935   2.4545  29.150  6.5173 22.237  9.4272 6.912605       11.46074 
1 1 1 27 21 34 o 20.191  5.8593 4.8087   2.7655  21.322  7.6957 19.061  8.8377 2.260014       11.71868 
1 1 1 27 22 1  o 71.722  5.1268 53.334   5.0160  71.655  6.0593 71.788  8.2717 -0.1324310     10.25363 
1 1 1 27 22 3  o 96.289  4.2103 96.100   5.4335  93.072  6.9975 99.506  4.6842 -6.434235      8.420643 
1 1 1 27 22 5  f 112.392 2.6947 120.802  2.6068  107.287 1.5474 117.497 5.1625 -10.21032      5.389419 
1 1 1 27 22 7  o 71.887  2.8323 53.099   2.1678  73.453  2.0862 70.320  5.2664 3.132614       5.664541 
1 1 1 27 22 9  o 74.474  2.9239 56.725   2.5100  75.602  2.4492 73.347  5.3102 2.254410       5.847810 
1 1 1 27 22 11 o 122.695 2.3478 150.837  3.5715  121.194 2.2654 124.196 4.1129 -3.001808      4.695542 
1 1 1 27 22 13 o 92.541  2.5212 87.309   2.3343  93.582  1.7057 91.501  4.7451 2.081001       5.042398 
1 1 1 27 22 15 o 18.564  5.6141 1.5088   1.6396  14.297  5.3314 22.830  9.8816 -8.533172      11.22814 
1 1 1 27 22 17 o 16.005  4.9467 -0.4470  1.8197  14.947  5.7472 17.063  8.0530 -2.116808      9.893469 
1 1 1 27 22 19 o 26.809  5.2451 8.1032   1.9503  30.580  4.3847 23.038  9.5298 7.542374       10.49015 
1 1 1 27 22 21 o 40.486  5.3919 18.605   2.5952  42.051  4.7071 38.920  9.7022 3.130886       10.78379 
1 1 1 27 22 23 o 22.585  5.0886 5.7025   1.8495  20.485  7.1183 24.685  7.2735 -4.200186      10.17715 
1 1 1 27 22 25 o 29.427  4.8426 10.152   1.9794  29.742  6.8002 29.112  6.8964 0.6305370      9.685205 
1 1 1 27 22 27 o 15.306  4.6831 0.0412   1.9464  16.539  6.6961 14.073  6.5489 2.465272       9.366144 
1 1 1 27 22 29 f 28.344  5.1952 9.9607   2.0897  27.932  7.8850 28.755  6.7666 -0.8228245     10.39038 
1 1 1 27 22 31 o 20.118  5.8758 4.2930   2.8123  21.639  8.3351 18.597  8.2839 3.042488       11.75151 
1 1 1 27 22 33 o 26.398  5.7573 10.193   2.3610  29.533  5.8288 23.264  9.9302 6.268311       11.51454 
1 1 1 27 23 0  o 113.022 5.3932 130.255  12.132  113.022 5.3932 ?       ?      0.000000       0.000000 
1 1 1 27 23 2  o 59.108  4.5304 36.310   3.7661  54.932  6.7417 63.284  6.0537 -8.352283      9.060768 
1 1 1 27 23 4  o 63.584  3.9175 36.287   1.3388  58.564  1.3083 68.604  7.7249 -10.04018      7.834929 
1 1 1 27 23 6  o 98.528  2.5869 96.615   2.7364  96.896  1.9769 100.160 4.7811 -3.264168      5.173729 
1 1 1 27 23 8  o 79.877  3.6804 64.000   2.6454  78.909  2.1848 80.846  7.0290 -1.937477      7.360719 
1 1 1 27 23 10 o 96.536  2.4895 94.778   3.0946  97.440  2.5556 95.633  4.2730 1.806740       4.978938 
1 1 1 27 23 12 o 94.299  2.2931 87.250   2.2384  91.368  1.6772 97.230  4.2685 -5.862236      4.586186 
1 1 1 27 23 14 o 82.320  3.0944 68.319   2.6707  81.443  2.2736 83.197  5.7560 -1.753479      6.188740 
1 1 1 27 23 16 o 99.138  1.8701 100.217  2.5540  102.045 2.2526 96.232  2.9858 5.813004       3.740171 
1 1 1 27 23 18 o 70.774  2.1437 51.021   2.1271  70.917  2.7911 70.632  3.2544 0.2844849      4.287325 
1 1 1 27 23 20 o 62.885  2.4402 40.541   2.1634  61.211  3.3380 64.560  3.5605 -3.348812      4.880470 
1 1 1 27 23 22 o 29.887  4.9849 10.356   2.0707  29.324  7.3988 30.450  6.6824 -1.126606      9.969796 
1 1 1 27 23 24 f 42.608  3.6562 19.538   2.2024  42.561  5.2507 42.655  5.0894 -0.9410477E-01 7.312470 
1 1 1 27 23 26 o 20.568  5.5337 4.4768   2.2183  22.529  8.2456 18.608  7.3823 3.921093       11.06741 
1 1 1 27 23 28 o 19.006  5.4183 3.3220   2.2626  20.754  8.0118 17.257  7.2968 3.496407       10.83662 
1 1 1 27 23 30 o 15.362  4.8971 -0.1493  2.2662  16.594  7.2683 14.130  6.5649 2.464680       9.794196 
1 1 1 27 23 32 o 18.360  5.7745 2.7019   3.0245  16.762  7.6490 19.957  8.6528 -3.195295      11.54895 
1 1 1 27 24 1  o 36.314  7.3587 15.005   3.9475  32.914  9.9904 39.715  10.807 -6.801521      14.71736 
1 1 1 27 24 3  o 22.585  5.0845 4.5334   1.0095  22.520  2.5517 22.650  9.8437 -0.1300793     10.16904 
1 1 1 27 24 5  o 57.988  3.6660 34.082   1.8709  57.807  2.0986 58.169  7.0251 -0.3619728     7.331914 
1 1 1 27 24 7  o 53.464  4.3846 28.447   2.1519  51.801  2.7117 55.126  8.3395 -3.324909      8.769269 
1 1 1 27 24 9  o 84.853  2.8107 71.461   2.6817  82.375  2.3254 87.331  5.1179 -4.956284      5.621409 
1 1 1 27 24 11 o 69.550  1.7624 48.739   1.7027  69.339  2.2100 69.760  2.7459 -0.4214325     3.524764 
1 1 1 27 24 13 o 79.069  1.8397 63.402   2.0253  80.005  2.3144 78.133  2.8602 1.871696       3.679325 
1 1 1 27 24 15 o 101.448 1.9790 104.602  2.7572  101.943 2.3801 100.953 3.1624 0.9895706      3.957942 
1 1 1 27 24 17 o 78.099  1.9679 62.063   2.1709  75.892  2.8605 80.306  2.7033 -4.414810      3.935798 
1 1 1 27 24 19 o 46.168  3.0085 22.329   1.9469  49.173  3.8955 43.164  4.5857 6.009235       6.016932 
1 1 1 27 24 21 o 33.767  4.0905 12.617   1.9134  32.488  5.9187 35.046  5.6479 -2.557888      8.181090 
1 1 1 27 24 23 o 31.246  4.5118 11.072   1.9050  31.678  5.2405 30.814  7.3459 0.8646240      9.023571 
1 1 1 27 24 25 o 21.190  5.5150 4.8615   2.2968  18.069  7.6245 24.311  7.9703 -6.241634      11.02991 
1 1 1 27 24 27 o 18.993  5.3076 3.7536   2.1051  18.378  7.3519 19.608  7.6572 -1.229815      10.61528 
1 1 1 27 24 29 o 24.797  5.8227 8.6326   2.3906  26.431  8.3966 23.164  8.0693 3.266930       11.64544 
1 1 1 27 25 0  o 55.647  9.1198 34.352   9.4499  55.647  9.1198 ?       ?      0.000000       0.000000 
1 1 1 27 25 2  o 27.530  5.5856 5.6948   1.1044  21.018  3.0379 34.043  10.750 -13.02442      11.17128 
1 1 1 27 25 4  o 40.036  5.3608 16.210   1.6493  38.973  2.6213 41.098  10.396 -2.125286      10.72155 
1 1 1 27 25 6  f 54.025  4.2947 27.396   2.0951  49.269  2.7215 58.781  8.1468 -9.512386      8.589375 
1 1 1 27 25 8  o 42.681  2.2766 18.425   1.2648  42.973  3.8632 42.390  2.4100 0.5821838      4.553278 
1 1 1 27 25 10 o 50.067  1.9015 25.476   1.3409  47.453  2.8257 52.681  2.5452 -5.228737      3.802986 
1 1 1 27 25 12 o 38.891  2.5695 15.580   1.4047  36.428  3.8561 41.353  3.3968 -4.925377      5.138902 
1 1 1 27 25 14 o 43.598  2.7736 19.724   1.6914  39.378  4.2159 47.819  3.6052 -8.441635      5.547151 
1 1 1 27 25 16 o 52.042  2.4292 27.839   1.7878  51.797  3.4516 52.288  3.4192 -0.4907570     4.858435 
1 1 1 27 25 18 o 38.484  3.5771 15.730   1.9427  37.527  4.9342 39.441  5.1804 -1.914204      7.154283 
1 1 1 27 25 20 f 54.709  2.8068 31.287   2.1709  53.892  4.0283 55.526  3.9097 -1.633934      5.613652 
1 1 1 27 25 22 o 68.144  2.5870 48.462   2.4902  70.065  3.5541 66.223  3.7603 3.841660       5.174068 
1 1 1 27 25 24 o 64.458  2.9438 43.692   2.6270  67.243  4.5578 61.674  3.7271 5.569210       5.887671 
1 1 1 27 25 26 o 39.533  4.1719 18.139   2.3301  38.962  6.0635 40.104  5.7316 -1.142399      8.343707 
1 1 1 27 25 28 o 22.796  5.7679 7.3048   2.3556  23.601  8.3811 21.991  7.9266 1.610018       11.53581 
1 1 1 27 26 1  o 76.079  1.2813 58.321   1.3661  75.208  1.9527 76.949  1.6595 -1.741364      2.562612 
1 1 1 27 26 3  o 36.686  1.6290 13.468   0.7859  37.388  2.7324 35.985  1.7744 1.403576       3.258010 
1 1 1 27 26 5  o 32.029  2.1452 10.199   0.8896  33.475  3.6241 30.583  2.2965 2.891125       4.290486 
1 1 1 27 26 7  o 32.437  2.7000 11.096   1.1390  30.306  4.6351 34.567  2.7707 -4.261093      5.400070 
1 1 1 27 26 9  o 52.225  1.9671 27.825   1.4189  53.293  2.3962 51.158  3.1202 2.134651       3.934182 
1 1 1 27 26 11 o 37.261  2.3686 14.132   1.2246  38.258  3.6717 36.264  2.9932 1.994240       4.737124 
1 1 1 27 26 13 f 14.370  4.2230 0.8655   1.4019  14.415  6.2446 14.324  5.6867 0.9069920E-01  8.445921 
1 1 1 27 26 15 o 24.620  4.4941 6.8116   1.5860  27.904  6.3233 21.336  6.3879 6.568748       8.988271 
1 1 1 27 26 17 o 15.240  4.6089 0.5747   1.7878  14.112  6.2748 16.369  6.7523 -2.257098      9.217727 
1 1 1 27 26 19 o 18.508  4.9940 3.3090   1.8057  18.971  7.3315 18.046  6.7829 0.9253426      9.987917 
1 1 1 27 26 21 o 63.763  2.4062 42.164   2.1634  65.866  3.4898 61.660  3.3137 4.206165       4.812442 
1 1 1 27 26 23 o 61.589  2.8273 40.251   2.4545  60.926  4.1920 62.252  3.7950 -1.325901      5.654626 
1 1 1 27 26 25 o 20.428  5.3182 4.5271   2.2662  15.780  7.0627 25.077  7.9531 -9.297409      10.63642 
1 1 1 27 26 27 o 23.617  5.8058 7.9382   2.5524  19.431  8.1030 27.803  8.3169 -8.372721      11.61158 
1 1 1 27 27 0  o 6.0997  4.2532 -1.4047  1.7878  6.0997  4.2532 ?       ?      0.000000       0.000000 
1 1 1 27 27 2  o 49.720  1.9069 25.093   1.3409  49.784  2.6933 49.656  2.7003 0.1284218      3.813892 
1 1 1 27 27 4  o 34.038  2.3783 12.004   1.0946  35.462  2.7008 32.614  3.9155 2.848156       4.756603 
1 1 1 27 27 6  o 10.419  3.2206 -0.4183  0.9247  9.5223  4.3745 11.315  4.7279 -1.793020      6.441178 
1 1 1 27 27 8  o 41.572  2.4003 17.750   1.3931  41.673  3.0643 41.470  3.6952 0.2031517      4.800510 
1 1 1 27 27 10 o 57.588  2.0810 33.720   1.6770  56.588  2.7080 58.588  3.1605 -2.000893      4.161967 
1 1 1 27 27 12 o 49.593  2.2835 25.285   1.5963  47.275  3.3765 51.910  3.0750 -4.634968      4.566906 
1 1 1 27 27 14 o 46.364  2.4954 22.333   1.6226  45.370  3.7998 47.357  3.2359 -1.987072      4.990898 
1 1 1 27 27 16 o 23.277  4.4289 6.3340   1.5733  19.228  7.0740 27.325  5.3308 -8.097717      8.857733 
1 1 1 27 27 18 o 27.817  4.6922 9.3090   1.8318  24.578  7.5707 31.056  5.5452 -6.478329      9.384310 
1 1 1 27 27 20 o 39.337  3.8994 17.104   2.1540  40.897  5.7766 37.777  5.2396 3.120483       7.798885 
1 1 1 27 27 22 o 29.779  4.9585 11.397   2.1913  23.199  8.1709 36.358  5.6197 -13.15940      9.916909 
1 1 1 27 27 24 o 23.492  5.4438 7.3629   2.2329  19.373  7.7779 27.611  7.6185 -8.238232      10.88753 
1 1 1 27 27 26 f 17.839  5.3603 3.1856   2.3607  17.521  7.4622 18.156  7.6973 -0.6357479     10.72067 
1 1 1 27 28 1  o 67.193  1.7767 45.314   1.5717  65.702  1.9436 68.684  2.9748 -2.982101      3.553453 
1 1 1 27 28 3  o 79.059  1.9306 64.693   1.9921  82.581  2.0103 75.538  3.2966 7.043465       3.861190 
1 1 1 27 28 5  o 71.775  1.8033 52.378   1.8057  72.536  2.2887 71.014  2.7873 1.521545       3.606529 
1 1 1 27 28 7  o 41.275  2.4125 17.507   1.4018  38.236  3.5068 44.315  3.3139 -6.079227      4.824908 
1 1 1 27 28 9  o 22.113  4.1227 5.5597   1.3082  22.535  5.6679 21.691  5.9885 0.8439960      8.245440 
1 1 1 27 28 11 o 33.948  3.8013 12.834   1.7240  28.538  6.2139 39.359  4.3801 -10.82122      7.602531 
1 1 1 27 28 13 o 35.073  3.5056 13.262   1.7216  33.250  5.3769 36.895  4.4995 -3.645218      7.011177 
1 1 1 27 28 15 o 55.695  2.6778 32.500   2.1071  57.128  3.6883 54.262  3.8831 2.866051       5.355565 
1 1 1 27 28 17 o 69.517  2.2145 49.587   2.1240  71.773  3.4695 67.261  2.7530 4.512390       4.429028 
1 1 1 27 28 19 o 53.253  3.0955 30.524   2.3301  52.957  4.4611 53.548  4.2926 -0.5907669     6.190938 
1 1 1 27 28 21 o 37.356  4.0360 16.400   2.0108  31.034  6.5783 43.678  4.6779 -12.64322      8.072005 
1 1 1 27 28 23 o 29.297  5.5157 11.873   2.3607  32.840  7.5428 25.754  8.0496 7.086464       11.03135 
1 1 1 27 29 0  o 34.207  4.2116 12.515   2.8094  34.207  4.2116 ?       ?      0.000000       0.000000 
1 1 1 27 29 2  o 24.536  4.2545 6.8958   1.4686  25.762  5.8350 23.311  6.1932 2.450285       8.508982 
1 1 1 27 29 4  o 31.932  3.1835 11.177   1.3287  35.496  3.4178 28.368  5.3720 7.127554       6.367055 
1 1 1 27 29 6  o 37.381  3.0400 14.938   1.5480  40.048  3.5075 34.714  4.9662 5.334354       6.079975 
1 1 1 27 29 8  o 24.042  4.5209 6.6978   1.5637  24.601  6.4208 23.484  6.3662 1.117001       9.041867 
1 1 1 27 29 10 o 12.586  3.9379 -1.7101  1.4436  16.399  6.5992 8.7724  4.2985 7.626983       7.875724 
1 1 1 27 29 12 o 44.329  2.9595 20.833   1.8495  44.995  3.9733 43.663  4.3871 1.332592       5.918936 
1 1 1 27 29 14 o 63.819  2.4452 42.554   2.2024  62.179  3.5941 65.460  3.3164 -3.281837      4.890398 
1 1 1 27 29 16 o 53.225  2.8034 30.348   2.0746  48.139  4.3771 58.312  3.5039 -10.17374      5.606801 
1 1 1 27 29 18 o 20.001  5.3383 4.8526   2.0511  20.104  7.8734 19.898  7.2110 0.2063007      10.67658 
1 1 1 27 29 20 o 12.879  4.3419 -3.2038  2.1540  13.556  6.4376 12.202  5.8280 1.353890       8.683801 
1 1 1 27 29 22 f 19.436  5.8285 4.5004   2.6714  20.797  8.9164 18.075  7.5088 2.722483       11.65695 
1 1 1 27 30 1  o 17.614  4.4487 3.2273   1.3931  18.361  6.5692 16.868  6.0007 1.493671       8.897355 
1 1 1 27 30 3  o 21.959  4.9909 5.6653   1.7507  21.434  6.8605 22.485  7.2504 -1.051281      9.981774 
1 1 1 27 30 5  o 23.123  4.6807 6.2082   1.6503  19.159  6.5967 27.086  6.6423 -7.926672      9.361460 
1 1 1 27 30 7  o 22.942  4.2705 6.1238   1.4018  22.778  5.8553 23.106  6.2181 -0.3276653     8.541045 
1 1 1 27 30 9  o 17.483  4.5865 3.0967   1.5297  18.546  6.4508 16.420  6.5216 2.126041       9.173052 
1 1 1 27 30 11 o 40.966  3.0330 17.920   1.7553  39.536  4.3605 42.396  4.2169 -2.860275      6.065958 
1 1 1 27 30 13 o 45.030  3.0580 21.826   1.9469  45.682  4.3329 44.378  4.3164 1.304726       6.115964 
1 1 1 27 30 15 o 47.411  3.1659 24.646   2.1051  51.720  4.1974 43.101  4.7405 8.619030       6.331750 
1 1 1 27 30 17 o 19.838  4.9993 3.8507   2.0707  25.952  7.7659 13.723  6.2978 12.22914       9.998583 
1 1 1 27 30 19 o 16.436  5.0055 1.9727   2.1271  16.019  7.1193 16.853  7.0381 -0.8336411     10.01091 
1 1 1 27 31 0  o 30.526  6.1252 10.855   3.3202  30.526  6.1252 ?       ?      0.000000       0.000000 
1 1 1 27 31 2  o 21.207  4.6028 5.3139   1.5585  18.923  6.8308 23.492  6.1713 -4.569099      9.205661 
1 1 1 27 31 4  o 28.963  3.8855 9.5297   1.5085  27.226  6.4274 30.699  4.3678 -3.472603      7.771026 
1 1 1 27 31 6  o 25.953  4.5048 8.0066   1.6866  20.959  6.7292 30.947  5.9908 -9.988443      9.009516 
1 1 1 27 31 8  o 17.892  4.7777 3.1168   1.7216  14.999  6.3633 20.785  7.1283 -5.786411      9.555309 
1 1 1 27 31 10 o 42.570  3.2104 19.930   1.9070  44.112  4.0529 41.028  4.9800 3.083565       6.420808 
1 1 1 27 31 12 o 36.837  3.9329 15.595   2.0412  35.974  5.8572 37.700  5.2503 -1.726067      7.865893 
1 1 1 27 31 14 o 20.059  5.2715 5.1182   1.9986  20.217  7.2224 19.902  7.6807 0.3149242      10.54308 
1 1 1 27 31 16 f 17.601  5.1312 2.8895   2.1347  20.281  7.7999 14.921  6.6691 5.359811       10.26232 
1 1 1 27 32 1  o 54.068  2.5085 30.982   1.9134  53.548  3.6964 54.588  3.3921 -1.039894      5.016950 
1 1 1 27 32 3  o 36.908  3.6167 15.274   1.8787  39.704  4.9853 34.113  5.2409 5.591118       7.233307 
1 1 1 27 32 5  o 22.044  5.1260 6.2530   1.8701  20.816  7.5718 23.271  6.9117 -2.455009      10.25200 
1 1 1 27 32 7  o 15.928  4.7533 1.7702   1.8318  15.965  6.5328 15.891  6.9065 0.7385063E-01  9.506666 
1 1 1 27 32 9  o 12.446  4.1436 -2.3787  1.8787  11.907  5.6289 12.984  6.0822 -1.076863      8.287192 
1 1 1 27 32 11 o 18.266  5.1641 3.7253   2.0412  16.643  6.9987 19.890  7.5953 -3.247326      10.32810 
1 1 1 27 32 13 o 22.490  5.1387 6.8148   2.0108  18.157  7.3150 26.823  7.2192 -8.666388      10.27743 
1 1 1 27 33 0  o 50.972  4.1887 27.711   4.2141  50.972  4.1887 ?       ?      0.000000       0.000000 
1 1 1 27 33 2  o 19.252  5.1128 4.5386   1.9427  17.449  7.2100 21.054  7.2512 -3.605385      10.22567 
1 1 1 27 33 4  o 13.551  4.3755 -0.4800  1.7966  14.689  6.6883 12.413  5.6433 2.275801       8.751041 
1 1 1 27 33 6  o 18.493  5.2252 3.8762   2.0354  21.039  8.0400 15.947  6.6762 5.091798       10.45047 
1 1 1 28 1  1  o 141.476 1.6596 200.363  3.3202  140.664 2.3604 142.288 2.3334 -1.624725      3.319102 
1 1 1 28 1  3  o 63.677  2.2004 40.302   1.9464  65.918  3.3902 61.436  2.8061 4.482430       4.400886 
1 1 1 28 1  5  o 52.026  2.4891 27.198   1.8057  51.340  3.8554 52.711  3.1494 -1.371815      4.978278 
1 1 1 28 1  7  o 158.243 1.7699 250.552  3.9495  159.464 2.6026 157.022 2.3991 2.442047       3.539711 
1 1 1 28 1  9  o 124.999 1.6796 157.185  2.9024  122.455 2.6592 127.544 2.0525 -5.088646      3.359229 
1 1 1 28 1  11 o 87.087  1.8526 75.527   2.2123  88.754  2.9496 85.420  2.2425 3.333458       3.705222 
1 1 1 28 1  13 o 269.672 2.1526 728.321  8.1898  270.846 3.1590 268.497 2.9250 2.348419       4.305215 
1 1 1 28 1  15 o 152.709 1.7452 233.338  3.7574  154.161 2.5679 151.257 2.3639 2.903992       3.490333 
1 1 1 28 1  17 o 101.580 1.7259 103.546  2.4247  100.837 2.7228 102.324 2.1216 -1.487160      3.451779 
1 1 1 28 1  19 o 46.342  3.1508 20.648   1.9332  51.421  5.0911 41.263  3.7137 10.15719       6.301660 
1 1 1 28 1  21 o 36.250  3.5516 13.267   1.8147  35.918  4.7997 36.582  5.2362 -0.6642342     7.103208 
1 1 1 28 1  23 o 27.531  4.8066 8.0090   1.9134  22.557  7.2481 32.504  6.3149 -9.946959      9.613133 
1 1 1 28 1  25 o 81.056  1.9217 65.945   2.2024  80.548  2.6952 81.563  2.7399 -1.014946      3.843324 
1 1 1 28 1  27 o 63.103  2.3451 39.892   2.0157  61.924  2.7840 64.282  3.7745 -2.358536      4.690132 
1 1 1 28 1  29 o 28.643  4.7410 8.8484   1.9773  33.954  5.6415 23.333  7.6210 10.62074       9.481923 
1 1 1 28 1  31 o 17.574  4.9377 1.8803   1.8495  16.104  6.7047 19.044  7.2506 -2.939899      9.875427 
1 1 1 28 1  33 o 42.703  3.7141 19.250   2.2329  44.038  4.9296 41.367  5.5566 2.671024       7.428107 
1 1 1 28 1  35 o 53.509  2.7324 29.862   2.0352  50.829  4.2710 56.190  3.4090 -5.360477      5.464701 
1 1 1 28 1  37 o 18.414  5.1126 2.4676   2.0746  21.368  7.5914 15.460  6.8502 5.908220       10.22520 
1 1 1 28 1  39 o 22.139  5.4164 5.8821   2.0746  22.869  7.6210 21.409  7.6988 1.460035       10.83287 
1 1 1 28 1  41 o 30.165  5.0728 11.842   2.2056  25.421  8.4134 34.910  5.6700 -9.488977      10.14563 
1 1 1 28 2  0  o 34.425  4.1829 12.387   2.8094  34.425  4.1829 ?       ?      0.000000       0.000000 
1 1 1 28 2  2  o 178.111 1.8773 317.841  4.7241  175.599 2.7271 180.624 2.5805 -5.025162      3.754512 
1 1 1 28 2  4  o 166.345 1.7666 276.886  4.1346  167.119 2.6362 165.570 2.3524 1.549072       3.533214 
1 1 1 28 2  6  o 117.188 1.7212 137.799  2.8324  115.165 2.6058 119.212 2.2495 -4.047348      3.442475 
1 1 1 28 2  8  o 147.120 1.7043 216.760  3.5411  146.465 2.4849 147.776 2.3332 -1.311539      3.408591 
1 1 1 28 2  10 o 194.387 1.8145 377.847  4.9509  196.353 2.7315 192.421 2.3892 3.931961       3.628958 
1 1 1 28 2  12 o 64.309  2.2504 40.717   1.9714  67.809  3.5782 60.809  2.7300 6.999996       4.500710 
1 1 1 28 2  14 o 63.812  2.0302 40.529   1.6761  64.635  3.4575 62.988  2.1287 1.646038       4.060310 
1 1 1 28 2  16 o 112.051 1.8144 125.484  2.7606  112.816 2.9430 111.286 2.1229 1.529778       3.628784 
1 1 1 28 2  18 f 152.816 1.8221 234.612  3.8279  154.198 2.1946 151.434 2.9093 2.763458       3.644238 
1 1 1 28 2  20 o 165.152 1.8779 274.347  4.2817  167.292 2.2900 163.012 2.9768 4.279129       3.755778 
1 1 1 28 2  22 o 117.135 1.7252 137.322  2.7979  116.221 2.1426 118.049 2.7044 -1.828049      3.450313 
1 1 1 28 2  24 o 31.686  4.2427 10.071   1.7438  29.530  4.7569 33.843  7.0266 -4.313507      8.485368 
1 1 1 28 2  26 o 82.611  2.0102 68.360   2.2776  81.558  2.4269 83.663  3.2054 -2.104950      4.020495 
1 1 1 28 2  28 o 18.728  4.8971 2.9182   1.7216  17.801  6.7580 19.655  7.0893 -1.854626      9.794277 
1 1 1 28 2  30 o 22.310  5.1401 4.9412   1.9711  25.625  7.0210 18.995  7.5091 6.629557       10.28013 
1 1 1 28 2  32 o 20.675  4.9099 4.1492   1.8057  23.653  6.7087 17.697  7.1709 5.956196       9.819757 
1 1 1 28 2  34 o 28.844  4.9660 9.4377   1.9986  27.471  6.7741 30.217  7.2634 -2.745581      9.932053 
1 1 1 28 2  36 o 20.547  5.3453 4.3099   2.0352  19.663  7.3067 21.430  7.8038 -1.766415      10.69055 
1 1 1 28 2  38 o 24.814  5.6842 7.3428   2.4263  20.269  8.0436 29.360  8.0337 -9.090765      11.36836 
1 1 1 28 2  40 o 16.671  5.0414 1.4511   2.0897  18.017  7.5577 15.324  6.6740 2.693246       10.08274 
1 1 1 28 2  42 o 19.359  5.3682 4.3838   2.2275  17.367  7.4854 21.351  7.6967 -3.984022      10.73645 
1 1 1 28 3  1  o 90.225  1.6767 81.481   2.1385  88.139  2.3906 92.312  2.3517 -4.172394      3.353454 
1 1 1 28 3  3  o 64.373  1.9991 41.501   1.8192  64.470  2.8721 64.275  2.7815 0.1948624      3.998234 
1 1 1 28 3  5  o 122.757 1.6958 150.640  2.9149  123.863 2.5775 121.651 2.2044 2.212280       3.391578 
1 1 1 28 3  7  o 201.938 1.8794 408.205  5.3513  202.872 2.7696 201.003 2.5413 1.869385       3.758853 
1 1 1 28 3  9  o 115.069 1.5991 132.568  2.5540  114.999 2.4985 115.138 1.9964 -0.1387939     3.198155 
1 1 1 28 3  11 o 153.070 1.7877 233.725  3.7246  154.851 2.8863 151.289 2.1102 3.562393       3.575470 
1 1 1 28 3  13 o 290.780 2.2387 848.044  9.1905  286.167 3.2799 295.393 3.0478 -9.225494      4.477357 
1 1 1 28 3  15 o 182.930 1.8466 335.360  4.7206  182.449 2.8347 183.412 2.3673 -0.9620819     3.693159 
1 1 1 28 3  17 o 106.230 1.6729 113.479  2.4640  108.082 2.0677 104.378 2.6304 3.704086       3.345787 
1 1 1 28 3  19 f 68.776  2.2092 47.619   2.1347  70.643  2.8923 66.908  3.3401 3.735519       4.418305 
1 1 1 28 3  21 o 126.613 1.8263 160.675  3.2251  126.245 2.3265 126.980 2.8159 -0.7353134     3.652664 
1 1 1 28 3  23 o 34.111  2.9760 11.689   1.4303  32.820  4.0855 35.403  4.3285 -2.583229      5.952065 
1 1 1 28 3  25 o 82.513  2.0805 69.052   2.2779  84.519  2.2664 80.507  3.4897 4.012474       4.161044 
1 1 1 28 3  27 o 70.402  1.9556 49.764   1.9427  71.878  2.8426 68.925  2.6865 2.953682       3.911222 
1 1 1 28 3  29 o 20.449  4.8987 3.1234   1.9469  14.762  6.5373 26.136  7.2974 -11.37382      9.797379 
1 1 1 28 3  31 o 48.087  3.0998 23.646   2.0993  47.427  4.1735 48.746  4.5845 -1.319717      6.199651 
1 1 1 28 3  33 o 41.584  2.9849 17.848   1.7507  39.591  4.1932 43.577  4.2492 -3.986156      5.969804 
1 1 1 28 3  35 o 21.183  5.3944 4.6778   2.0707  22.717  7.8488 19.649  7.4023 3.068638       10.78880 
1 1 1 28 3  37 o 52.397  3.1011 28.903   2.2915  53.699  4.5184 51.095  4.2488 2.604004       6.202227 
1 1 1 28 3  39 o 18.348  5.1416 3.1678   1.9608  17.686  6.9402 19.010  7.5881 -1.323168      10.28326 
1 1 1 28 3  41 o 43.667  3.3104 21.023   2.0352  43.074  4.4470 44.259  4.9051 -1.184525      6.620831 
1 1 1 28 4  0  o 122.341 2.3505 149.921  5.7465  122.341 2.3505 ?       ?      0.000000       0.000000 
1 1 1 28 4  2  o 125.691 1.6728 157.220  2.9275  129.256 2.5687 122.126 2.1436 7.130089       3.345631 
1 1 1 28 4  4  o 62.048  1.8587 38.428   1.6125  63.172  2.8301 60.924  2.4105 2.247181       3.717488 
1 1 1 28 4  6  o 100.771 1.5453 101.489  2.1987  103.333 2.2245 98.210  2.1455 5.123749       3.090524 
1 1 1 28 4  8  o 172.292 1.7222 297.759  4.1703  169.724 2.5958 174.861 2.2639 -5.137390      3.444349 
1 1 1 28 4  10 o 205.234 1.9055 421.857  5.5081  205.233 2.8311 205.235 2.5511 -0.1754761E-02 3.810946 
1 1 1 28 4  12 o 162.423 1.8104 263.530  4.1149  164.683 2.7528 160.163 2.3521 4.520706       3.620797 
1 1 1 28 4  14 o 145.168 1.6942 211.100  3.3900  145.391 2.0641 144.945 2.6872 0.4465179      3.388387 
1 1 1 28 4  16 o 118.534 1.6597 140.726  2.7683  118.544 2.2083 118.523 2.4781 0.2170563E-01  3.319310 
1 1 1 28 4  18 o 183.769 1.8750 340.014  4.7596  187.086 2.2866 180.452 2.9722 6.633850       3.750039 
1 1 1 28 4  20 o 125.657 1.7361 158.086  3.0169  125.060 2.1444 126.255 2.7309 -1.194954      3.472209 
1 1 1 28 4  22 o 91.998  1.8778 85.029   2.3994  92.585  2.3448 91.411  2.9337 1.174011       3.755591 
1 1 1 28 4  24 o 128.671 1.7910 166.083  3.2514  128.761 2.4298 128.581 2.6319 0.1800232      3.581995 
1 1 1 28 4  26 o 67.251  2.3261 45.654   2.1913  67.954  3.0068 66.548  3.5500 1.405731       4.652213 
1 1 1 28 4  28 o 23.462  4.5047 5.7465   1.6601  28.958  5.9373 17.966  6.7764 10.99120       9.009450 
1 1 1 28 4  30 o 64.511  2.1833 42.133   1.9608  65.024  2.7495 63.997  3.3922 1.027065       4.366526 
1 1 1 28 4  32 o 55.977  2.8625 32.116   2.2626  57.284  4.1242 54.671  3.9709 2.612633       5.725085 
1 1 1 28 4  34 o 27.001  4.7718 8.2670   1.8147  26.005  6.6125 27.997  6.8814 -1.992010      9.543512 
1 1 1 28 4  36 o 43.569  3.3168 20.113   2.0432  43.056  4.7455 44.082  4.6351 -1.025856      6.633506 
1 1 1 28 4  38 o 27.289  5.2863 9.1889   2.1987  31.695  6.8424 22.882  8.0597 8.812937       10.57252 
1 1 1 28 4  40 o 16.574  5.0251 1.5092   2.0993  17.251  7.3528 15.897  6.8516 1.353986       10.05028 
1 1 1 28 4  42 o 25.986  5.5642 9.4024   2.2183  28.607  8.1093 23.365  7.6210 5.242367       11.12838 
1 1 1 28 5  1  o 322.013 2.5310 1038.94  11.510  318.880 3.4841 325.146 3.6722 -6.265930      5.062000 
1 1 1 28 5  3  o 153.696 1.6452 236.502  3.5756  155.067 2.3059 152.325 2.3474 2.741852       3.290450 
1 1 1 28 5  5  o 58.133  1.7637 33.741   1.4019  58.671  2.8295 57.595  2.1064 1.075623       3.527470 
1 1 1 28 5  7  o 25.889  3.4239 6.7278   1.1594  28.486  5.3523 23.292  4.2713 5.194008       6.847756 
1 1 1 28 5  9  o 110.110 1.6105 121.241  2.4492  110.588 2.5404 109.633 1.9802 0.9549179      3.221014 
1 1 1 28 5  11 o 115.559 1.7432 133.886  2.7383  116.078 2.0352 115.040 2.8307 1.038124       3.486379 
1 1 1 28 5  13 o 147.614 1.6574 218.333  3.4290  148.341 2.1521 146.887 2.5212 1.454636       3.314852 
1 1 1 28 5  15 o 84.652  1.6355 71.680   1.9218  84.214  2.0471 85.091  2.5513 -0.8768234     3.271055 
1 1 1 28 5  17 o 45.315  2.5100 20.631   1.5733  45.409  3.0935 45.221  3.9535 0.1873741      5.019905 
1 1 1 28 5  19 o 82.570  1.9689 68.532   2.2123  83.187  2.3027 81.953  3.1944 1.233986       3.937785 
1 1 1 28 5  21 o 87.194  1.7144 76.168   2.0897  86.776  2.2074 87.612  2.6236 -0.8357544     3.428730 
1 1 1 28 5  23 o 70.183  2.1678 49.613   2.1271  71.434  2.7709 68.933  3.3346 2.501068       4.335581 
1 1 1 28 5  25 o 63.457  2.2865 40.304   1.8125  62.919  2.2326 63.996  3.9909 -1.077049      4.572935 
1 1 1 28 5  27 o 73.306  2.1792 54.350   2.2056  74.585  2.6538 72.026  3.4573 2.559311       4.358413 
1 1 1 28 5  29 o 83.487  2.3822 70.294   2.7862  85.118  3.6007 81.855  3.1202 3.262756       4.764480 
1 1 1 28 5  31 o 64.184  2.2867 41.762   2.0746  64.397  3.1729 63.972  3.2937 0.4248314      4.573375 
1 1 1 28 5  33 o 34.969  4.2790 13.275   2.0746  35.743  5.8951 34.194  6.2038 1.548489       8.557962 
1 1 1 28 5  35 o 16.538  4.9886 0.7343   1.9714  13.792  6.0998 19.283  7.8954 -5.490932      9.977189 
1 1 1 28 5  37 o 19.277  5.2762 3.1555   2.1469  21.037  7.2506 17.517  7.6670 3.519821       10.55249 
1 1 1 28 5  39 o 54.543  3.2990 32.371   2.4492  56.893  3.8158 52.194  5.3826 4.698124       6.597948 
1 1 1 28 5  41 o 44.359  3.5504 21.317   2.1180  40.216  4.2867 48.502  5.6608 -8.285660      7.100728 
1 1 1 28 6  0  o 339.414 3.5752 1153.91  24.263  339.414 3.5752 ?       ?      0.000000       0.000000 
1 1 1 28 6  2  o 200.313 1.8376 401.762  5.1989  200.703 2.6723 199.923 2.5231 0.7798767      3.675210 
1 1 1 28 6  4  o 210.930 1.9372 445.609  5.7783  211.064 2.7529 210.795 2.7261 0.2687683      3.874306 
1 1 1 28 6  6  f 220.456 1.9802 487.419  6.1535  217.343 2.9378 223.568 2.6561 -6.225021      3.960447 
1 1 1 28 6  8  o 83.485  1.5472 69.498   1.7923  82.080  1.9448 84.889  2.4069 -2.809059      3.094399 
1 1 1 28 6  10 o 77.792  1.8585 60.552   2.0412  81.277  2.5924 74.307  2.6637 6.969902       3.717029 
1 1 1 28 6  12 o 73.418  1.6403 54.205   1.6866  75.684  2.1091 71.152  2.5127 4.532173       3.280521 
1 1 1 28 6  14 o 34.417  2.8159 12.080   1.3287  36.564  3.3179 32.271  4.5508 4.293472       5.631866 
1 1 1 28 6  16 o 18.039  4.4734 2.7924   1.4303  15.708  6.0417 20.369  6.5986 -4.660530      8.946723 
1 1 1 28 6  18 o 18.384  4.4674 2.9507   1.4455  19.887  5.7657 16.880  6.8253 3.006283       8.934703 
1 1 1 28 6  20 o 27.749  4.3367 8.7486   1.7520  35.958  4.0841 19.539  7.6517 16.41952       8.673410 
1 1 1 28 6  22 f 55.350  2.4475 31.090   1.8571  57.288  2.8978 53.411  3.9450 3.877098       4.894925 
1 1 1 28 6  24 o 58.947  2.4228 35.796   1.9050  62.899  2.6393 54.995  4.0636 7.904057       4.845518 
1 1 1 28 6  26 f 48.209  3.4260 22.802   2.1727  44.386  3.8840 52.031  5.6449 -7.645107      6.852041 
1 1 1 28 6  28 o 84.803  2.0098 72.417   2.3599  84.617  2.4901 84.989  3.1554 -0.3722687     4.019594 
1 1 1 28 6  30 o 33.481  4.3513 11.609   1.9256  31.262  5.1061 35.701  7.0471 -4.439135      8.702563 
1 1 1 28 6  32 o 22.386  5.6791 5.1417   2.2968  20.871  7.8649 23.902  8.1945 -3.030760      11.35812 
1 1 1 28 6  34 o 26.953  5.0718 8.5167   2.0629  22.437  7.9425 31.469  6.3095 -9.032026      10.14365 
1 1 1 28 6  36 o 20.438  5.2487 4.0786   2.0707  24.382  7.8495 16.493  6.9702 7.889338       10.49749 
1 1 1 28 6  38 o 21.833  5.3330 5.5864   1.9986  23.661  7.8556 20.004  7.2148 3.657539       10.66598 
1 1 1 28 6  40 o 36.307  3.9273 15.081   2.0108  37.444  5.2862 35.170  5.8095 2.274117       7.854541 
1 1 1 28 6  42 o 19.048  5.5006 4.2976   2.3735  18.306  7.8847 19.790  7.6718 -1.484240      11.00112 
1 1 1 28 7  1  o 124.352 1.4734 155.010  2.5855  120.808 2.1670 127.896 1.9969 -7.088646      2.946791 
1 1 1 28 7  3  o 106.765 1.8839 113.880  2.5317  107.201 3.2759 106.329 1.8615 0.8723145      3.767842 
1 1 1 28 7  5  o 181.528 1.7629 330.332  4.4632  182.606 2.2378 180.451 2.7246 2.155060       3.525788 
1 1 1 28 7  7  o 156.045 1.6437 243.955  3.5734  156.635 2.0790 155.456 2.5465 1.179794       3.287381 
1 1 1 28 7  9  o 111.597 1.6070 123.629  2.4538  108.526 1.9415 114.668 2.5614 -6.141640      3.214096 
1 1 1 28 7  11 o 68.242  1.6516 47.208   1.5480  71.618  1.9614 64.865  2.6577 6.752914       3.303127 
1 1 1 28 7  13 o 129.428 1.5793 167.714  2.8378  129.372 1.9742 129.483 2.4656 -0.1106720     3.158553 
1 1 1 28 7  15 o 117.969 1.4996 139.796  2.4836  120.846 1.9549 115.092 2.2746 5.754478       2.999251 
1 1 1 28 7  17 f 121.445 1.6317 148.296  2.7478  123.388 2.0182 119.502 2.5647 3.886314       3.263498 
1 1 1 28 7  19 o 68.995  1.9691 47.794   1.9070  69.380  2.5768 68.610  2.9780 0.7703171      3.938115 
1 1 1 28 7  21 f 54.810  2.4789 29.861   1.8623  52.649  3.0319 56.971  3.9226 -4.322174      4.957741 
1 1 1 28 7  23 o 61.717  2.4121 38.310   2.0157  61.776  2.7907 61.658  3.9351 0.1175232      4.824208 
1 1 1 28 7  25 o 78.166  2.0112 61.885   2.1987  82.147  2.5650 74.184  3.0985 7.963348       4.022445 
1 1 1 28 7  27 o 17.979  4.7170 2.3379   1.6503  14.754  6.1791 21.203  7.1288 -6.448832      9.434068 
1 1 1 28 7  29 o 57.984  2.4551 34.112   2.0108  58.878  3.3618 57.090  3.5789 1.787437       4.910256 
1 1 1 28 7  31 f 53.788  2.9531 29.820   2.2329  55.966  3.8790 51.610  4.4538 4.355835       5.906216 
1 1 1 28 7  33 o 39.737  3.7718 16.740   2.0897  40.110  4.7757 39.363  5.8395 0.7468147      7.543662 
1 1 1 28 7  35 o 29.115  5.2218 9.9701   2.1690  26.286  7.5914 31.944  7.1722 -5.658318      10.44366 
1 1 1 28 7  37 o 32.256  5.5609 12.665   2.4894  29.894  7.4853 34.618  8.2260 -4.723562      11.12190 
1 1 1 28 7  39 o 19.457  5.3311 3.9118   2.0789  19.696  6.9756 19.218  8.0637 0.4781952      10.66222 
1 1 1 28 7  41 o 22.832  5.5044 7.1150   2.1271  21.074  7.4734 24.590  8.0833 -3.515657      11.00873 
1 1 1 28 8  0  f 113.748 4.1094 130.127  9.3222  113.748 4.1094 ?       ?      0.000000       0.000000 
1 1 1 28 8  2  o 193.061 2.4705 375.439  6.5916  196.869 3.0163 189.252 3.9136 7.617371       4.941098 
1 1 1 28 8  4  o 150.572 1.9591 226.527  4.0874  152.132 3.0638 149.012 2.4424 3.120438       3.918219 
1 1 1 28 8  6  f 256.643 2.3020 659.998  8.1900  256.557 2.8620 256.729 3.6063 -0.1719055     4.603954 
1 1 1 28 8  8  f 281.211 2.3947 787.562  9.0906  276.243 2.7737 286.178 3.9045 -9.934631      4.789397 
1 1 1 28 8  10 o 127.799 1.7889 164.320  3.0442  129.332 1.9748 126.267 2.9835 3.065636       3.577858 
1 1 1 28 8  12 o 87.348  1.5821 77.451   1.8964  92.110  1.8716 82.585  2.5514 9.525078       3.164268 
1 1 1 28 8  14 o 62.682  1.8068 40.025   1.5480  66.616  2.1087 58.748  2.9345 7.868763       3.613563 
1 1 1 28 8  16 o 29.181  3.9552 9.2690   1.4898  33.434  3.8195 24.929  6.9271 8.505341       7.910371 
1 1 1 28 8  18 o 80.661  1.7915 65.602   1.9702  82.195  2.0974 79.128  2.9049 3.066803       3.582991 
1 1 1 28 8  20 o 111.429 1.7150 124.584  2.6437  111.751 2.1140 111.106 2.7010 0.6455231      3.429954 
1 1 1 28 8  22 o 66.500  1.8688 44.398   1.7553  67.416  2.5572 65.584  2.7260 1.832245       3.737690 
1 1 1 28 8  24 o 65.183  2.3966 43.097   2.1240  66.579  2.7811 63.786  3.9039 2.793320       4.793269 
1 1 1 28 8  26 o 106.453 1.8333 114.352  2.7396  109.659 2.3873 103.248 2.7829 6.411118       3.666548 
1 1 1 28 8  28 o 121.536 1.8351 148.834  3.0818  121.851 2.2532 121.220 2.8970 0.6309280      3.670106 
1 1 1 28 8  30 f 56.472  2.9526 32.730   2.2951  57.363  3.5619 55.580  4.7101 1.783451       5.905248 
1 1 1 28 8  32 o 34.684  3.9210 12.880   1.8787  32.256  5.7490 37.112  5.3335 -4.855591      7.842041 
1 1 1 28 8  34 o 18.545  5.0851 2.5277   2.0108  21.277  7.4807 15.813  6.8900 5.463788       10.17017 
1 1 1 28 8  36 o 40.885  3.9959 18.297   2.2968  42.550  5.2522 39.220  6.0236 3.329533       7.991822 
1 1 1 28 8  38 o 18.405  4.9251 3.0758   1.8429  14.789  6.3844 22.022  7.5010 -7.233687      9.850168 
1 1 1 28 8  40 o 18.376  5.2007 2.9263   2.2447  15.598  7.1187 21.153  7.5838 -5.554995      10.40144 
1 1 1 28 9  1  o 102.146 3.2734 104.816  4.7241  105.421 4.5425 98.870  4.7144 6.551262       6.546723 
1 1 1 28 9  3  o 200.296 2.9335 402.688  8.2986  207.808 4.0558 192.783 4.2394 15.02490       5.867016 
1 1 1 28 9  5  o 47.127  4.1681 21.705   2.3397  45.136  3.8195 49.118  7.4097 -3.981594      8.336213 
1 1 1 28 9  7  o 75.629  1.8914 56.334   1.9256  79.026  3.0703 72.233  2.2099 6.792374       3.782883 
1 1 1 28 9  9  o 142.109 1.7170 201.815  3.4290  139.921 2.2817 144.295 2.5665 -4.373947      3.434066 
1 1 1 28 9  11 o 122.049 1.5462 149.335  2.6186  122.745 1.9247 121.352 2.4203 1.393768       3.092320 
1 1 1 28 9  13 o 105.406 1.5329 110.826  2.2123  104.006 1.8417 106.805 2.4511 -2.798836      3.065893 
1 1 1 28 9  15 o 70.218  1.8519 50.428   1.7673  75.237  2.1216 65.199  3.0359 10.03793       3.703755 
1 1 1 28 9  17 o 34.190  3.6176 12.770   1.5324  39.702  3.3773 28.677  6.3985 11.02424       7.235163 
1 1 1 28 9  19 o 176.409 1.8664 314.187  4.5405  180.978 2.2580 171.840 2.9725 9.137955       3.732887 
1 1 1 28 9  21 o 196.862 1.9359 387.994  5.1922  195.527 2.2859 198.198 3.1249 -2.670990      3.871733 
1 1 1 28 9  23 o 122.481 1.7653 150.823  2.9922  123.241 2.1760 121.721 2.7802 1.519966       3.530509 
1 1 1 28 9  25 o 57.366  2.4917 33.604   1.9464  59.714  2.8870 55.017  4.0619 4.697361       4.983396 
1 1 1 28 9  27 o 19.724  5.3826 2.8114   1.9136  16.174  6.3017 23.273  8.7279 -7.098864      10.76510 
1 1 1 28 9  29 o 58.339  2.6607 34.857   2.1540  60.235  3.2861 56.443  4.1856 3.791992       5.321403 
1 1 1 28 9  31 o 33.446  5.1929 12.789   2.3940  35.562  6.8890 31.329  7.7721 4.232819       10.38577 
1 1 1 28 9  33 o 20.200  5.3016 3.7127   2.1240  22.336  7.2550 18.064  7.7325 4.272051       10.60315 
1 1 1 28 9  35 o 39.818  3.9671 17.388   2.1802  41.220  4.8019 38.415  6.3161 2.805588       7.934188 
1 1 1 28 9  37 o 28.086  5.3305 9.6846   2.1240  27.761  6.7302 28.410  8.2682 -0.6490936     10.66108 
1 1 1 28 9  39 o 14.586  4.7112 -1.3364  2.2303  13.705  6.5637 15.468  6.7600 -1.762408      9.422307 
1 1 1 28 9  41 o 19.308  5.5247 4.5273   2.2566  17.478  7.0657 21.139  8.4949 -3.661036      11.04930 
1 1 1 28 10 0  o 125.921 4.5257 159.498  11.365  125.921 4.5257 ?       ?      0.000000       0.000000 
1 1 1 28 10 2  o 60.765  4.9074 37.302   4.2132  61.509  6.7474 60.020  7.1276 1.489044       9.814804 
1 1 1 28 10 4  o 113.426 3.2834 129.125  5.2628  115.916 4.6821 110.937 4.6044 4.979088       6.566800 
1 1 1 28 10 6  o 63.985  3.0973 40.868   1.9074  63.696  2.0048 64.274  5.8611 -0.5777435     6.194516 
1 1 1 28 10 8  o 174.097 2.3547 301.995  5.2855  171.958 2.4507 176.236 4.0215 -4.278122      4.709417 
1 1 1 28 10 10 o 296.700 3.0859 881.463  11.066  295.302 2.8325 298.097 5.4834 -2.795288      6.171722 
1 1 1 28 10 12 o 195.551 2.6179 385.393  5.8520  196.716 2.1747 194.386 4.7628 2.329453       5.235838 
1 1 1 28 10 14 o 60.192  1.8928 36.198   1.5554  59.527  2.2525 60.857  3.0426 -1.329521      3.785696 
1 1 1 28 10 16 o 125.176 1.6994 157.989  2.9275  128.091 2.0438 122.260 2.7157 5.831314       3.398819 
1 1 1 28 10 18 o 127.776 1.5767 164.829  2.7731  131.432 1.8946 124.120 2.5207 7.311813       3.153339 
1 1 1 28 10 20 o 121.060 1.7810 147.201  2.9140  121.645 2.0471 120.474 2.9150 1.171227       3.561953 
1 1 1 28 10 22 o 110.688 1.6203 122.803  2.4894  110.295 2.0262 111.081 2.5292 -0.7856750     3.240678 
1 1 1 28 10 24 o 22.174  5.2178 4.8867   1.9070  21.275  7.1288 23.073  7.6210 -1.797878      10.43552 
1 1 1 28 10 26 o 38.956  3.1661 15.580   1.7240  42.398  4.0661 35.515  4.8542 6.883888       6.332210 
1 1 1 28 10 28 f 78.715  1.9305 62.728   2.1347  80.937  2.5244 76.493  2.9215 4.444160       3.861094 
1 1 1 28 10 30 o 22.347  5.1723 5.4219   1.8830  21.812  7.2550 22.882  7.3740 -1.070002      10.34458 
1 1 1 28 10 32 o 32.235  4.3996 11.575   1.9427  35.207  5.2593 29.262  7.0545 5.944996       8.799283 
1 1 1 28 10 34 o 25.102  5.1707 7.4339   1.9344  24.482  6.9677 25.721  7.6416 -1.238836      10.34130 
1 1 1 28 10 36 o 25.499  5.7418 8.0871   2.3196  25.141  7.8158 25.857  8.4134 -0.7159901     11.48356 
1 1 1 28 10 38 o 29.778  5.3654 11.238   2.2662  29.698  7.6835 29.858  7.4908 -0.1597233     10.73072 
1 1 1 28 10 40 o 18.661  5.2909 3.9130   2.1271  16.845  7.0365 20.478  7.9034 -3.633806      10.58187 
1 1 1 28 11 1  o 74.672  4.0747 55.138   4.1848  79.706  6.3285 69.637  5.1347 10.06953       8.149490 
1 1 1 28 11 3  o 140.616 3.0804 197.912  6.1057  146.525 4.4448 134.706 4.2660 11.81885       6.160736 
1 1 1 28 11 5  o 159.714 2.9690 255.955  6.6891  161.500 4.3490 157.928 4.0430 3.571655       5.937959 
1 1 1 28 11 7  o 124.928 2.0083 157.529  3.1985  126.729 2.0153 123.128 3.4744 3.601128       4.016625 
1 1 1 28 11 9  o 236.508 2.5426 564.623  8.0848  240.330 2.8693 232.686 4.1984 7.643860       5.085248 
1 1 1 28 11 11 o 139.732 2.0567 197.085  3.4054  141.200 1.8088 138.264 3.6944 2.935684       4.113444 
1 1 1 28 11 13 o 64.536  2.6914 41.204   1.7075  63.586  1.8075 65.485  5.0702 -1.898998      5.382709 
1 1 1 28 11 15 o 119.194 2.4828 145.577  2.8402  121.805 1.5726 116.583 4.7101 5.222534       4.965663 
1 1 1 28 11 17 o 83.090  3.0128 68.259   2.2548  81.818  1.7949 84.362  5.7521 -2.544456      6.025685 
1 1 1 28 11 19 o 64.884  2.7422 40.899   1.7948  62.559  1.9392 67.209  5.1301 -4.650208      5.484401 
1 1 1 28 11 21 o 42.367  4.6485 16.140   1.8641  36.674  3.3079 48.060  8.6886 -11.38541      9.296977 
1 1 1 28 11 23 o 84.327  2.1977 72.316   2.3762  86.127  2.2241 82.527  3.7911 3.600151       4.395337 
1 1 1 28 11 25 o 60.378  3.7814 37.367   2.5608  60.803  3.0453 59.953  6.9226 0.8500710      7.562801 
1 1 1 28 11 27 o 65.864  2.9417 45.347   2.3242  68.834  2.5973 62.894  5.2790 5.939495       5.883378 
1 1 1 28 11 29 o 91.998  2.5927 86.103   3.0110  91.808  2.5733 92.188  4.5020 -0.3800201     5.185496 
1 1 1 28 11 31 o 37.728  5.3721 17.391   2.1567  43.352  3.5348 32.104  10.146 11.24837       10.74422 
1 1 1 28 11 33 o 30.157  5.0831 9.9757   1.9005  29.313  4.7920 31.000  8.9660 -1.687037      10.16624 
1 1 1 28 11 35 o 26.698  5.7400 8.6992   2.3003  25.456  7.3597 27.940  8.8104 -2.484098      11.47991 
1 1 1 28 11 37 o 18.989  5.3268 3.4780   2.0507  18.332  6.8041 19.646  8.1976 -1.314566      10.65350 
1 1 1 28 11 39 o 20.755  5.4909 5.4430   2.1246  20.371  7.1145 21.138  8.3657 -0.7672997     10.98183 
1 1 1 28 12 0  o 91.385  4.3530 84.283   7.9175  91.385  4.3530 ?       ?      0.000000       0.000000 
1 1 1 28 12 2  o 60.116  3.9432 36.352   3.3445  63.067  5.5683 57.166  5.5847 5.901119       7.886360 
1 1 1 28 12 4  o 93.297  3.6279 87.636   4.6007  93.294  5.8858 93.300  4.2430 -0.5828857E-02 7.255773 
1 1 1 28 12 6  o 80.037  4.2720 64.813   4.8036  79.269  6.4439 80.806  5.6102 -1.536720      8.543952 
1 1 1 28 12 8  o 140.625 2.4034 199.937  4.0013  142.302 2.1089 138.948 4.3195 3.353149       4.806856 
1 1 1 28 12 10 o 162.535 2.6543 263.436  5.3301  160.624 2.5441 164.446 4.6593 -3.822098      5.308640 
1 1 1 28 12 12 o 125.593 2.1911 153.857  3.1210  121.054 1.8461 130.133 3.9743 -9.078918      4.382152 
1 1 1 28 12 14 o 70.042  2.6290 48.704   1.8033  69.248  1.7519 70.836  4.9576 -1.587624      5.258040 
1 1 1 28 12 16 o 39.269  3.8203 14.877   1.7060  36.871  3.2903 41.666  6.8959 -4.795551      7.640651 
1 1 1 28 12 18 o 101.837 2.5553 103.963  2.5528  101.700 1.6951 101.974 4.8213 -0.2741547     5.110627 
1 1 1 28 12 20 o 66.182  2.5176 42.959   1.8772  64.043  2.0937 68.322  4.5793 -4.278831      5.035254 
1 1 1 28 12 22 o 18.066  5.4282 -0.0190  2.0242  11.851  5.4327 24.280  9.3994 -12.42954      10.85647 
1 1 1 28 12 24 o 60.295  2.7101 38.066   2.0507  64.327  2.5807 56.262  4.7665 8.064968       5.420271 
1 1 1 28 12 26 o 33.720  5.5624 11.694   2.1133  32.371  4.5367 35.070  10.158 -2.699402      11.12486 
1 1 1 28 12 28 o 49.422  2.9695 24.598   1.9155  47.724  3.2110 51.120  4.9961 -3.396545      5.938982 
1 1 1 28 12 30 f 23.839  5.2425 5.9280   2.1844  28.179  6.0650 19.498  8.5528 8.680611       10.48501 
1 1 1 28 12 32 o 40.257  4.5590 17.112   2.2544  37.590  4.5862 42.924  7.8807 -5.334003      9.118058 
1 1 1 28 12 34 o 39.416  5.6295 20.350   2.4632  47.385  3.7729 31.447  10.608 15.93796       11.25902 
1 1 1 28 12 36 o 37.768  5.2854 17.656   2.5844  41.774  5.1968 33.762  9.2051 8.012493       10.57075 
1 1 1 28 12 38 o 31.745  5.2732 12.984   2.2776  31.862  6.4377 31.628  8.3536 0.2332726      10.54638 
1 1 1 28 13 1  o 73.648  4.5127 55.133   4.5321  74.815  5.2913 72.482  7.3116 2.333748       9.025422 
1 1 1 28 13 3  o 80.345  3.9900 65.191   4.5334  80.782  5.6119 79.908  5.6733 0.8741760      7.979917 
1 1 1 28 13 5  o 155.232 2.9666 242.342  6.5121  156.334 4.2068 154.130 4.1841 2.203537       5.933223 
1 1 1 28 13 7  o 168.583 2.0178 284.086  4.4270  167.518 2.1345 169.647 3.4250 -2.129929      4.035653 
1 1 1 28 13 9  o 120.306 2.0655 144.745  3.1985  119.653 2.1345 120.960 3.5367 -1.306351      4.130915 
1 1 1 28 13 11 o 156.848 2.3802 249.105  4.8494  159.741 2.4782 153.954 4.0644 5.787827       4.760374 
1 1 1 28 13 13 o 72.203  3.0099 52.459   2.1606  72.293  2.0314 72.114  5.6666 0.1785126      6.019725 
1 1 1 28 13 15 o 91.256  2.5092 84.375   2.2565  92.162  1.6627 90.351  4.7348 1.810982       5.018315 
1 1 1 28 13 17 o 39.091  4.3293 16.880   1.7559  42.943  2.9737 35.238  8.1320 7.705017       8.658624 
1 1 1 28 13 19 o 39.695  4.7995 16.591   1.8637  40.782  3.1313 38.608  9.0739 2.174026       9.599018 
1 1 1 28 13 21 o 55.822  3.2935 31.277   1.9308  55.356  2.4223 56.288  6.1255 -0.9320869     6.587041 
1 1 1 28 13 23 o 47.601  4.0086 23.428   2.1218  48.387  3.1670 46.814  7.3651 1.573116       8.017179 
1 1 1 28 13 25 o 25.049  4.8500 6.5942   1.9137  30.165  4.6567 19.933  8.5091 10.23190       9.700028 
1 1 1 28 13 27 o 23.712  5.8384 5.2446   2.2095  24.176  6.2823 23.248  9.8428 0.9281883      11.67678 
1 1 1 28 13 29 f 46.711  4.0262 22.892   2.2275  46.549  3.5664 46.873  7.2196 -0.3239326     8.052458 
1 1 1 28 13 31 o 28.711  5.3850 9.7744   2.2117  31.168  6.1601 26.254  8.8343 4.913994       10.76994 
1 1 1 28 13 33 o 21.270  5.9915 4.2506   2.5297  18.539  7.3737 24.001  9.4456 -5.461575      11.98295 
1 1 1 28 13 35 f 24.746  5.5688 7.4988   2.2695  27.570  6.3753 21.921  9.1325 5.648462       11.13767 
1 1 1 28 13 37 o 19.255  5.7291 3.4012   2.4621  15.828  6.8371 22.681  9.1947 -6.853658      11.45815 
1 1 1 28 13 39 o 25.389  5.9026 9.3802   2.4247  22.900  7.8549 27.877  8.8127 -4.976784      11.80519 
1 1 1 28 14 0  o 72.037  5.9278 53.251   8.4283  72.037  5.9278 ?       ?      0.000000       0.000000 
1 1 1 28 14 2  o 83.289  3.5234 69.966   4.1493  83.815  5.0279 82.764  4.9375 1.050850       7.046879 
1 1 1 28 14 4  o 86.507  3.2380 74.363   3.8557  90.831  5.0613 82.183  4.0400 8.647369       6.476002 
1 1 1 28 14 6  o 74.154  4.3493 55.481   4.5383  77.475  6.3459 70.832  5.9495 6.643318       8.698627 
1 1 1 28 14 8  o 37.008  5.2496 12.759   1.6294  34.031  3.0020 39.986  10.061 -5.955124      10.49924 
1 1 1 28 14 10 o 160.612 2.4363 258.802  4.9092  160.341 2.3893 160.882 4.2466 -0.5413666     4.872596 
1 1 1 28 14 12 o 67.365  3.3099 46.385   2.4754  68.630  2.6050 66.099  6.0857 2.531425       6.619784 
1 1 1 28 14 14 o 36.744  4.9658 12.404   1.5272  33.267  2.8790 40.221  9.5051 -6.953621      9.931550 
1 1 1 28 14 16 o 119.344 2.2185 143.064  2.9383  119.506 1.7632 119.182 4.0716 0.3234634      4.436972 
1 1 1 28 14 18 o 64.609  3.3844 45.257   2.1232  69.656  2.1083 59.562  6.4320 10.09359       6.768717 
1 1 1 28 14 20 o 32.528  5.1555 11.419   1.9510  34.435  4.0793 30.620  9.4698 3.814880       10.31101 
1 1 1 28 14 22 o 65.039  3.1326 44.646   2.0927  68.223  2.1526 61.856  5.8838 6.366627       6.265174 
1 1 1 28 14 24 o 39.373  4.9405 18.048   2.1283  45.168  3.5341 33.578  9.2273 11.58961       9.880967 
1 1 1 28 14 26 f 23.028  5.5808 5.1512   2.0242  22.987  6.2325 23.069  9.2594 -0.8241081E-01 11.16155 
1 1 1 28 14 28 o 32.332  5.5010 12.017   2.2412  34.591  4.7992 30.073  9.9000 4.518072       11.00195 
1 1 1 28 14 30 o 49.002  4.7343 28.354   2.4545  55.552  3.3332 42.452  8.8624 13.10003       9.468518 
1 1 1 28 14 32 o 33.232  5.3591 13.035   2.2921  34.589  5.1687 31.874  9.3895 2.715210       10.71811 
1 1 1 28 14 34 o 24.832  5.7181 7.5667   2.2407  25.271  6.8877 24.392  9.1293 0.8792076      11.43612 
1 1 1 28 14 36 o 19.388  5.1897 3.8463   2.1004  21.928  7.2550 16.849  7.4229 5.078751       10.37950 
1 1 1 28 14 38 o 16.159  5.0050 1.1715   2.1802  13.722  6.2974 18.597  7.7810 -4.875296      10.01010 
1 1 1 28 15 1  o 84.429  4.1038 72.669   4.8518  78.366  6.2738 90.493  5.2919 -12.12766      8.207567 
1 1 1 28 15 3  o 112.203 2.8604 126.559  4.4197  111.897 3.4808 112.509 4.5401 -0.6119385     5.720872 
1 1 1 28 15 5  o 48.255  5.3374 23.816   3.6395  49.380  7.3703 47.131  7.7221 2.249401       10.67483 
1 1 1 28 15 7  o 40.918  6.7830 17.912   3.8184  42.484  10.186 39.352  8.9597 3.131413       13.56598 
1 1 1 28 15 9  o 46.322  4.4467 21.872   1.9074  46.377  2.7536 46.268  8.4563 0.1084137      8.893345 
1 1 1 28 15 11 o 67.413  3.2122 45.219   2.4135  66.366  2.5977 68.461  5.8757 -2.094986      6.424340 
1 1 1 28 15 13 o 21.135  5.1331 4.0056   1.6580  19.861  5.7682 22.409  8.4925 -2.547890      10.26617 
1 1 1 28 15 15 o 31.963  5.1006 10.503   1.6361  32.269  3.3638 31.657  9.6306 0.6118908      10.20117 
1 1 1 28 15 17 o 23.280  5.8081 4.5653   1.8197  19.532  5.7974 27.028  10.066 -7.495440      11.61611 
1 1 1 28 15 19 f 38.992  4.8975 16.961   1.7860  42.304  2.8677 35.679  9.3658 6.625259       9.795019 
1 1 1 28 15 21 o 37.203  4.7487 14.351   1.8346  37.107  3.4414 37.298  8.8519 -0.1910858     9.497328 
1 1 1 28 15 23 o 39.225  4.9392 17.866   1.9103  44.116  3.0394 34.334  9.3991 9.782406       9.878303 
1 1 1 28 15 25 o 24.818  5.2237 6.3602   2.1096  29.111  5.4654 20.524  8.9037 8.587103       10.44734 
1 1 1 28 15 27 o 27.977  5.1445 9.1723   2.0364  33.070  4.4407 22.885  9.2814 10.18576       10.28906 
1 1 1 28 15 29 o 44.932  4.6068 23.012   2.2843  48.672  3.5420 41.191  8.5056 7.481377       9.213606 
1 1 1 28 15 31 o 28.305  5.4582 9.8841   2.2714  31.668  6.0633 24.943  9.0777 6.725649       10.91641 
1 1 1 28 15 33 o 19.864  5.3939 1.1788   2.4099  11.884  5.7347 27.844  9.1373 -15.95953      10.78783 
1 1 1 28 15 35 o 14.325  4.6247 -1.9533  2.1655  15.041  6.4976 13.610  6.5828 1.431156       9.249385 
1 1 1 28 15 37 o 26.460  5.5152 9.6769   2.2117  28.254  6.6555 24.666  8.7963 3.588587       11.03043 
1 1 1 28 16 0  o 174.018 3.8200 304.184  13.281  174.018 3.8200 ?       ?      0.000000       0.000000 
1 1 1 28 16 2  o 72.519  4.3407 53.271   4.3859  73.496  6.6894 71.543  5.5334 1.953278       8.681411 
1 1 1 28 16 4  o 117.034 3.1599 138.592  5.1879  119.845 4.1024 114.223 4.8074 5.622017       6.319845 
1 1 1 28 16 6  o 143.168 3.0589 206.711  6.1928  141.932 4.3187 144.404 4.3332 -2.472122      6.117851 
1 1 1 28 16 8  o 78.711  2.3879 58.995   1.8991  74.309  1.7185 83.113  4.4558 -8.804321      4.775701 
1 1 1 28 16 10 o 125.831 2.3211 156.603  3.7808  121.853 2.4628 129.810 3.9350 -7.956467      4.642161 
1 1 1 28 16 12 o 83.445  3.2152 70.860   2.9998  84.587  2.5665 82.303  5.8961 2.284027       6.430453 
1 1 1 28 16 14 o 63.392  2.9395 39.520   1.8819  61.822  2.0656 64.962  5.5042 -3.139801      5.878988 
1 1 1 28 16 16 o 119.365 1.8876 143.649  2.8400  120.188 1.8594 118.542 3.2856 1.645638       3.775285 
1 1 1 28 16 18 o 81.690  2.9926 66.348   2.4482  80.413  2.0645 82.968  5.6179 -2.555077      5.985258 
1 1 1 28 16 20 o 70.764  2.7237 52.655   2.2135  74.785  2.2198 66.744  4.9746 8.041321       5.447413 
1 1 1 28 16 22 o 28.454  6.3252 6.9554   2.0560  20.013  6.1266 36.894  11.068 -16.88139      12.65034 
1 1 1 28 16 24 o 39.869  5.0351 16.403   2.2309  38.206  4.1781 41.533  9.1625 -3.327602      10.07012 
1 1 1 28 16 26 o 16.877  5.3274 -0.1212  2.1822  14.130  6.1223 19.623  8.7203 -5.492922      10.65484 
1 1 1 28 16 28 o 47.798  5.0145 24.710   2.7065  46.701  4.2384 48.894  9.0893 -2.193501      10.02890 
1 1 1 28 16 30 o 23.664  5.8314 6.4388   2.2583  22.451  7.1128 24.878  9.2427 -2.426514      11.66277 
1 1 1 28 16 32 o 15.649  4.9472 -0.5108  2.1283  15.081  6.3107 16.216  7.6205 -1.134851      9.894308 
1 1 1 28 16 34 o 16.146  4.9422 0.9528   2.0629  14.878  6.5696 17.414  7.3851 -2.536046      9.884305 
1 1 1 28 16 36 o 14.700  4.7538 -0.7236  2.1802  13.025  6.0979 16.374  7.2944 -3.349085      9.507548 
1 1 1 28 17 1  o 147.603 2.8340 219.599  5.8922  146.986 4.2137 148.219 3.7909 -1.233093      5.667959 
1 1 1 28 17 3  o 64.472  5.7195 43.090   5.1687  68.234  7.3924 60.710  8.7293 7.524380       11.43896 
1 1 1 28 17 5  o 96.566  3.0619 93.897   4.1703  94.495  4.1893 98.636  4.4666 -4.140930      6.123802 
1 1 1 28 17 7  o 106.196 3.4246 112.950  4.9516  109.094 5.5016 103.298 4.0796 5.795952       6.849167 
1 1 1 28 17 9  o 47.583  5.8506 24.623   1.9653  50.089  2.4220 45.077  11.448 5.011658       11.70113 
1 1 1 28 17 11 o 44.656  4.6046 21.114   2.0820  46.475  3.1599 42.836  8.6501 3.638660       9.209192 
1 1 1 28 17 13 o 27.543  5.3611 8.0344   2.0288  28.951  5.4921 26.136  9.2088 2.815447       10.72214 
1 1 1 28 17 15 o 100.189 2.6912 99.073   2.4466  98.355  1.6230 102.023 5.1319 -3.668709      5.382425 
1 1 1 28 17 17 o 104.813 2.1563 112.257  2.5952  107.126 1.7881 102.499 3.9245 4.627243       4.312653 
1 1 1 28 17 19 f 121.177 2.5354 147.500  3.2181  120.612 1.8529 121.742 4.7203 -1.130135      5.070900 
1 1 1 28 17 21 o 143.736 2.2150 207.468  3.7738  142.657 1.9694 144.814 3.9682 -2.157654      4.430018 
1 1 1 28 17 23 o 89.824  2.8862 82.477   2.7364  90.471  2.1173 89.176  5.3700 1.295609       5.772366 
1 1 1 28 17 25 o 34.895  5.0394 13.577   2.0117  36.203  4.0565 33.586  9.2264 2.616158       10.07874 
1 1 1 28 17 27 o 23.454  5.5121 6.1630   2.0987  23.851  6.8597 23.057  8.6300 0.7940121      11.02413 
1 1 1 28 17 29 o 24.806  6.3096 6.9167   2.4360  22.913  6.9335 26.699  10.544 -3.786177      12.61913 
1 1 1 28 17 31 o 19.232  5.5329 2.1264   2.5317  20.982  7.4701 17.482  8.1638 3.499887       11.06570 
1 1 1 28 17 33 o 25.037  5.8013 8.0239   2.3854  26.472  7.2617 23.602  9.0493 2.870285       11.60266 
1 1 1 28 17 35 o 19.899  5.7252 4.5099   2.4312  18.001  7.2892 21.797  8.8306 -3.795212      11.45039 
1 1 1 28 18 0  o 268.487 5.1887 726.107  27.839  268.487 5.1887 ?       ?      0.000000       0.000000 
1 1 1 28 18 2  o 179.584 3.1552 325.406  8.0121  177.186 4.4684 181.982 4.4559 -4.796188      6.310492 
1 1 1 28 18 4  o 49.360  6.2379 25.434   4.0971  50.042  10.178 48.678  7.2142 1.363686       12.47577 
1 1 1 28 18 6  o 97.075  3.3985 95.220   4.6576  101.486 4.7187 92.664  4.8923 8.821655       6.797049 
1 1 1 28 18 8  o 48.872  4.8088 23.093   1.4968  47.094  1.8981 50.649  9.4284 -3.555195      9.617593 
1 1 1 28 18 10 o 33.290  5.3357 12.029   1.9407  35.580  3.7686 31.001  9.9838 4.579414       10.67139 
1 1 1 28 18 12 o 55.849  4.2618 33.338   2.4469  59.077  2.9182 52.621  8.0085 6.455879       8.523611 
1 1 1 28 18 14 o 96.351  2.3996 92.263   2.4680  94.969  1.8153 97.733  4.4426 -2.764282      4.799120 
1 1 1 28 18 16 o 63.553  2.7418 41.393   1.8243  64.706  1.9736 62.400  5.1162 2.305706       5.483635 
1 1 1 28 18 18 o 65.582  3.9497 45.396   2.3218  67.906  2.2567 63.259  7.5701 4.646828       7.899351 
1 1 1 28 18 20 o 48.451  3.4814 25.563   1.8284  52.552  2.5515 44.351  6.4785 8.201420       6.962870 
1 1 1 28 18 22 o 61.624  2.7200 38.124   2.0840  60.004  2.6602 63.244  4.7451 -3.239479      5.439931 
1 1 1 28 18 24 o 26.677  4.9159 7.7721   2.2194  34.520  4.4392 18.834  8.7726 15.68616       9.831875 
1 1 1 28 18 26 o 17.058  5.1751 1.0348   1.9437  13.647  5.8920 20.469  8.5095 -6.822106      10.35026 
1 1 1 28 18 28 f 61.721  3.1222 40.157   2.4294  62.377  3.0709 61.066  5.4371 1.310608       6.244393 
1 1 1 28 18 30 o 50.633  4.1119 27.966   2.4689  51.104  3.6233 50.162  7.3827 0.9416313      8.223886 
1 1 1 28 18 32 o 21.624  6.1301 4.9145   2.7503  21.465  7.7008 21.784  9.5399 -0.3188095     12.26017 
1 1 1 28 18 34 o 32.708  6.2902 14.927   2.7383  33.395  6.3475 32.020  10.862 1.374569       12.58039 
1 1 1 28 19 1  o 62.411  4.9626 39.985   4.3735  60.762  7.2507 64.059  6.7778 -3.297031      9.925301 
1 1 1 28 19 3  o 58.417  5.0069 34.943   4.0627  59.056  7.7846 57.779  6.2990 1.276546       10.01383 
1 1 1 28 19 5  o 31.069  8.0075 8.7404   4.5405  27.685  10.576 34.453  12.026 -6.768335      16.01502 
1 1 1 28 19 7  o 86.422  3.8381 75.752   4.6563  89.451  5.7104 83.394  5.1299 6.057915       7.676213 
1 1 1 28 19 9  o 90.963  2.6599 82.196   2.6294  89.412  2.0709 92.513  4.9003 -3.101212      5.319891 
1 1 1 28 19 11 o 105.842 2.5951 113.800  3.2914  107.111 2.3249 104.573 4.6404 2.537399       5.190222 
1 1 1 28 19 13 o 90.927  2.5678 84.225   2.8355  92.357  2.3506 89.497  4.5660 2.860474       5.135511 
1 1 1 28 19 15 o 116.942 2.6662 137.806  3.1016  116.820 1.8037 117.063 5.0180 -0.2429962     5.332313 
1 1 1 28 19 17 o 65.112  3.1623 42.724   2.0648  64.648  2.1729 65.576  5.9395 -0.9277878     6.324506 
1 1 1 28 19 19 o 72.736  3.1391 54.894   2.2475  74.418  2.0592 71.055  5.9308 3.362617       6.278118 
1 1 1 28 19 21 o 84.215  2.4484 73.372   2.4946  86.580  2.2124 81.850  4.3685 4.730721       4.896809 
1 1 1 28 19 23 o 78.361  2.6531 63.084   2.4689  78.905  2.3467 77.816  4.7591 1.088638       5.306182 
1 1 1 28 19 25 o 56.088  4.0765 31.953   2.4782  53.309  3.2339 58.866  7.4843 -5.556713      8.153045 
1 1 1 28 19 27 o 16.538  5.2374 0.0605   2.1844  13.503  6.0240 19.573  8.5694 -6.069820      10.47488 
1 1 1 28 19 29 o 19.387  5.4076 3.5164   2.0358  17.855  6.6631 20.918  8.5188 -3.063128      10.81512 
1 1 1 28 19 31 o 23.316  5.8881 6.6663   2.3439  22.826  7.2394 23.807  9.2880 -0.9804935     11.77611 
1 1 1 28 19 33 o 24.578  6.4804 8.2354   2.6953  20.444  7.5564 28.711  10.530 -8.266714      12.96073 
1 1 1 28 20 0  f 41.902  10.957 21.326   7.9175  41.902  10.957 ?       ?      0.000000       0.000000 
1 1 1 28 20 2  o 112.927 3.3351 128.888  5.2992  118.384 4.8542 107.469 4.5748 10.91433       6.670190 
1 1 1 28 20 4  o 109.843 3.4122 122.730  5.2988  109.472 4.8994 110.215 4.7505 -0.7428207     6.824301 
1 1 1 28 20 6  o 137.632 3.1613 191.875  6.0631  138.744 4.8782 136.521 4.0222 2.222855       6.322546 
1 1 1 28 20 8  o 128.138 2.5216 161.143  3.6573  123.790 2.1148 132.486 4.5784 -8.695648      5.043244 
1 1 1 28 20 10 f 96.524  2.7712 95.915   3.0927  99.201  2.3171 93.847  5.0347 5.353775       5.542348 
1 1 1 28 20 12 o 78.019  3.2149 61.141   2.5941  77.280  2.3134 78.759  5.9993 -1.478523      6.429854 
1 1 1 28 20 14 o 49.745  4.1025 25.496   1.6978  50.288  2.1585 49.202  7.9160 1.086086       8.205045 
1 1 1 28 20 16 f 71.550  3.0588 50.096   2.1150  68.936  2.0377 74.164  5.7683 -5.227470      6.117625 
1 1 1 28 20 18 o 70.275  3.6068 54.583   2.2823  76.020  2.0158 64.531  6.9262 11.48873       7.213552 
1 1 1 28 20 20 o 52.110  4.1914 27.964   2.2384  51.221  2.9918 52.999  7.8309 -1.777851      8.382890 
1 1 1 28 20 22 o 35.838  4.7327 13.246   2.0572  31.991  4.7901 39.684  8.1638 -7.692600      9.465323 
1 1 1 28 20 24 o 21.102  6.0995 3.3375   2.3611  18.999  6.7140 23.205  10.185 -4.205862      12.19900 
1 1 1 28 20 26 o 16.409  5.2900 -0.9816  2.5109  14.403  6.5395 18.415  8.3170 -4.011852      10.58004 
1 1 1 28 20 28 o 19.007  5.2972 3.0612   2.1367  19.962  6.9849 18.052  7.9656 1.909868       10.59436 
1 1 1 28 20 30 o 15.759  4.9290 0.2165   2.1469  15.553  6.6630 15.965  7.2653 -0.4121962     9.857957 
1 1 1 28 20 32 o 18.819  5.2973 2.7849   2.4312  22.199  7.7265 15.439  7.2491 6.760325       10.59468 
1 1 1 28 21 1  o 103.015 3.9242 108.571  5.7130  100.079 5.6144 105.950 5.4841 -5.870003      7.848361 
1 1 1 28 21 3  o 90.152  3.5553 82.802   4.5298  88.715  4.9661 91.590  5.0891 -2.875839      7.110618 
1 1 1 28 21 5  o 84.248  4.2476 74.833   4.7317  90.364  4.5222 78.131  7.1915 12.23277       8.495177 
1 1 1 28 21 7  o 54.787  3.1541 27.134   1.2659  50.106  1.5292 59.468  6.1201 -9.361988      6.308247 
1 1 1 28 21 9  o 72.129  3.5200 52.587   2.3293  71.939  2.1302 72.319  6.7100 -0.3804016     7.040010 
1 1 1 28 21 11 o 60.447  3.6581 38.247   2.4019  62.469  2.7597 58.424  6.7758 4.044918       7.316242 
1 1 1 28 21 13 o 21.351  5.2043 3.3035   1.8775  23.413  5.3036 19.289  8.9561 4.124207       10.40867 
1 1 1 28 21 15 o 50.292  4.3508 27.819   1.7682  53.446  2.1504 47.139  8.4317 6.307430       8.701586 
1 1 1 28 21 17 o 23.821  5.1930 5.4250   1.7263  26.388  4.1135 21.254  9.5366 5.134352       10.38590 
1 1 1 28 21 19 o 29.546  5.8250 8.8066   1.8572  26.009  4.8450 33.083  10.595 -7.073908      11.64996 
1 1 1 28 21 21 o 27.159  5.5930 7.7046   1.9510  21.891  6.1590 32.427  9.3377 -10.53593      11.18594 
1 1 1 28 21 23 o 18.975  5.6627 2.1071   2.1454  15.614  6.3166 22.336  9.4003 -6.721726      11.32545 
1 1 1 28 21 25 o 31.888  5.7797 10.985   2.0648  28.042  5.2043 35.734  10.322 -7.691332      11.55937 
1 1 1 28 21 27 o 17.893  5.5725 1.0374   2.2072  12.914  5.8282 22.871  9.4996 -9.957587      11.14495 
1 1 1 28 21 29 o 15.277  4.8527 -0.2443  2.0987  14.363  6.2927 16.192  7.3889 -1.829105      9.705367 
1 1 1 28 21 31 f 13.513  4.5343 -2.6462  2.1851  12.214  5.7319 14.812  7.0274 -2.597712      9.068613 
1 1 1 28 22 0  f 106.756 5.7774 116.719  12.259  106.756 5.7774 ?       ?      0.000000       0.000000 
1 1 1 28 22 2  o 71.064  4.3861 52.153   4.3909  75.722  6.1555 66.406  6.2499 9.316116       8.772200 
1 1 1 28 22 4  o 65.890  5.8871 46.297   5.4501  71.525  7.9450 60.254  8.6895 11.27151       11.77411 
1 1 1 28 22 6  o 58.871  4.7048 35.734   3.8684  63.592  6.9280 54.150  6.3674 9.442539       9.409620 
1 1 1 28 22 8  o 51.572  5.2342 26.784   1.9653  50.506  2.4020 52.637  10.189 -2.130993      10.46848 
1 1 1 28 22 10 o 37.574  5.4049 15.793   2.1133  40.273  3.6465 34.874  10.176 5.398567       10.80978 
1 1 1 28 22 12 o 60.425  4.6095 38.203   2.7956  61.208  3.1295 59.642  8.6715 1.565472       9.218939 
1 1 1 28 22 14 o 55.647  3.5728 29.665   1.7096  52.481  2.0683 58.812  6.8397 -6.331520      7.145560 
1 1 1 28 22 16 o 38.134  5.2412 15.091   1.7038  37.174  2.9199 39.094  10.068 -1.919914      10.48245 
1 1 1 28 22 18 f 51.670  3.9192 27.097   2.0648  50.136  2.8018 53.205  7.3206 -3.068756      7.838418 
1 1 1 28 22 20 o 43.448  4.8928 20.875   2.1786  44.584  3.4371 42.311  9.1621 2.272758       9.785583 
1 1 1 28 22 22 o 17.455  5.5065 0.5555   2.0368  12.483  5.5559 22.428  9.5089 -9.944544      11.01309 
1 1 1 28 22 24 o 19.429  5.3532 2.6155   2.2072  20.908  6.7308 17.950  8.3261 2.958046       10.70647 
1 1 1 28 22 26 o 18.990  5.4095 2.0699   2.4115  20.716  7.1260 17.265  8.1408 3.451365       10.81906 
1 1 1 28 22 28 o 15.746  4.9561 0.1889   2.1655  15.144  6.5193 16.347  7.4665 -1.202981      9.912127 
1 1 1 28 22 30 o 21.190  5.5460 5.7933   2.1907  21.518  7.2550 20.861  8.3904 0.6568623      11.09210 
1 1 1 28 23 1  o 56.355  6.0771 34.638   4.5552  55.843  9.9630 56.866  6.9615 -1.023659      12.15413 
1 1 1 28 23 3  o 30.496  7.7118 9.6195   4.1498  31.096  9.7766 29.896  11.929 1.199705       15.42350 
1 1 1 28 23 5  o 37.847  6.8573 16.424   3.8907  46.209  9.0272 29.484  10.325 16.72414       13.71451 
1 1 1 28 23 7  f 50.950  4.5666 24.204   1.7741  46.983  2.3103 54.918  8.8362 -7.934715      9.133213 
1 1 1 28 23 9  o 70.391  2.6858 48.254   2.2072  66.321  2.4069 74.460  4.8021 -8.138130      5.371511 
1 1 1 28 23 11 o 70.554  3.9523 52.485   2.5859  72.501  2.3778 68.607  7.5384 3.893883       7.904504 
1 1 1 28 23 13 o 64.908  3.0130 43.730   1.8906  66.047  1.9335 63.769  5.7073 2.277931       6.025929 
1 1 1 28 23 15 o 66.718  3.3077 44.778   2.0418  65.423  2.0495 68.012  6.2900 -2.589050      6.615498 
1 1 1 28 23 17 o 70.325  3.8778 52.642   2.3576  72.171  2.1233 68.478  7.4593 3.692596       7.755657 
1 1 1 28 23 19 o 53.690  4.3531 31.441   2.1865  55.834  2.6302 51.546  8.2993 4.287601       8.706121 
1 1 1 28 23 21 o 32.429  5.5782 13.582   2.0990  38.235  3.6739 26.623  10.534 11.61234       11.15643 
1 1 1 28 23 23 o 24.238  6.0241 6.7681   2.2986  21.937  6.9882 26.538  9.8146 -4.600443      12.04826 
1 1 1 28 23 25 o 32.863  5.0440 14.073   2.1377  39.994  4.1509 25.732  9.1943 14.26253       10.08790 
1 1 1 28 23 27 o 34.314  5.5571 16.252   2.4248  41.232  4.3360 27.396  10.234 13.83524       11.11425 
1 1 1 28 23 29 o 25.753  5.6590 9.3988   2.4247  29.346  6.8609 22.159  9.0013 7.187162       11.31793 
1 1 1 28 24 0  o 34.684  12.201 16.729   7.6621  34.684  12.201 ?       ?      0.000000       0.000000 
1 1 1 28 24 2  o 74.486  5.2281 59.423   5.3918  75.317  6.4430 73.655  8.2354 1.661530       10.45630 
1 1 1 28 24 4  o 80.256  4.4393 67.900   4.8197  79.010  7.2732 81.503  5.0922 -2.493515      8.878615 
1 1 1 28 24 6  o 27.544  6.2076 6.8287   1.6193  25.263  3.7911 29.826  11.822 -4.562807      12.41525 
1 1 1 28 24 8  o 79.925  2.7349 64.577   2.4754  79.088  2.2605 80.762  4.9808 -1.674171      5.469770 
1 1 1 28 24 10 o 101.563 3.1613 106.090  3.2569  101.917 2.1927 101.209 5.9303 0.7085495      6.322674 
1 1 1 28 24 12 o 54.561  3.3579 32.682   1.4867  58.124  1.6478 50.998  6.5104 7.125782       6.715727 
1 1 1 28 24 14 o 52.619  4.2743 28.336   1.8230  51.878  2.2154 53.360  8.2565 -1.482117      8.548570 
1 1 1 28 24 16 o 32.087  5.1125 13.962   1.9234  41.214  3.0985 22.961  9.7443 18.25256       10.22503 
1 1 1 28 24 18 f 52.355  3.6391 28.733   1.8819  52.598  2.4279 52.112  6.8614 0.4853287      7.278261 
1 1 1 28 24 20 o 70.185  2.2211 50.649   2.2024  72.522  3.0815 67.848  3.1997 4.673561       4.442257 
1 1 1 28 24 22 o 63.322  2.7091 41.755   2.4112  58.419  3.8254 68.225  3.8371 -9.806362      5.418249 
1 1 1 28 24 24 o 56.049  2.9437 33.424   2.3301  53.934  4.2619 58.165  4.0617 -4.231266      5.887367 
1 1 1 28 24 26 f 23.208  6.0122 7.3735   2.5824  24.249  8.6889 22.166  8.3122 2.083191       12.02449 
1 1 1 28 24 28 o 37.058  4.4877 16.875   2.2662  32.486  7.0759 41.629  5.5217 -9.142925      8.975349 
1 1 1 28 25 1  o 73.077  4.2363 57.233   4.3268  75.851  5.3875 70.303  6.5392 5.548195       8.472651 
1 1 1 28 25 3  o 98.292  3.4818 100.780  4.7596  97.178  4.4022 99.405  5.3955 -2.226898      6.963552 
1 1 1 28 25 5  o 64.529  4.3709 41.249   1.9995  62.381  1.9448 66.677  8.5227 -4.295845      8.741788 
1 1 1 28 25 7  o 29.127  5.5159 8.5066   1.6788  26.779  4.0533 31.474  10.260 -4.694435      11.03176 
1 1 1 28 25 9  o 18.716  5.7508 1.1533   2.0951  16.250  6.0983 21.181  9.7519 -4.930269      11.50167 
1 1 1 28 25 11 o 20.616  4.7225 3.8959   1.0743  20.618  3.0968 20.615  8.9228 0.3236771E-02  9.444940 
1 1 1 28 25 13 o 20.898  5.9171 2.9970   2.0464  13.998  5.8916 27.799  10.263 -13.80101      11.83412 
1 1 1 28 25 15 o 16.361  4.6806 1.7083   1.6914  15.227  6.4068 17.495  6.8254 -2.267997      9.361216 
1 1 1 28 25 17 o 20.452  4.8362 4.6267   1.6503  18.252  6.5654 22.652  7.1029 -4.399830      9.672387 
1 1 1 28 25 19 o 52.987  2.8163 29.456   2.1051  53.727  3.8029 52.247  4.1551 1.480141       5.632674 
1 1 1 28 25 21 o 62.029  2.6918 40.243   2.3469  59.916  3.6233 64.142  3.9818 -4.225807      5.383602 
1 1 1 28 25 23 o 59.101  2.9305 37.299   2.3994  58.104  4.6154 60.098  3.6123 -1.993805      5.860952 
1 1 1 28 25 25 f 19.235  5.4369 4.0163   2.2626  21.169  8.0544 17.302  7.3052 3.866711       10.87380 
1 1 1 28 25 27 o 14.484  4.6927 -1.4686  2.2915  12.629  6.1262 16.338  7.1102 -3.708937      9.385362 
1 1 1 28 26 0  o 99.278  5.6989 102.799  11.238  99.278  5.6989 ?       ?      0.000000       0.000000 
1 1 1 28 26 2  o 78.252  4.7414 67.040   5.2326  76.483  7.0126 80.021  6.3834 -3.538246      9.482841 
1 1 1 28 26 4  o 33.879  5.4281 14.349   1.4628  38.928  2.2963 28.831  10.611 10.09661       10.85627 
1 1 1 28 26 6  o 38.292  4.1675 12.506   1.5108  30.193  3.1721 46.390  7.7077 -16.19709      8.334940 
1 1 1 28 26 8  o 30.075  6.3538 9.9136   2.2094  29.974  4.6865 30.177  11.812 -0.2032204     12.70756 
1 1 1 28 26 10 o 41.788  2.4269 17.811   1.3322  42.228  4.0825 41.347  2.6252 0.8808136      4.853724 
1 1 1 28 26 12 o 27.947  3.4851 8.4100   1.3378  24.725  5.3174 31.169  4.5067 -6.443981      6.970276 
1 1 1 28 26 14 o 22.776  4.5375 6.0019   1.5324  21.342  6.5529 24.210  6.2782 -2.868412      9.074991 
1 1 1 28 26 16 o 31.864  4.1912 11.466   1.8057  29.518  6.8349 34.211  4.8525 -4.693636      8.382302 
1 1 1 28 26 18 o 35.261  4.0220 14.047   1.9155  39.864  4.8051 30.659  6.4512 9.205194       8.044093 
1 1 1 28 26 20 o 40.290  3.5785 17.459   1.9933  43.024  5.4911 37.557  4.5903 5.467087       7.156974 
1 1 1 28 26 22 o 34.405  4.7010 14.439   2.2024  35.447  6.3546 33.363  6.9294 2.084202       9.402021 
1 1 1 28 26 24 o 18.037  5.3130 1.6030   2.5781  15.246  7.3456 20.828  7.6780 -5.581579      10.62594 
1 1 1 28 26 26 o 17.563  5.2575 2.8042   2.3196  18.985  7.5850 16.142  7.2825 2.843596       10.51509 
1 1 1 28 27 1  o 64.053  3.5909 40.016   1.6759  61.388  1.6642 66.717  6.9863 -5.329025      7.181787 
1 1 1 28 27 3  o 41.290  5.5851 17.514   1.6759  39.812  2.5661 42.769  10.871 -2.956684      11.17021 
1 1 1 28 27 5  o 25.422  6.2156 6.1044   1.8903  19.562  5.7956 31.282  10.998 -11.71918      12.43126 
1 1 1 28 27 7  o 15.997  3.5956 2.3559   0.7926  20.039  5.9481 11.955  4.0417 8.083788       7.191279 
1 1 1 28 27 9  o 27.972  3.4876 8.4781   1.2459  27.433  5.9845 28.511  3.5832 -1.078146      6.975159 
1 1 1 28 27 11 o 60.557  1.8779 37.610   1.5937  63.294  2.4211 57.820  2.8712 5.474152       3.755711 
1 1 1 28 27 13 o 66.679  2.1673 45.613   2.0352  65.550  2.9222 67.808  3.2016 -2.257530      4.334675 
1 1 1 28 27 15 o 49.144  2.5754 25.221   1.7878  50.508  3.5396 47.780  3.7418 2.728413       5.150709 
1 1 1 28 27 17 o 64.555  2.3466 43.382   2.1385  63.082  3.4414 66.027  3.1912 -2.945068      4.693284 
1 1 1 28 27 19 o 67.529  2.5455 47.962   2.4196  67.854  3.3876 67.205  3.8003 0.6487122      5.091012 
1 1 1 28 27 21 o 48.394  3.0756 25.378   2.0897  50.568  4.5456 46.219  4.1444 4.349243       6.151298 
1 1 1 28 27 23 o 34.595  4.8757 15.240   2.3196  32.771  7.7173 36.419  5.9609 -3.648354      9.751348 
1 1 1 28 28 0  o 34.429  2.4354 12.132   1.6601  34.429  2.4354 ?       ?      0.000000       0.000000 
1 1 1 28 28 2  o 40.227  1.7429 16.835   0.9407  37.360  2.9054 43.093  1.9262 -5.733372      3.485901 
1 1 1 28 28 4  o 16.797  3.6592 3.0733   0.9535  16.547  5.3889 17.046  4.9516 -0.4990959     7.318341 
1 1 1 28 28 6  o 9.9976  3.2694 -2.1709  1.0517  13.034  5.5569 6.9616  3.4463 6.072067       6.538800 
1 1 1 28 28 8  o 11.342  3.5431 -0.3904  1.1165  10.876  4.8609 11.809  5.1561 -0.9330673     7.086166 
1 1 1 28 28 10 o 47.398  2.2480 23.214   1.4944  46.697  3.4183 48.099  2.9204 -1.402012      4.495989 
1 1 1 28 28 12 o 70.609  2.1910 51.463   2.1409  70.873  2.7027 70.346  3.4491 0.5278168      4.381931 
1 1 1 28 28 14 o 54.433  2.2940 30.860   1.7507  52.913  3.4994 55.953  2.9670 -3.039677      4.587925 
1 1 1 28 28 16 o 60.121  2.4828 37.852   2.0993  60.108  3.7179 60.134  3.2916 -0.2644348E-01 4.965614 
1 1 1 28 28 18 o 38.680  4.1706 17.789   2.1347  33.370  6.9283 43.990  4.6447 -10.61999      8.341125 
1 1 1 28 28 20 o 14.052  4.5259 -0.6527  1.9865  13.941  6.5111 14.163  6.2883 -0.2216330     9.051861 
1 1 1 28 28 22 o 22.362  5.3643 6.9292   2.1246  19.905  8.1841 24.819  6.9371 -4.913847      10.72861 
1 1 1 28 29 1  o 15.515  3.9524 2.3460   1.1165  16.670  5.7155 14.360  5.4607 2.310010       7.904847 
1 1 1 28 29 3  f 23.869  3.2334 6.1993   1.0448  22.702  4.3749 25.037  4.7622 -2.334770      6.466724 
1 1 1 28 29 5  o 33.266  2.6087 11.604   1.1997  34.089  3.1842 32.442  4.1330 1.646595       5.217389 
1 1 1 28 29 7  o 21.107  3.6854 5.0825   1.1165  24.059  4.6785 18.154  5.6955 5.905159       7.370703 
1 1 1 28 29 9  o 24.833  3.6476 6.9057   1.2377  27.700  5.0257 21.966  5.2880 5.734690       7.295259 
1 1 1 28 29 11 o 44.263  2.7551 20.678   1.7216  44.066  3.7674 44.460  4.0212 -0.3939438     5.510283 
1 1 1 28 29 13 o 55.603  2.5298 32.562   1.9711  56.646  3.2688 54.560  3.8619 2.085831       5.059625 
1 1 1 28 29 15 o 52.031  2.6473 28.653   1.9218  53.906  4.0272 50.156  3.4372 3.749596       5.294587 
1 1 1 28 29 17 o 27.725  4.8230 9.7464   1.8571  27.374  7.4848 28.075  6.0845 -0.7004223     9.645934 
1 1 1 28 29 19 o 17.190  5.0286 2.8885   2.0108  16.195  6.9706 18.185  7.2498 -1.989998      10.05728 
1 1 1 28 30 0  o 40.380  4.5258 17.495   3.5756  40.380  4.5258 ?       ?      0.000000       0.000000 
1 1 1 28 30 2  o 21.135  4.1979 5.2590   1.3583  24.113  4.9365 18.157  6.7912 5.955997       8.395820 
1 1 1 28 30 4  o 20.752  4.1551 4.9612   1.2642  19.165  5.6299 22.340  6.1127 -3.174715      8.310301 
1 1 1 28 30 6  o 13.893  3.6512 0.6562   1.1458  9.1896  4.3639 18.596  5.8550 -9.406725      7.302355 
1 1 1 28 30 8  o 14.104  4.1281 1.0840   1.3661  13.275  5.8120 14.933  5.8640 -1.658560      8.256294 
1 1 1 28 30 10 o 40.878  3.0617 18.196   1.7507  42.470  3.9089 39.286  4.7133 3.183640       6.123323 
1 1 1 28 30 12 o 53.899  2.5180 30.840   1.9155  55.853  3.4295 51.944  3.6876 3.909302       5.035923 
1 1 1 28 30 14 o 49.621  2.7763 26.566   1.9469  49.942  3.8355 49.299  4.0150 0.6427803      5.552582 
1 1 1 28 30 16 f 23.866  5.3551 7.9096   2.0707  21.843  7.8186 25.889  7.3198 -4.045824      10.71027 
1 1 1 28 31 1  o 57.659  2.4664 34.895   1.9052  57.268  2.7874 58.050  4.0697 -0.7826881     4.932736 
1 1 1 28 31 3  o 27.613  4.0765 9.3115   1.4659  31.684  3.8290 23.542  7.1980 8.141148       8.153078 
1 1 1 28 31 5  o 17.211  4.5238 3.2203   1.4436  15.759  5.9435 18.663  6.8215 -2.903388      9.047512 
1 1 1 28 31 7  o 21.088  4.8109 5.4911   1.6503  18.362  6.5693 23.814  7.0301 -5.451591      9.621718 
1 1 1 28 31 9  o 34.894  3.7005 14.019   1.7553  38.044  4.5315 31.744  5.8514 6.299517       7.400912 
1 1 1 28 31 11 o 38.684  3.3519 16.812   1.8192  35.464  5.0413 41.904  4.4188 -6.440132      6.703772 
1 1 1 28 31 13 o 26.656  4.9345 9.3893   1.8830  27.084  6.8328 26.227  7.1211 0.8571720      9.868988 
1 1 1 28 32 0  o 14.801  7.9410 3.8310   3.1925  14.801  7.9410 ?       ?      0.000000       0.000000 
1 1 1 28 32 2  o 19.318  4.6117 4.5972   1.5324  17.160  6.4993 21.475  6.5446 -4.315248      9.223471 
1 1 1 28 32 4  o 19.049  4.9856 4.2871   1.7057  15.979  6.1760 22.119  7.8284 -6.139595      9.971292 
1 1 1 28 32 6  o 17.988  4.6743 3.8910   1.5585  17.840  6.4261 18.137  6.7897 -0.2971706     9.348534 
1 1 1 28 32 8  o 14.164  4.4683 0.3271   1.8192  14.476  6.3748 13.851  6.2629 0.6248960      8.936514 
1 1 1 29 1  0  o 20.304  8.1344 5.7465   3.1925  20.304  8.1344 ?       ?      0.000000       0.000000 
1 1 1 29 1  2  o 113.571 1.7698 129.163  2.8410  116.324 2.4701 110.817 2.5352 5.506187       3.539542 
1 1 1 29 1  4  o 135.138 1.7544 182.835  3.3494  135.558 2.5435 134.718 2.4172 0.8401947      3.508868 
1 1 1 29 1  6  o 40.896  3.0569 16.833   1.7414  40.335  4.7490 41.457  3.8504 -1.121525      6.113841 
1 1 1 29 1  8  o 100.654 1.8221 100.776  2.5383  103.364 2.8415 97.944  2.2817 5.419304       3.644224 
1 1 1 29 1  10 o 158.461 1.7719 251.392  3.9330  158.645 2.6966 158.277 2.2994 0.3682861      3.543846 
1 1 1 29 1  12 o 44.559  3.0381 19.487   1.8389  47.669  4.8220 41.448  3.6972 6.220745       6.076274 
1 1 1 29 1  14 o 75.156  2.2272 55.966   2.3003  78.390  3.5024 71.922  2.7521 6.468437       4.454345 
1 1 1 29 1  16 o 124.009 1.9171 153.812  3.2208  124.855 3.1195 123.164 2.2292 1.691360       3.834157 
1 1 1 29 1  18 o 90.974  2.1370 82.855   2.6291  91.583  3.4859 90.364  2.4731 1.219254       4.274078 
1 1 1 29 1  20 o 61.653  2.5509 38.111   2.0507  62.034  4.3230 61.271  2.7094 0.7625046      5.101891 
1 1 1 29 1  22 o 24.311  5.2071 5.9517   1.8841  21.773  6.6886 26.850  7.9823 -5.077019      10.41411 
1 1 1 29 1  24 o 36.707  3.7523 13.729   1.9469  36.609  5.4068 36.805  5.2045 -0.1966133     7.504685 
1 1 1 29 1  26 o 40.144  4.2379 16.622   2.3940  38.221  6.3482 42.068  5.6159 -3.847073      8.475717 
1 1 1 29 1  28 o 19.007  4.6012 3.2130   1.5937  15.847  6.5167 22.166  6.4974 -6.319087      9.202430 
1 1 1 29 1  30 o 36.832  4.2511 14.668   2.0157  39.307  4.3859 34.358  7.2836 4.948650       8.502164 
1 1 1 29 1  32 o 43.939  3.1859 20.004   1.9711  41.002  4.5161 46.876  4.4950 -5.873913      6.371820 
1 1 1 29 1  34 o 35.571  4.1705 13.856   2.0432  37.717  5.4172 33.425  6.3425 4.291866       8.341071 
1 1 1 29 1  36 o 19.983  5.2499 3.9304   1.9865  17.010  6.8469 22.956  7.9603 -5.946461      10.49982 
1 1 1 29 1  38 o 23.747  5.2985 6.8939   2.0412  26.940  7.5314 20.554  7.4549 6.385664       10.59705 
1 1 1 29 1  40 o 27.136  5.6467 10.023   2.3607  30.572  7.8867 23.699  8.0833 6.873009       11.29336 
1 1 1 29 2  1  o 124.814 1.6652 156.049  2.9357  123.660 2.4268 125.969 2.2809 -2.308556      3.330467 
1 1 1 29 2  3  o 98.394  1.6305 96.930   2.2626  98.324  2.4027 98.464  2.2048 -0.1393356     3.261016 
1 1 1 29 2  5  o 76.168  1.9000 58.088   2.0352  76.328  2.8442 76.007  2.5202 0.3208389      3.800091 
1 1 1 29 2  7  o 103.819 1.6848 107.848  2.4247  104.051 2.6387 103.586 2.0958 0.4645538      3.369691 
1 1 1 29 2  9  o 163.461 1.8648 267.592  4.3097  166.311 2.6107 160.611 2.6636 5.699478       3.729635 
1 1 1 29 2  11 o 88.195  2.0472 77.489   2.4312  89.574  3.3503 86.816  2.3535 2.757454       4.094304 
1 1 1 29 2  13 o 142.186 1.7734 202.799  3.5089  141.218 2.7581 143.154 2.2301 -1.935211      3.546884 
1 1 1 29 2  15 o 60.094  2.4875 36.216   1.9921  60.258  4.1325 59.931  2.7700 0.3267784      4.975028 
1 1 1 29 2  17 o 120.228 1.7299 144.698  2.8263  120.636 2.8052 119.820 2.0250 0.8154221      3.459718 
1 1 1 29 2  19 o 55.717  2.4871 31.301   1.9344  56.602  3.1586 54.833  3.8427 1.768864       4.974226 
1 1 1 29 2  21 o 74.467  2.2026 55.992   2.2827  76.510  2.7540 72.425  3.4383 4.084549       4.405236 
1 1 1 29 2  23 o 80.745  2.0859 65.649   2.3349  81.576  2.5829 79.913  3.2759 1.662743       4.171700 
1 1 1 29 2  25 o 72.292  1.9084 52.460   1.9344  71.573  2.4979 73.011  2.8860 -1.437782      3.816844 
1 1 1 29 2  27 o 23.748  5.8860 5.4066   2.3384  25.110  9.1722 22.386  7.3790 2.724482       11.77196 
1 1 1 29 2  29 o 52.603  2.7169 28.226   2.0108  49.037  4.0365 56.169  3.6376 -7.132107      5.433742 
1 1 1 29 2  31 o 25.863  5.2519 7.5010   2.0746  22.436  7.6210 29.291  7.2283 -6.855492      10.50373 
1 1 1 29 2  33 o 19.327  5.1494 3.4019   1.9469  20.703  7.3509 17.950  7.2131 2.753242       10.29873 
1 1 1 29 2  35 o 28.826  4.7807 9.7241   1.9469  33.263  6.1819 24.389  7.2941 8.873428       9.561401 
1 1 1 29 2  37 o 22.571  5.6447 5.8706   2.2303  25.444  8.5206 19.699  7.4061 5.744883       11.28937 
1 1 1 29 2  39 o 16.813  5.1597 1.3418   2.2447  15.720  6.8692 17.906  7.7008 -2.185688      10.31935 
1 1 1 29 2  41 o 16.498  5.0843 1.6101   2.1246  13.627  6.1580 19.370  8.0918 -5.742989      10.16851 
1 1 1 29 3  0  o 55.063  3.1525 30.648   3.4479  55.063  3.1525 ?       ?      0.000000       0.000000 
1 1 1 29 3  2  o 92.468  1.6356 85.501   2.1347  90.988  2.2456 93.947  2.3787 -2.959648      3.271251 
1 1 1 29 3  4  o 83.294  1.6826 69.515   1.9773  84.141  2.2766 82.448  2.4782 1.692871       3.365142 
1 1 1 29 3  6  o 196.096 1.8308 385.119  5.0759  194.613 2.6247 197.579 2.5530 -2.966385      3.661546 
1 1 1 29 3  8  o 206.111 1.9843 425.792  5.7783  201.695 2.8808 210.527 2.7296 -8.832550      3.968576 
1 1 1 29 3  10 o 167.844 1.7953 282.496  4.2266  166.325 2.7256 169.363 2.3374 -3.038666      3.590618 
1 1 1 29 3  12 o 68.205  2.0310 46.111   1.8841  70.472  3.2618 65.938  2.4209 4.533707       4.061975 
1 1 1 29 3  14 o 73.322  2.1632 54.829   2.1033  70.151  3.6408 76.493  2.3372 -6.342690      4.326401 
1 1 1 29 3  16 o 118.127 1.7605 139.491  2.9149  116.177 2.3083 120.077 2.6587 -3.899353      3.520949 
1 1 1 29 3  18 o 44.302  3.0952 20.470   1.8429  50.161  3.4368 38.443  5.1488 11.71825       6.190462 
1 1 1 29 3  20 o 132.532 1.7942 176.507  3.3445  134.767 2.3689 130.296 2.6952 4.470398       3.588315 
1 1 1 29 3  22 o 156.938 1.7778 247.226  3.8954  157.651 2.2681 156.225 2.7383 1.426041       3.555656 
1 1 1 29 3  24 o 61.469  2.6760 38.367   2.2702  62.887  3.2490 60.051  4.2531 2.835773       5.352092 
1 1 1 29 3  26 o 14.285  4.4564 -1.3689  1.8192  15.963  6.6791 12.607  5.9014 3.356064       8.912739 
1 1 1 29 3  28 o 29.576  4.8002 9.6249   1.9711  32.454  5.9256 26.698  7.5534 5.755533       9.600335 
1 1 1 29 3  30 o 48.092  3.1258 23.520   2.0374  46.988  3.6689 49.195  5.0618 -2.207294      6.251644 
1 1 1 29 3  32 o 22.432  5.4690 5.4215   2.1051  22.772  7.8506 22.092  7.6162 0.6802101      10.93797 
1 1 1 29 3  34 o 60.151  2.5775 37.214   2.1240  60.310  4.1289 59.991  3.0866 0.3192863      5.155073 
1 1 1 29 3  36 o 26.059  5.1649 8.1028   1.9773  25.815  7.1692 26.303  7.4370 -0.4875774     10.32989 
1 1 1 29 3  38 o 37.673  4.5300 16.536   2.3266  40.224  5.5558 35.121  7.1566 5.103271       9.060027 
1 1 1 29 3  40 o 13.911  4.4630 -0.6385  1.9155  14.417  6.4503 13.404  6.1698 1.013406       8.925984 
1 1 1 29 4  1  o 193.464 1.9021 374.884  5.2036  194.209 2.6631 192.720 2.7168 1.488831       3.804293 
1 1 1 29 4  3  o 161.303 1.6945 260.589  3.8606  160.309 2.4694 162.298 2.3212 -1.988815      3.389081 
1 1 1 29 4  5  o 139.215 1.6592 193.697  3.2251  140.461 2.5456 137.969 2.1288 2.492249       3.318451 
1 1 1 29 4  7  o 169.976 1.8877 288.533  4.5010  173.092 2.8404 166.860 2.4873 6.231964       3.775495 
1 1 1 29 4  9  o 145.602 1.7734 212.477  3.6216  144.732 2.6911 146.471 2.3104 -1.738754      3.546825 
1 1 1 29 4  11 o 121.970 1.5771 148.821  2.6952  122.664 2.3944 121.276 2.0533 1.387756       3.154270 
1 1 1 29 4  13 o 99.348  1.8440 98.900   2.5761  99.329  2.4427 99.368  2.7630 -0.3908539E-01 3.687980 
1 1 1 29 4  15 o 179.971 1.7941 325.391  4.4893  182.016 2.2451 177.926 2.7991 4.089462       3.588229 
1 1 1 29 4  17 o 168.865 1.7712 285.737  4.1793  168.506 2.2735 169.225 2.7166 -0.7190552     3.542467 
1 1 1 29 4  19 o 69.389  2.0323 48.294   1.9464  69.193  2.4915 69.585  3.2115 -0.3921432     4.064691 
1 1 1 29 4  21 o 56.410  2.2860 31.997   1.8192  59.235  3.1260 53.585  3.3364 5.650024       4.571989 
1 1 1 29 4  23 o 115.330 1.7342 134.037  2.7964  118.292 2.2131 112.367 2.6707 5.924782       3.468451 
1 1 1 29 4  25 o 83.670  2.6485 70.424   2.9039  83.022  2.8456 84.318  4.4678 -1.296310      5.297039 
1 1 1 29 4  27 o 28.067  4.7204 8.5163   1.8495  29.984  6.5684 26.150  6.7812 3.833759       9.440820 
1 1 1 29 4  29 o 29.480  4.6324 9.3849   1.8571  27.883  6.1206 31.077  6.9551 -3.193953      9.264732 
1 1 1 29 4  31 o 19.422  5.1919 3.2296   1.9608  16.903  6.8292 21.941  7.8221 -5.037586      10.38373 
1 1 1 29 4  33 o 40.731  3.8818 17.750   2.2348  39.947  5.5943 41.515  5.3830 -1.567608      7.763546 
1 1 1 29 4  35 o 19.330  5.4564 3.1890   2.2543  19.696  7.4058 18.963  8.0151 0.7327080      10.91277 
1 1 1 29 4  37 o 36.861  5.0499 16.029   2.5761  32.786  7.5513 40.936  6.7069 -8.150307      10.09975 
1 1 1 29 4  39 o 39.807  4.7033 18.985   2.4538  40.996  5.1397 38.619  7.8782 2.376942       9.406535 
1 1 1 29 4  41 o 18.677  5.2274 3.3271   2.3193  21.963  7.6119 15.391  7.1667 6.571993       10.45482 
1 1 1 29 5  0  o 376.020 3.8045 1416.46  28.605  376.020 3.8045 ?       ?      0.000000       0.000000 
1 1 1 29 5  2  o 250.229 2.0930 627.221  7.4061  247.693 2.9645 252.764 2.9555 -5.070114      4.186078 
1 1 1 29 5  4  o 244.892 2.0559 600.805  7.1192  243.261 2.9397 246.524 2.8749 -3.262848      4.111856 
1 1 1 29 5  6  o 348.636 2.6047 1219.38  12.831  344.675 3.7791 352.597 3.5855 -7.922150      5.209341 
1 1 1 29 5  8  o 295.507 2.3256 876.179  9.6985  291.232 3.4202 299.782 3.1522 -8.550415      4.651274 
1 1 1 29 5  10 o 139.705 1.6403 195.645  3.1988  138.888 2.5285 140.521 2.0902 -1.633301      3.280559 
1 1 1 29 5  12 o 113.435 1.7184 129.821  2.6682  116.330 2.0308 110.540 2.7726 5.790474       3.436790 
1 1 1 29 5  14 o 112.629 1.6833 126.515  2.5633  111.166 1.9529 114.092 2.7422 -2.926064      3.366540 
1 1 1 29 5  16 o 36.732  3.2278 13.571   1.6208  36.515  3.8469 36.949  5.1842 -0.4338150     6.455585 
1 1 1 29 5  18 o 67.598  2.0675 46.224   1.9218  69.657  2.4749 65.538  3.3124 4.119102       4.134913 
1 1 1 29 5  20 o 17.615  4.8289 1.8881   1.7308  18.174  6.4381 17.056  7.1989 1.118679       9.657814 
1 1 1 29 5  22 o 69.681  2.1139 48.821   2.0629  70.072  2.7336 69.289  3.2253 0.7826843      4.227891 
1 1 1 29 5  24 o 74.593  2.1154 56.410   2.1802  76.953  2.5722 72.233  3.3590 4.720062       4.230702 
1 1 1 29 5  26 o 29.697  3.8421 9.2779   1.5637  33.564  4.7559 25.830  6.0355 7.734524       7.684099 
1 1 1 29 5  28 o 88.812  1.9319 79.558   2.4263  89.315  2.7166 88.309  2.7475 1.006523       3.863770 
1 1 1 29 5  30 o 42.875  2.7921 18.813   1.6914  41.479  4.0023 44.271  3.8941 -2.791355      5.584134 
1 1 1 29 5  32 o 65.911  2.5484 44.752   2.3556  64.121  3.8835 67.701  3.3009 -3.579697      5.096847 
1 1 1 29 5  34 o 41.588  3.6125 18.459   2.0993  40.051  5.5797 43.125  4.5898 -3.074032      7.224921 
1 1 1 29 5  36 o 20.665  5.2560 4.6297   1.9986  19.161  7.6070 22.170  7.2550 -3.008806      10.51199 
1 1 1 29 5  38 o 18.202  5.1758 2.5947   2.0993  21.192  7.8887 15.212  6.7026 5.979932       10.35159 
1 1 1 29 5  40 o 23.266  5.2776 7.2222   1.9986  21.684  7.8129 24.848  7.0972 -3.164097      10.55516 
1 1 1 29 6  1  o 180.291 1.7912 325.562  4.5651  178.200 2.5798 182.382 2.4857 -4.182236      3.582450 
1 1 1 29 6  3  f 139.707 1.6968 195.393  3.3518  137.721 2.4108 141.694 2.3883 -3.973083      3.393542 
1 1 1 29 6  5  o 139.490 1.6194 194.872  3.1925  136.561 2.3378 142.420 2.2416 -5.859100      3.238865 
1 1 1 29 6  7  o 209.773 1.8947 440.793  5.6159  209.415 2.7441 210.130 2.6132 -0.7155151     3.789312 
1 1 1 29 6  9  o 135.327 1.7970 183.698  3.3799  136.270 2.2491 134.385 2.8033 1.885117       3.593991 
1 1 1 29 6  11 o 206.273 1.9053 426.996  5.4697  207.800 2.3967 204.745 2.9626 3.055283       3.810671 
1 1 1 29 6  13 o 205.839 1.9438 424.384  5.4335  205.320 2.2702 206.358 3.1560 -1.037888      3.887697 
1 1 1 29 6  15 o 108.455 1.6664 117.847  2.4538  108.432 1.9432 108.478 2.7076 -0.4576111E-01 3.332730 
1 1 1 29 6  17 o 113.412 1.7297 129.408  2.7084  115.078 2.1084 111.747 2.7427 3.331406       3.459411 
1 1 1 29 6  19 o 48.643  2.6550 24.195   1.7787  52.274  3.1758 45.011  4.2557 7.263638       5.310008 
1 1 1 29 6  21 o 43.305  2.8397 18.942   1.7027  43.784  3.4999 42.826  4.4728 0.9577141      5.679357 
1 1 1 29 6  23 o 46.347  2.5952 21.471   1.6432  44.906  3.1281 47.788  4.1419 -2.882736      5.190464 
1 1 1 29 6  25 o 99.684  1.8607 99.847   2.6039  99.180  2.4464 100.187 2.8042 -1.007813      3.721310 
1 1 1 29 6  27 f 55.844  2.4665 31.580   1.9469  57.262  3.4567 54.427  3.5194 2.834938       4.933064 
1 1 1 29 6  29 o 22.472  4.8853 5.3965   1.7216  23.950  6.6817 20.993  7.1288 2.956764       9.770630 
1 1 1 29 6  31 o 59.254  2.5988 36.130   2.1690  57.645  3.8768 60.863  3.4620 -3.218185      5.197597 
1 1 1 29 6  33 o 25.996  4.9157 7.7898   1.8517  24.468  7.1327 27.524  6.7662 -3.055231      9.831380 
1 1 1 29 6  35 o 29.041  5.2500 10.337   2.2123  33.154  5.9978 24.928  8.6184 8.225708       10.50000 
1 1 1 29 6  37 o 15.391  4.7442 -0.7625  2.1246  17.214  6.8810 13.567  6.5330 3.647761       9.488302 
1 1 1 29 6  39 o 19.254  5.4132 4.1197   2.0987  17.612  6.8347 20.896  8.3963 -3.284426      10.82642 
1 1 1 29 6  41 o 20.755  5.5174 5.1744   2.4578  15.740  7.1403 25.769  8.4134 -10.02838      11.03488 
1 1 1 29 7  0  o 58.632  1.7458 34.479   2.0432  58.632  1.7458 ?       ?      0.000000       0.000000 
1 1 1 29 7  2  o 50.306  1.3962 25.396   0.9887  48.845  2.0915 51.767  1.8501 -2.921860      2.792396 
1 1 1 29 7  4  o 136.867 1.7155 186.834  3.1987  135.215 2.0305 138.518 2.7657 -3.302505      3.431067 
1 1 1 29 7  6  o 294.797 2.3786 872.219  9.5905  295.895 2.8268 293.700 3.8262 2.194946       4.757212 
1 1 1 29 7  8  o 229.484 2.0872 525.464  6.5073  226.455 2.4530 232.514 3.3777 -6.059189      4.174465 
1 1 1 29 7  10 o 64.997  1.7816 42.166   1.5975  64.080  2.1921 65.914  2.8092 -1.834068      3.563285 
1 1 1 29 7  12 o 103.867 1.7010 108.325  2.3882  104.546 1.9544 103.188 2.7845 1.357651       3.401915 
1 1 1 29 7  14 o 87.134  1.7288 76.595   1.9921  88.563  1.8745 85.705  2.9055 2.857681       3.457695 
1 1 1 29 7  16 o 33.587  3.4103 11.950   1.4835  37.550  3.5708 29.624  5.8111 7.926031       6.820503 
1 1 1 29 7  18 o 101.405 1.6766 103.293  2.3837  102.714 2.1757 100.096 2.5516 2.617180       3.353244 
1 1 1 29 7  20 o 138.213 1.8137 191.867  3.4549  138.982 2.2052 137.445 2.8802 1.537201       3.627481 
1 1 1 29 7  22 o 55.157  2.7031 30.670   2.0993  54.552  3.6284 55.762  4.0077 -1.210880      5.406178 
1 1 1 29 7  24 o 47.918  2.9866 23.840   1.9050  51.337  3.2338 44.499  5.0221 6.837872       5.973123 
1 1 1 29 7  26 o 65.207  2.6424 43.228   2.1377  65.784  2.5236 64.629  4.6434 1.155167       5.284810 
1 1 1 29 7  28 o 83.825  1.8610 70.907   2.1987  84.313  2.4991 83.336  2.7582 0.9767761      3.722010 
1 1 1 29 7  30 o 20.275  5.4619 3.6245   2.1409  22.318  8.2373 18.232  7.1748 4.085436       10.92384 
1 1 1 29 7  32 o 16.842  4.6844 -0.0128  1.8964  10.951  5.2802 22.732  7.7392 -11.78180      9.368866 
1 1 1 29 7  34 o 44.087  3.4357 20.754   2.1347  44.293  4.6130 43.882  5.0927 0.4112167      6.871328 
1 1 1 29 7  36 o 27.214  4.8131 8.8246   1.8495  27.990  6.5053 26.439  7.0955 1.551403       9.626256 
1 1 1 29 7  38 o 26.916  5.2047 9.1625   2.0412  28.445  7.3550 25.387  7.3661 3.057592       10.40943 
1 1 1 29 7  40 o 17.373  5.2380 2.1657   2.3196  20.201  8.1016 14.545  6.6415 5.656032       10.47599 
1 1 1 29 8  1  o 70.683  1.3105 49.638   1.2895  73.115  2.0086 68.250  1.6840 4.864677       2.621079 
1 1 1 29 8  3  o 140.916 2.5305 197.404  4.7708  137.761 2.8736 144.072 4.1659 -6.310928      5.060901 
1 1 1 29 8  5  o 40.219  2.7251 14.918   1.3760  46.199  4.5608 34.238  2.9838 11.96107       5.450142 
1 1 1 29 8  7  f 57.455  1.6498 33.635   1.3082  63.791  2.0019 51.118  2.6231 12.67290       3.299675 
1 1 1 29 8  9  o 137.714 1.5338 189.196  2.9110  135.770 1.8811 139.658 2.4231 -3.887863      3.067607 
1 1 1 29 8  11 o 142.013 1.6210 202.761  3.1862  144.221 1.9923 139.805 2.5576 4.415787       3.241960 
1 1 1 29 8  13 o 67.610  1.7145 46.631   1.5733  71.687  1.9595 63.532  2.8140 8.155243       3.429056 
1 1 1 29 8  15 o 28.949  3.8241 9.2722   1.4575  35.632  3.7631 22.267  6.6585 13.36519       7.648246 
1 1 1 29 8  17 o 103.900 1.6408 108.188  2.3599  103.778 2.0304 104.023 2.5780 -0.2448959     3.281545 
1 1 1 29 8  19 o 175.910 1.9151 311.354  4.5781  177.542 2.2297 174.277 3.1142 3.265137       3.830117 
1 1 1 29 8  21 o 83.318  1.9315 69.662   2.2447  82.971  2.4626 83.665  2.9763 -0.6949615     3.863014 
1 1 1 29 8  23 o 95.961  1.8915 92.940   2.4538  97.173  2.1684 94.749  3.0999 2.423752       3.783013 
1 1 1 29 8  25 o 85.609  1.9520 73.984   2.2776  86.369  2.2917 84.849  3.1606 1.520164       3.904018 
1 1 1 29 8  27 o 44.752  3.4630 20.855   2.1004  46.841  3.9531 42.663  5.6871 4.177906       6.926031 
1 1 1 29 8  29 o 53.791  2.6858 29.571   2.0412  55.414  3.8024 52.168  3.7942 3.246365       5.371635 
1 1 1 29 8  31 o 15.606  4.8764 -0.6346  2.0587  13.055  5.9886 18.157  7.6975 -5.102611      9.752719 
1 1 1 29 8  33 o 27.205  5.4320 8.5504   2.1654  23.560  7.3451 30.850  8.0046 -7.289783      10.86392 
1 1 1 29 8  35 o 44.339  3.4647 21.139   2.1004  45.332  4.0846 43.346  5.5975 1.985882       6.929389 
1 1 1 29 8  37 o 29.810  5.7469 11.405   2.4754  28.528  7.8253 31.093  8.4185 -2.564362      11.49377 
1 1 1 29 8  39 o 18.008  5.3975 2.6313   2.4246  19.850  8.0432 16.167  7.2000 3.683548       10.79504 
1 1 1 29 9  0  o 147.503 4.2935 218.624  12.642  147.503 4.2935 ?       ?      0.000000       0.000000 
1 1 1 29 9  2  o 110.547 3.2155 123.102  5.0121  114.969 4.3319 106.124 4.7531 8.844467       6.430959 
1 1 1 29 9  4  o 240.742 2.8343 573.396  8.3001  235.335 2.6589 246.149 5.0064 -10.81389      5.668638 
1 1 1 29 9  6  o 130.474 1.9725 170.608  3.6395  129.984 2.7999 130.963 2.7790 -0.9787445     3.944931 
1 1 1 29 9  8  o 123.101 1.9429 151.444  3.3732  128.194 2.7892 118.008 2.7053 10.18525       3.885705 
1 1 1 29 9  10 o 66.201  1.7950 45.954   1.4855  71.969  1.6857 60.433  3.1696 11.53538       3.589986 
1 1 1 29 9  12 o 77.079  1.6957 60.188   1.7057  78.976  1.7786 75.183  2.8875 3.793663       3.391370 
1 1 1 29 9  14 o 102.156 1.6330 104.683  2.2776  102.501 1.9311 101.811 2.6340 0.6906967      3.266056 
1 1 1 29 9  16 o 95.325  1.6967 91.204   2.2303  95.725  2.0678 94.924  2.6906 0.8010025      3.393362 
1 1 1 29 9  18 o 135.396 1.7300 183.705  3.2359  135.088 2.1270 135.703 2.7290 -0.6148376     3.459960 
1 1 1 29 9  20 o 64.278  2.1360 42.475   1.8787  71.347  2.5058 57.210  3.4598 14.13655       4.271935 
1 1 1 29 9  22 o 35.439  3.7999 13.315   1.7673  38.740  4.1205 32.138  6.3858 6.601494       7.599801 
1 1 1 29 9  24 o 46.421  2.9871 22.233   1.8964  49.379  3.4913 43.463  4.8480 5.916855       5.974279 
1 1 1 29 9  26 o 39.867  3.2841 16.266   1.8495  40.394  4.7420 39.340  4.5446 1.054535       6.568102 
1 1 1 29 9  28 o 43.369  3.4639 19.109   2.0123  41.680  3.9830 45.058  5.6682 -3.378704      6.927729 
1 1 1 29 9  30 o 38.457  3.8100 15.515   2.0511  36.374  5.0906 40.539  5.6701 -4.164612      7.620007 
1 1 1 29 9  32 o 14.538  4.4923 -0.0789  1.7274  14.062  6.0442 15.014  6.6477 -0.9517727     8.984619 
1 1 1 29 9  34 o 30.688  5.2062 11.194   2.2275  29.743  7.1597 31.633  7.5603 -1.889458      10.41249 
1 1 1 29 9  36 o 34.620  4.8685 14.310   2.2968  34.071  7.1609 35.168  6.5979 -1.097252      9.737050 
1 1 1 29 9  38 o 15.782  4.9507 0.6829   2.1802  16.489  7.3227 15.075  6.6646 1.413609       9.901462 
1 1 1 29 9  40 o 16.091  4.9468 1.6988   2.1051  15.210  6.7417 16.973  7.2410 -1.762866      9.893588 
1 1 1 29 10 1  o 87.939  3.6196 77.895   4.5012  87.726  5.0949 88.152  5.1427 -0.4265366     7.239132 
1 1 1 29 10 3  o 66.247  4.5995 44.341   4.2983  67.651  6.7011 64.843  6.3020 2.808212       9.198927 
1 1 1 29 10 5  o 164.708 2.2640 272.092  4.5786  164.811 2.1308 164.604 3.9954 0.2078552      4.528090 
1 1 1 29 10 7  o 148.487 2.3403 220.251  4.3967  147.336 2.3402 149.638 4.0537 -2.301376      4.680656 
1 1 1 29 10 9  o 185.355 2.2600 346.192  5.6308  187.519 2.5538 183.191 3.7294 4.328400       4.520006 
1 1 1 29 10 11 o 22.186  5.4052 3.5563   1.7278  14.578  5.7177 29.794  9.1746 -15.21625      10.81045 
1 1 1 29 10 13 o 77.339  1.6866 60.026   1.7744  77.656  1.9733 77.022  2.7357 0.6341858      3.373114 
1 1 1 29 10 15 o 174.933 1.7972 305.812  4.2937  172.899 2.1419 176.967 2.8864 -4.067581      3.594337 
1 1 1 29 10 17 o 172.059 1.7792 297.133  4.1827  172.577 2.1089 171.541 2.8661 1.036438       3.558347 
1 1 1 29 10 19 o 101.742 1.6587 103.924  2.3193  102.158 2.0001 101.325 2.6466 0.8327637      3.317368 
1 1 1 29 10 21 o 68.663  2.0705 46.287   1.9256  63.778  2.5028 73.548  3.2989 -9.770409      4.140933 
1 1 1 29 10 23 o 77.058  1.9924 59.529   2.1540  74.908  2.6424 79.208  2.9826 -4.300194      3.984743 
1 1 1 29 10 25 o 21.346  5.3390 4.2652   1.9921  21.784  6.8473 20.908  8.1936 0.8760281      10.67801 
1 1 1 29 10 27 o 38.712  4.4668 16.389   2.1907  41.907  4.4185 35.516  7.7645 6.391121       8.933680 
1 1 1 29 10 29 o 41.099  3.1106 17.655   1.7787  42.840  3.8751 39.357  4.8670 3.482948       6.221248 
1 1 1 29 10 31 o 24.154  5.1400 6.3553   2.2042  29.564  6.2411 18.744  8.1687 10.81932       10.28007 
1 1 1 29 10 33 o 14.446  4.7101 -2.6065  2.2776  14.912  6.6194 13.980  6.7025 0.9326553      9.420220 
1 1 1 29 10 35 o 36.014  4.2874 14.931   2.0746  30.812  6.9966 41.217  4.9572 -10.40539      8.574744 
1 1 1 29 10 37 o 26.721  5.7895 9.5520   2.3735  25.725  7.7797 27.716  8.5760 -1.990221      11.57891 
1 1 1 29 10 39 o 15.528  4.8047 1.2182   2.0108  15.745  6.8197 15.312  6.7700 0.4332380      9.609448 
1 1 1 29 11 0  o 136.745 3.7886 187.848  10.344  136.745 3.7886 ?       ?      0.000000       0.000000 
1 1 1 29 11 2  f 82.648  3.4430 68.845   4.0216  82.097  4.9776 83.198  4.7582 -1.101616      6.885967 
1 1 1 29 11 4  o 143.356 2.9329 206.891  5.9353  141.022 4.3013 145.690 3.9882 -4.667679      5.865748 
1 1 1 29 11 6  o 128.280 2.1363 160.828  3.1705  123.818 1.8564 132.741 3.8481 -8.922264      4.272525 
1 1 1 29 11 8  o 98.229  2.3914 95.863   2.8656  96.660  2.2459 99.797  4.2227 -3.136742      4.782822 
1 1 1 29 11 10 o 101.687 2.9077 104.283  3.2295  102.168 2.2498 101.207 5.3626 0.9613495      5.815415 
1 1 1 29 11 12 o 118.917 2.2948 144.473  3.2208  122.078 1.9875 115.756 4.1370 6.321358       4.589620 
1 1 1 29 11 14 o 125.723 2.0163 159.080  2.9937  126.351 1.7687 125.094 3.6240 1.256851       4.032552 
1 1 1 29 11 16 o 123.583 2.0231 150.893  2.7787  121.268 1.6322 125.897 3.7023 -4.629288      4.046122 
1 1 1 29 11 18 o 70.610  3.1289 50.408   2.1695  70.941  2.0701 70.279  5.9054 0.6618118      6.257734 
1 1 1 29 11 20 o 97.457  2.3928 95.776   2.6936  97.718  2.0256 97.195  4.3357 0.5223007      4.785560 
1 1 1 29 11 22 o 115.108 2.3342 136.625  2.9875  118.734 1.8284 111.483 4.2955 7.251266       4.668474 
1 1 1 29 11 24 o 49.202  3.5830 25.600   2.1727  52.225  3.3010 46.179  6.3604 6.046844       7.165944 
1 1 1 29 11 26 o 27.092  6.5175 7.1648   2.5105  22.676  7.1014 31.509  10.931 -8.833572      13.03498 
1 1 1 29 11 28 o 27.179  5.1008 8.3756   1.9500  27.550  6.1790 26.809  8.1173 0.7408276      10.20152 
1 1 1 29 11 30 o 20.986  5.5983 4.1746   2.0684  18.412  6.6930 23.561  8.9760 -5.148724      11.19662 
1 1 1 29 11 32 o 17.413  5.3343 1.1238   2.2067  15.336  6.4942 19.490  8.4644 -4.153784      10.66869 
1 1 1 29 11 34 o 17.665  5.2121 0.8707   2.3882  19.985  7.5224 15.345  7.2164 4.640084       10.42415 
1 1 1 29 11 36 o 17.526  5.4255 0.9194   2.5480  17.649  7.2390 17.404  8.0833 0.2451134      10.85091 
1 1 1 29 11 38 o 19.026  5.4373 3.4054   2.3837  20.467  7.1177 17.584  8.2217 2.882799       10.87466 
1 1 1 29 12 1  o 72.971  3.4340 53.672   3.5411  73.611  4.9442 72.331  4.7669 1.279449       6.867928 
1 1 1 29 12 3  o 139.380 3.1908 195.629  6.2852  138.375 4.4297 140.385 4.5937 -2.009644      6.381602 
1 1 1 29 12 5  o 41.070  7.4093 17.544   4.7034  29.196  11.031 52.943  9.8947 -23.74662      14.81860 
1 1 1 29 12 7  o 47.800  3.3627 23.544   1.4521  48.962  1.9561 46.638  6.4346 2.324108       6.725344 
1 1 1 29 12 9  o 71.138  2.7413 49.371   2.2802  68.191  2.4345 74.086  4.9125 -5.895592      5.482645 
1 1 1 29 12 11 o 61.913  3.0625 35.764   2.2309  55.257  2.8888 68.569  5.4009 -13.31125      6.124930 
1 1 1 29 12 13 o 74.582  3.2636 55.709   2.4393  74.187  2.2377 74.976  6.1316 -0.7893677     6.527159 
1 1 1 29 12 15 o 39.988  4.9010 17.893   1.5828  43.419  2.3529 36.556  9.5154 6.862274       9.802003 
1 1 1 29 12 17 o 46.791  3.6650 22.671   1.7484  48.126  2.5208 45.456  6.8829 2.669945       7.329963 
1 1 1 29 12 19 o 33.167  5.5782 13.337   1.8964  39.495  3.0716 26.838  10.725 12.65696       11.15639 
1 1 1 29 12 21 o 74.757  2.6929 57.693   2.2675  77.079  2.1538 72.435  4.9363 4.644760       5.385742 
1 1 1 29 12 23 f 102.615 2.6738 109.780  2.7669  106.313 1.8018 98.916  5.0349 7.396561       5.347574 
1 1 1 29 12 25 o 20.570  5.5159 3.4757   1.9988  17.853  6.5511 23.286  8.8760 -5.433281      11.03179 
1 1 1 29 12 27 o 81.959  2.9156 68.678   2.6074  81.962  2.2592 81.956  5.3757 0.5722046E-02  5.831106 
1 1 1 29 12 29 o 81.546  2.7257 70.297   2.5100  85.182  2.1738 77.910  4.9992 7.272041       5.451380 
1 1 1 29 12 31 o 45.452  4.6683 24.199   2.1822  50.537  3.1586 40.367  8.7862 10.17027       9.336693 
1 1 1 29 12 33 o 17.022  5.2142 0.8194   2.2348  14.546  6.4805 19.498  8.1705 -4.952865      10.42847 
1 1 1 29 12 35 o 14.494  4.5512 -1.5462  2.0511  16.693  6.8765 12.295  5.9638 4.397634       9.102332 
1 1 1 29 12 37 o 16.318  5.0868 1.1781   2.2123  14.989  6.5997 17.646  7.7426 -2.656424      10.17366 
1 1 1 29 13 0  o 15.180  10.192 -2.4263  8.4283  15.180  10.192 ?       ?      0.000000       0.000000 
1 1 1 29 13 2  o 58.053  4.0825 33.979   3.3275  56.301  5.4436 59.805  6.0855 -3.504230      8.164968 
1 1 1 29 13 4  o 82.173  3.4066 68.128   3.9587  81.901  4.8336 82.445  4.8017 -0.5439148     6.813175 
1 1 1 29 13 6  o 92.865  3.9840 87.510   5.1707  91.671  6.1294 94.058  5.0913 -2.387077      7.968082 
1 1 1 29 13 8  o 141.833 2.3836 194.605  3.9020  134.724 2.0853 148.943 4.2869 -14.21933      4.767194 
1 1 1 29 13 10 o 131.770 2.5932 170.332  3.9020  127.556 2.2025 135.985 4.6954 -8.428978      5.186322 
1 1 1 29 13 12 o 80.654  2.9783 63.775   2.8044  77.676  2.6304 83.632  5.3443 -5.955978      5.956552 
1 1 1 29 13 14 o 102.362 1.8789 106.376  2.3774  104.537 1.7713 100.186 3.3141 4.351624       3.757732 
1 1 1 29 13 16 o 119.206 2.3495 141.810  3.1210  118.183 1.8909 120.229 4.3017 -2.045593      4.698968 
1 1 1 29 13 18 o 85.829  2.1839 74.875   2.2135  87.197  1.9039 84.460  3.9311 2.736870       4.367866 
1 1 1 29 13 20 o 55.261  3.3259 30.818   2.0483  54.969  2.6716 55.552  6.0917 -0.5825844     6.651814 
1 1 1 29 13 22 o 22.309  5.5807 4.4658   1.9137  18.719  6.3190 25.899  9.2003 -7.179941      11.16136 
1 1 1 29 13 24 o 27.854  6.0659 7.7422   2.0907  25.528  5.6527 30.180  10.735 -4.651825      12.13189 
1 1 1 29 13 26 o 38.392  4.4628 15.282   2.0432  36.403  4.2096 40.381  7.8705 -3.978455      8.925586 
1 1 1 29 13 28 o 28.218  5.6907 8.9587   2.1218  28.120  5.6483 28.315  9.8810 -0.1944885     11.38143 
1 1 1 29 13 30 o 30.186  5.4663 11.010   2.1133  34.654  4.2377 25.717  10.078 8.937195       10.93264 
1 1 1 29 13 32 o 21.147  5.9247 4.3141   2.5386  19.896  7.5959 22.398  9.0947 -2.502588      11.84950 
1 1 1 29 13 34 o 22.600  5.8624 6.1280   2.3854  22.038  7.5010 23.161  9.0115 -1.123484      11.72484 
1 1 1 29 13 36 o 16.652  5.0875 1.6934   2.1654  16.272  6.8658 17.032  7.5095 -0.7598209     10.17509 
1 1 1 29 13 38 o 17.558  5.4019 2.6523   2.4312  16.151  7.0165 18.964  8.2153 -2.812637      10.80382 
1 1 1 29 14 1  f 132.457 3.2039 176.860  5.9992  134.795 4.5474 130.119 4.5145 4.676193       6.407779 
1 1 1 29 14 3  o 177.429 2.7481 315.581  6.8480  172.449 3.6655 182.408 4.0955 -9.959381      5.496290 
1 1 1 29 14 5  o 54.669  4.7142 29.116   3.4979  45.504  6.3144 63.834  7.0018 -18.33032      9.428492 
1 1 1 29 14 7  o 84.454  3.8595 72.038   4.5405  85.950  5.9430 82.958  4.9259 2.992142       7.719096 
1 1 1 29 14 9  f 54.051  3.2107 27.952   1.8543  50.839  2.5118 57.263  5.9097 -6.423824      6.421340 
1 1 1 29 14 11 o 26.986  5.5296 7.4558   2.0710  29.064  5.2447 24.907  9.7365 4.156702       11.05918 
1 1 1 29 14 13 o 44.863  4.1514 18.412   2.3397  36.245  4.7564 53.480  6.8053 -17.23560      8.302724 
1 1 1 29 14 15 o 37.828  4.2874 14.175   1.5324  36.529  2.7967 39.128  8.1059 -2.599304      8.574817 
1 1 1 29 14 17 o 111.792 2.2516 125.766  2.8291  111.902 1.8259 111.682 4.1163 0.2195511      4.503129 
1 1 1 29 14 19 o 114.558 2.1973 132.298  2.9359  114.849 1.8902 114.268 3.9673 0.5807724      4.394621 
1 1 1 29 14 21 o 78.224  2.8377 62.352   2.3610  78.925  2.1034 77.523  5.2713 1.402115       5.675436 
1 1 1 29 14 23 o 29.018  5.4755 7.7673   1.9207  20.494  6.0973 37.542  9.0965 -17.04827      10.95100 
1 1 1 29 14 25 o 35.115  5.2175 14.471   2.0970  39.447  3.8848 30.783  9.6850 8.663921       10.43510 
1 1 1 29 14 27 o 57.789  3.1311 35.244   2.1692  59.854  2.7736 55.724  5.6146 4.130047       6.262285 
1 1 1 29 14 29 o 51.695  3.6724 28.471   2.2695  52.961  3.2551 50.429  6.5840 2.532654       7.344726 
1 1 1 29 14 31 o 15.340  4.9202 -1.8451  2.3264  15.598  6.6721 15.082  7.2330 0.5166979      9.840410 
1 1 1 29 14 33 o 23.045  6.0368 6.2075   2.3936  20.505  7.2327 25.584  9.6674 -5.078783      12.07357 
1 1 1 29 14 35 o 15.455  4.9249 0.0213   2.2117  14.875  6.5193 16.036  7.3836 -1.161463      9.849754 
1 1 1 29 14 37 o 16.624  5.2653 1.2819   2.4732  14.960  6.7717 18.289  8.0647 -3.328847      10.53067 
1 1 1 29 15 0  o 142.684 4.2146 204.960  12.004  142.684 4.2146 ?       ?      0.000000       0.000000 
1 1 1 29 15 2  o 111.888 3.1961 126.594  5.0369  113.926 4.2595 109.850 4.7663 4.075531       6.392206 
1 1 1 29 15 4  o 53.774  6.0088 30.816   4.3409  46.773  9.7404 60.775  7.0390 -14.00162      12.01766 
1 1 1 29 15 6  o 129.543 2.8053 168.737  5.1302  134.776 3.9795 124.311 3.9550 10.46455       5.610575 
1 1 1 29 15 8  o 140.003 2.8856 197.265  5.7059  143.176 4.1474 136.830 4.0131 6.346436       5.771128 
1 1 1 29 15 10 o 117.095 2.5107 138.428  3.4905  117.954 2.2194 116.237 4.5044 1.716827       5.021462 
1 1 1 29 15 12 o 132.865 2.2786 176.281  4.0245  130.734 2.5397 134.996 3.7838 -4.262421      4.557125 
1 1 1 29 15 14 o 39.041  5.0924 17.221   2.0598  43.303  3.3914 34.779  9.6035 8.524021       10.18473 
1 1 1 29 15 16 o 24.927  5.3384 5.8209   1.5553  22.569  4.6833 27.286  9.5948 -4.716785      10.67680 
1 1 1 29 15 18 f 24.964  5.5783 5.9406   1.7469  23.810  4.9875 26.119  9.9797 -2.309319      11.15661 
1 1 1 29 15 20 o 54.948  3.6540 31.767   2.0271  56.995  2.4646 52.900  6.8799 4.095226       7.308013 
1 1 1 29 15 22 o 19.062  5.1806 1.6941   1.9689  20.234  6.1131 17.890  8.3656 2.344135       10.36115 
1 1 1 29 15 24 o 35.985  5.4894 14.046   2.1232  36.107  4.0673 35.862  10.198 0.2445107      10.97870 
1 1 1 29 15 26 o 26.636  5.5575 7.9157   2.0684  25.247  6.3289 28.025  9.1373 -2.777636      11.11510 
1 1 1 29 15 28 o 30.477  5.5696 11.113   2.4094  34.799  5.3211 26.155  9.7862 8.644152       11.13930 
1 1 1 29 15 30 o 32.036  5.1986 12.268   2.0572  34.967  4.3825 29.105  9.4285 5.861769       10.39725 
1 1 1 29 15 32 o 32.679  5.6354 13.054   2.4720  30.698  6.8339 34.660  8.9625 -3.962147      11.27074 
1 1 1 29 15 34 o 18.336  5.5073 2.7270   2.3083  17.048  6.8532 19.624  8.6228 -2.576832      11.01452 
1 1 1 29 15 36 o 16.935  5.3455 1.2883   2.3439  13.129  6.0523 20.742  8.8129 -7.612456      10.69101 
1 1 1 29 16 1  o 100.102 3.3600 101.220  4.7549  98.975  4.7093 101.229 4.7937 -2.254074      6.719932 
1 1 1 29 16 3  o 71.083  4.2487 51.571   4.2458  75.179  5.6055 66.987  6.3863 8.191689       8.497396 
1 1 1 29 16 5  o 136.562 3.3420 188.214  6.4261  137.765 4.9592 135.360 4.4812 2.405502       6.683920 
1 1 1 29 16 7  o 87.599  3.5071 77.445   4.3184  89.056  5.2339 86.143  4.6697 2.913673       7.014215 
1 1 1 29 16 9  o 78.120  3.0299 62.728   2.4019  79.978  2.0757 76.262  5.6933 3.715599       6.059877 
1 1 1 29 16 11 o 51.973  3.7712 26.830   2.1031  50.783  2.8918 53.162  6.9661 -2.379387      7.542473 
1 1 1 29 16 13 o 22.601  5.4894 4.1668   2.1567  24.695  6.2074 20.508  9.0555 4.187428       10.97882 
1 1 1 29 16 15 o 81.328  2.9910 67.949   2.4882  82.982  2.0775 79.675  5.6097 3.307159       5.982049 
1 1 1 29 16 17 o 57.764  3.1424 33.911   1.8543  58.044  2.2001 57.483  5.8871 0.5605583      6.284733 
1 1 1 29 16 19 f 75.576  3.0997 59.059   2.2653  77.225  1.9844 73.926  5.8732 3.298264       6.199341 
1 1 1 29 16 21 o 48.127  3.8797 24.944   2.1283  51.349  3.1086 44.905  7.1095 6.443886       7.759409 
1 1 1 29 16 23 o 47.072  3.7484 22.701   2.0242  46.178  3.1802 47.966  6.7889 -1.788326      7.496865 
1 1 1 29 16 25 o 21.064  5.4586 3.9117   2.1844  22.660  6.7932 19.469  8.5463 3.191402       10.91725 
1 1 1 29 16 27 o 56.218  3.2330 32.877   2.4053  55.699  3.5537 56.737  5.4018 -1.037830      6.465909 
1 1 1 29 16 29 o 30.854  5.5827 11.733   2.3694  34.797  5.1378 26.912  9.9131 7.885221       11.16546 
1 1 1 29 16 31 o 28.829  5.8776 10.572   2.4720  29.505  7.0178 28.154  9.4305 1.351011       11.75519 
1 1 1 29 16 33 o 16.196  5.0264 0.9901   2.0691  14.710  6.3056 17.683  7.8294 -2.973167      10.05286 
1 1 1 29 16 35 o 13.625  4.7006 -5.1506  2.6392  12.402  5.8910 14.848  7.3267 -2.446322      9.401235 
1 1 1 29 17 0  o 268.189 4.8365 723.937  25.923  268.189 4.8365 ?       ?      0.000000       0.000000 
1 1 1 29 17 2  o 225.147 3.3821 512.418  10.737  225.265 4.9887 225.030 4.5682 0.2347260      6.764284 
1 1 1 29 17 4  o 112.504 3.0644 128.142  4.7444  111.041 4.8877 113.966 3.6977 -2.925743      6.128798 
1 1 1 29 17 6  o 73.403  4.1876 54.808   4.3184  74.258  6.2769 72.548  5.5447 1.709602       8.375155 
1 1 1 29 17 8  o 75.693  4.1599 58.635   4.4374  79.688  5.6088 71.697  6.1448 7.990433       8.319710 
1 1 1 29 17 10 o 86.539  2.7222 73.803   2.6701  83.953  2.2816 89.125  4.9433 -5.171982      5.444416 
1 1 1 29 17 12 o 159.619 2.7767 260.104  5.1052  162.302 2.3211 156.937 5.0450 5.364655       5.553326 
1 1 1 29 17 14 o 98.045  2.3027 96.458   2.9710  97.025  2.5007 99.064  3.8672 -2.038765      4.605309 
1 1 1 29 17 16 o 117.675 2.4099 140.657  3.1210  118.801 1.8811 116.550 4.4375 2.251305       4.819739 
1 1 1 29 17 18 o 103.137 2.2864 105.657  2.6074  101.134 1.8309 105.140 4.1903 -4.006165      4.572845 
1 1 1 29 17 20 o 87.654  2.2324 78.877   2.2986  89.766  1.9205 85.541  4.0307 4.224640       4.464857 
1 1 1 29 17 22 o 27.346  4.9445 8.3208   1.8284  29.052  4.8352 25.640  8.6264 3.412445       9.889078 
1 1 1 29 17 24 o 17.434  5.1965 1.3075   1.9289  13.859  5.9355 21.010  8.5313 -7.150839      10.39292 
1 1 1 29 17 26 o 32.789  5.7884 12.215   2.3654  32.879  5.2434 32.699  10.321 0.1797676      11.57689 
1 1 1 29 17 28 o 23.729  5.8901 6.6106   2.4247  23.290  7.8556 24.167  8.7785 -0.8769894     11.78018 
1 1 1 29 17 30 f 22.257  5.6807 5.6706   2.1537  21.578  6.8559 22.935  9.0596 -1.357481      11.36131 
1 1 1 29 17 32 f 29.511  5.7121 11.097   2.3650  27.131  7.1818 31.890  8.8844 -4.759573      11.42414 
1 1 1 29 17 34 o 14.350  4.8603 -2.9540  2.5109  12.010  5.7804 16.690  7.8151 -4.680605      9.720562 
1 1 1 29 18 1  o 211.333 3.2226 451.435  9.5322  209.081 4.1838 213.585 4.9027 -4.503876      6.445226 
1 1 1 29 18 3  o 134.318 2.8732 181.659  5.4277  138.251 4.2490 130.385 3.8687 7.865570       5.746337 
1 1 1 29 18 5  o 64.177  4.9653 42.535   4.4831  63.668  6.6189 64.685  7.4033 -1.016159      9.930655 
1 1 1 29 18 7  o 41.314  7.1833 18.908   4.0533  41.252  11.495 41.376  8.6172 -0.1246529     14.36661 
1 1 1 29 18 9  o 100.004 2.4576 98.571   2.7673  97.258  2.0352 102.751 4.4742 -5.492264      4.915287 
1 1 1 29 18 11 o 148.400 2.6766 224.123  4.7388  150.348 2.3782 146.452 4.7958 3.896271       5.353120 
1 1 1 29 18 13 o 95.662  2.6462 91.963   3.2335  94.502  2.7026 96.823  4.5502 -2.321342      5.292345 
1 1 1 29 18 15 o 112.613 2.6195 131.525  3.0255  116.093 1.8150 109.134 4.9146 6.959175       5.238998 
1 1 1 29 18 17 o 96.403  2.2986 94.649   2.5818  97.573  1.9632 95.232  4.1569 2.340714       4.597160 
1 1 1 29 18 19 o 78.917  3.0968 63.015   2.5076  78.443  2.1977 79.392  5.7906 -0.9493179     6.193595 
1 1 1 29 18 21 f 87.823  2.4777 79.911   2.6494  90.163  2.2661 85.483  4.4069 4.679985       4.955443 
1 1 1 29 18 23 o 46.160  4.8454 25.139   2.3263  52.152  3.3056 40.167  9.1096 11.98492       9.690850 
1 1 1 29 18 25 o 39.362  5.7771 16.055   2.4980  34.577  4.9859 44.148  10.423 -9.570820      11.55424 
1 1 1 29 18 27 o 20.148  5.5344 3.2509   2.3774  21.854  7.2550 18.441  8.3597 3.413019       11.06889 
1 1 1 29 18 29 o 20.749  5.7482 4.3871   2.3083  19.773  7.0935 21.725  9.0471 -1.952246      11.49643 
1 1 1 29 18 31 o 18.198  5.3505 2.5421   2.2407  18.201  6.9829 18.194  8.1086 0.6469727E-02  10.70093 
1 1 1 29 18 33 o 16.362  5.0985 1.2203   2.2915  15.236  6.8405 17.487  7.5621 -2.251089      10.19696 
1 1 1 29 19 0  o 148.597 4.6507 223.221  13.792  148.597 4.6507 ?       ?      0.000000       0.000000 
1 1 1 29 19 2  o 124.175 2.9997 156.199  5.2659  121.840 4.2448 126.510 4.2395 -4.670380      5.999353 
1 1 1 29 19 4  o 66.898  5.4813 46.769   5.0684  67.434  6.7227 66.362  8.6594 1.071678       10.96269 
1 1 1 29 19 6  f 61.358  4.7823 38.856   4.1414  64.019  6.7821 58.698  6.7442 5.321125       9.564597 
1 1 1 29 19 8  o 57.409  6.9965 35.629   5.4564  67.453  9.0873 47.365  10.641 20.08809       13.99296 
1 1 1 29 19 10 o 78.776  2.9456 63.344   2.5728  79.713  2.3229 77.838  5.4140 1.874336       5.891251 
1 1 1 29 19 12 o 43.167  4.9857 20.625   2.1678  46.342  3.3068 39.992  9.4070 6.349701       9.971317 
1 1 1 29 19 14 o 32.964  5.1274 11.320   2.0992  30.427  5.4428 35.501  8.6912 -5.073889      10.25481 
1 1 1 29 19 16 o 58.302  3.6476 32.770   1.8119  55.441  2.0730 61.163  6.9944 -5.721779      7.295143 
1 1 1 29 19 18 o 102.751 2.2905 111.693  2.7099  109.325 1.8689 96.177  4.1825 13.14745       4.581031 
1 1 1 29 19 20 o 70.822  3.8752 55.501   2.4100  75.724  2.1080 65.921  7.4581 9.802757       7.750327 
1 1 1 29 19 22 o 26.541  5.4731 8.0888   2.0483  28.608  5.3321 24.475  9.5598 4.132374       10.94627 
1 1 1 29 19 24 o 57.879  3.3576 35.006   2.3547  57.952  3.0850 57.806  5.9646 0.1462059      6.715181 
1 1 1 29 19 26 o 18.593  5.6503 1.8597   2.1606  16.338  6.3147 20.848  9.3716 -4.510527      11.30056 
1 1 1 29 19 28 o 20.865  6.2649 3.5652   2.7065  16.836  7.0349 24.895  10.368 -8.059155      12.52979 
1 1 1 29 19 30 o 24.807  5.1734 7.7533   2.1892  30.249  6.5187 19.365  8.0350 10.88335       10.34672 
1 1 1 29 19 32 o 17.241  5.1708 2.3662   2.1033  14.795  6.4456 19.687  8.0872 -4.891623      10.34161 
1 1 1 29 20 1  o 31.790  7.7351 10.564   4.2054  30.841  10.681 32.739  11.191 -1.898096      15.47013 
1 1 1 29 20 3  o 29.591  6.9128 8.1475   3.8184  35.835  9.4754 23.348  10.068 12.48778       13.82564 
1 1 1 29 20 5  o 46.591  6.9560 23.925   4.2941  48.173  11.091 45.009  8.3984 3.163460       13.91193 
1 1 1 29 20 7  o 29.067  7.6994 7.9175   4.2780  28.478  10.838 29.657  10.939 -1.178783      15.39887 
1 1 1 29 20 9  o 53.655  2.9273 28.125   1.7278  51.270  2.3662 56.039  5.3551 -4.768951      5.854611 
1 1 1 29 20 11 o 59.455  4.6512 38.875   2.5528  63.667  2.7078 55.244  8.8996 8.422646       9.302410 
1 1 1 29 20 13 o 29.606  5.2612 9.8330   2.0708  33.281  4.6044 25.931  9.4615 7.350204       10.52240 
1 1 1 29 20 15 o 58.712  4.2565 35.220   1.9411  58.661  2.0681 58.763  8.2580 -0.1022110     8.513032 
1 1 1 29 20 17 o 46.557  3.8948 23.096   1.7770  48.058  2.5244 45.056  7.3692 3.002518       7.789531 
1 1 1 29 20 19 o 43.156  5.2150 22.447   2.0557  48.850  2.8756 37.463  10.026 11.38735       10.42990 
1 1 1 29 20 21 o 27.288  5.3671 8.4455   1.9742  29.109  4.8256 25.466  9.5885 3.643654       10.73429 
1 1 1 29 20 23 o 32.871  5.3142 12.508   2.0970  34.308  4.4666 31.435  9.6443 2.872807       10.62840 
1 1 1 29 20 25 o 43.318  4.9606 23.413   2.2275  51.009  3.2546 35.627  9.3721 15.38169       9.921159 
1 1 1 29 20 27 o 24.855  6.2458 7.1439   2.2751  21.089  6.7250 28.621  10.527 -7.531729      12.49156 
1 1 1 29 20 29 o 18.662  5.6731 2.0096   2.6212  18.645  7.2108 18.679  8.7601 -0.3474998E-01 11.34614 
1 1 1 29 20 31 o 14.982  4.9023 -0.7360  2.2902  13.607  6.1908 16.358  7.6030 -2.750205      9.804619 
1 1 1 29 21 0  o 77.854  6.3139 62.957   9.7053  77.854  6.3139 ?       ?      0.000000       0.000000 
1 1 1 29 21 2  o 81.635  4.0021 68.984   4.5963  85.621  5.2947 77.650  6.0027 7.970848       8.004165 
1 1 1 29 21 4  o 145.324 3.1394 215.495  6.4489  147.939 4.3592 142.710 4.5189 5.228439       6.278739 
1 1 1 29 21 6  o 132.165 3.1118 178.843  5.7769  121.968 4.6592 142.362 4.1263 -20.39424      6.223649 
1 1 1 29 21 8  o 59.833  4.9094 37.799   4.1503  61.327  6.7675 58.339  7.1141 2.988018       9.818830 
1 1 1 29 21 10 o 46.374  4.3855 22.286   1.9689  46.355  2.8926 46.394  8.2803 -0.3993225E-01 8.771048 
1 1 1 29 21 12 o 68.598  3.3206 46.382   2.5327  65.479  2.7304 71.718  6.0540 -6.239716      6.641235 
1 1 1 29 21 14 o 66.617  3.5037 47.342   2.6084  69.868  2.7416 63.366  6.4489 6.501354       7.007476 
1 1 1 29 21 16 o 32.494  5.2780 11.292   1.6654  32.392  3.3510 32.595  10.010 -0.2023277     10.55601 
1 1 1 29 21 18 o 20.555  5.6086 3.5669   1.7318  16.927  5.7158 24.184  9.6518 -7.256630      11.21725 
1 1 1 29 21 20 o 25.163  6.5386 6.2651   2.2548  21.367  6.3860 28.958  11.412 -7.591141      13.07729 
1 1 1 29 21 22 o 40.118  5.3362 18.847   2.2535  42.467  3.7589 37.768  9.9886 4.698158       10.67246 
1 1 1 29 21 24 o 49.034  4.0976 27.063   2.2412  52.457  3.1647 45.610  7.5596 6.847340       8.195262 
1 1 1 29 21 26 o 31.325  5.6921 12.401   2.4121  32.555  6.1092 30.095  9.6061 2.459734       11.38416 
1 1 1 29 21 28 o 18.942  5.6528 2.0790   2.6294  19.712  7.2044 18.172  8.7129 1.540541       11.30562 
1 1 1 29 21 30 o 29.217  6.1061 12.224   2.4991  30.819  6.0156 27.616  10.628 3.203390       12.21212 
1 1 1 29 22 1  o 54.721  6.2028 33.618   4.1688  50.893  10.977 58.549  5.7799 -7.655930      12.40563 
1 1 1 29 22 3  o 51.576  6.1306 29.414   4.3409  48.273  9.4640 54.879  7.7953 -6.605961      12.26114 
1 1 1 29 22 5  o 56.979  5.7657 35.328   4.5893  53.707  8.9164 60.251  7.3122 -6.544022      11.53130 
1 1 1 29 22 7  o 27.596  7.7750 5.5199   4.7731  24.838  10.953 30.354  11.038 -5.516005      15.54991 
1 1 1 29 22 9  o 32.439  5.6636 11.977   1.8061  35.487  3.2387 29.390  10.854 6.097162       11.32710 
1 1 1 29 22 11 o 44.336  5.3528 21.426   2.1948  45.516  3.2265 43.157  10.208 2.358906       10.70568 
1 1 1 29 22 13 o 50.235  4.6872 27.470   2.3057  51.794  3.0819 48.677  8.8533 3.117199       9.374437 
1 1 1 29 22 15 o 20.942  5.3978 3.8810   1.4991  18.154  5.0785 23.730  9.5265 -5.576336      10.79562 
1 1 1 29 22 17 o 36.352  4.6883 14.777   1.7383  38.038  3.1894 34.667  8.8176 3.370975       9.376672 
1 1 1 29 22 19 o 39.978  4.8172 16.023   1.9778  36.030  3.7215 43.927  8.8866 -7.897339      9.634398 
1 1 1 29 22 21 o 18.837  5.7111 2.0495   2.0464  14.024  5.8965 23.651  9.7825 -9.627476      11.42219 
1 1 1 29 22 23 o 15.964  5.0421 0.0426   2.0364  14.501  6.0595 17.428  8.0606 -2.926514      10.08416 
1 1 1 29 22 25 o 19.374  5.6756 3.1241   2.3397  18.436  6.9156 20.312  9.0012 -1.875937      11.35110 
1 1 1 29 22 27 o 24.749  6.0868 8.2990   2.4621  22.402  7.5010 27.097  9.5881 -4.695419      12.17358 
1 1 1 29 22 29 o 26.465  6.6265 10.246   2.6400  24.234  7.1547 28.697  11.156 -4.463209      13.25309 
1 1 1 29 23 0  o 47.793  8.8850 25.923   7.6621  47.793  8.8850 ?       ?      0.000000       0.000000 
1 1 1 29 23 2  o 51.538  7.4467 31.217   5.1976  52.169  9.5337 50.907  11.442 1.262096       14.89343 
1 1 1 29 23 4  o 71.681  4.5755 54.083   4.5655  73.461  7.0404 69.902  5.8459 3.558464       9.151041 
1 1 1 29 23 6  o 49.100  5.9527 27.121   4.0185  51.211  7.6056 46.988  9.1593 4.222244       11.90539 
1 1 1 29 23 8  o 76.675  2.9453 56.227   2.1448  71.752  1.9577 81.599  5.5557 -9.846397      5.890560 
1 1 1 29 23 10 o 91.264  2.9449 83.003   3.0973  87.478  2.5547 95.051  5.3068 -7.572693      5.889724 
1 1 1 29 23 12 o 73.475  3.1299 53.198   2.6074  69.065  2.6810 77.885  5.6567 -8.819580      6.259874 
1 1 1 29 23 14 o 38.828  4.8412 16.495   2.1560  38.895  4.1040 38.761  8.7696 0.1338539      9.682407 
1 1 1 29 23 16 o 32.604  5.7616 11.375   1.8061  31.886  3.6044 33.321  10.945 -1.434996      11.52310 
1 1 1 29 23 18 o 17.035  5.3548 0.8876   1.8572  14.020  5.6414 20.050  9.1033 -6.030549      10.70959 
1 1 1 29 23 20 o 45.419  5.2011 25.548   2.1995  51.993  2.9473 38.845  9.9758 13.14848       10.40212 
1 1 1 29 23 22 o 58.425  4.0906 39.423   2.4249  63.945  2.6960 52.904  7.7242 11.04090       8.181181 
1 1 1 29 23 24 o 30.591  5.7536 12.024   2.3392  33.898  4.8974 27.283  10.413 6.615114       11.50712 
1 1 1 29 23 26 o 22.992  5.5116 6.8723   2.1844  24.998  6.5589 20.986  8.8597 4.012335       11.02328 
1 1 1 29 23 28 o 25.716  6.1519 9.7209   2.5100  26.099  6.9635 25.332  10.144 0.7667046      12.30382 
1 1 1 29 24 1  o 56.953  6.3066 38.235   4.7752  63.898  7.0947 50.007  10.429 13.89071       12.61326 
1 1 1 29 24 3  o 109.837 3.2554 125.865  5.0410  107.134 4.8275 112.539 4.3687 -5.404472      6.510767 
1 1 1 29 24 5  o 98.064  4.7452 104.805  6.5741  97.210  6.8967 98.918  6.5195 -1.708023      9.490428 
1 1 1 29 24 7  o 20.146  5.4563 3.0746   1.2967  17.208  4.4278 23.084  9.9738 -5.876066      10.91253 
1 1 1 29 24 9  o 23.613  5.8719 5.2822   1.8276  19.089  5.8242 28.137  10.198 -9.047293      11.74379 
1 1 1 29 24 11 o 23.189  6.1078 4.7772   2.2208  22.873  6.0481 23.505  10.613 -0.6326504     12.21568 
1 1 1 29 24 13 o 32.985  5.4746 12.015   2.2695  29.706  6.0135 36.264  9.1501 -6.557781      10.94928 
1 1 1 29 24 15 f 17.456  5.2117 1.8076   1.5108  14.322  5.1865 20.590  9.0415 -6.267676      10.42344 
1 1 1 29 24 17 o 18.317  5.1743 2.5127   1.7159  17.245  5.7158 19.390  8.6268 -2.144587      10.34853 
1 1 1 29 24 19 o 42.208  5.3725 22.515   2.1329  48.568  3.0237 35.848  10.311 12.71965       10.74507 
1 1 1 29 24 21 o 38.672  5.6307 18.866   2.2856  43.014  3.7110 34.331  10.632 8.683079       11.26134 
1 1 1 29 24 23 o 41.339  6.0686 20.218   2.5528  40.218  4.2865 42.459  11.355 -2.241028      12.13721 
1 1 1 29 24 25 o 20.781  5.7803 4.9420   2.4135  21.271  7.0004 20.292  9.2000 0.9785404      11.56050 
1 1 1 29 24 27 o 17.577  5.4275 2.3802   2.5386  17.582  7.2967 17.573  8.0367 0.8520126E-02  10.85503 
1 1 1 29 25 0  o 56.578  8.3488 35.501   9.0668  56.578  8.3488 ?       ?      0.000000       0.000000 
1 1 1 29 25 2  o 75.029  4.3986 60.743   4.4695  74.711  7.1789 75.346  5.0846 -0.6350327     8.797103 
1 1 1 29 25 4  o 79.631  5.1651 70.603   5.7929  74.128  7.4077 85.135  7.1999 -11.00719      10.33017 
1 1 1 29 25 6  o 45.804  3.7679 19.399   1.2659  41.818  1.8322 49.791  7.3096 -7.972305      7.535710 
1 1 1 29 25 8  o 20.984  5.5363 3.8326   1.7153  19.828  5.3502 22.140  9.6943 -2.311565      11.07265 
1 1 1 29 25 10 o 39.202  6.0912 16.743   2.1851  38.562  3.6427 39.842  11.625 -1.280396      12.18246 
1 1 1 29 25 12 o 61.298  3.3399 38.142   2.5397  57.547  3.3286 65.049  5.7913 -7.501160      6.679739 
1 1 1 29 25 14 o 31.381  5.5436 13.048   1.6879  37.757  2.7057 25.005  10.752 12.75195       11.08714 
1 1 1 29 25 16 o 18.139  5.3496 2.0148   1.7878  16.448  5.7081 19.830  9.0493 -3.381582      10.69918 
1 1 1 29 25 18 o 38.191  4.9764 17.526   1.9742  41.792  3.3612 34.590  9.3681 7.202736       9.952828 
1 1 1 29 25 20 o 59.098  4.0691 38.624   2.3434  61.027  2.6157 57.169  7.7064 3.857975       8.138247 
1 1 1 29 25 22 o 21.683  6.2184 5.5129   2.4019  18.522  6.8165 24.843  10.402 -6.320946      12.43688 
1 1 1 29 25 24 o 14.199  4.8669 -2.7746  2.3392  11.761  5.5199 16.638  8.0174 -4.877655      9.733794 
1 1 1 29 26 1  o 80.944  4.3157 71.169   4.8866  81.795  5.5424 80.092  6.6169 1.703415       8.631386 
1 1 1 29 26 3  o 65.569  5.1996 48.338   4.8205  65.963  7.2598 65.174  7.4457 0.7895355      10.39915 
1 1 1 29 26 5  o 29.051  5.1881 8.4050   0.9926  28.000  2.0523 30.102  10.171 -2.101706      10.37629 
1 1 1 29 26 7  o 14.539  4.9322 -2.0059  1.7562  11.540  5.0250 17.538  8.4887 -5.997526      9.864492 
1 1 1 29 26 9  o 46.998  3.9691 21.241   1.9865  41.042  3.2670 52.953  7.2347 -11.91128      7.938179 
1 1 1 29 26 11 o 50.633  4.2531 27.235   2.3503  49.880  3.3282 51.387  7.8280 -1.506809      8.506190 
1 1 1 29 26 13 o 20.332  6.0768 2.8326   1.5034  13.279  4.9801 27.386  11.086 -14.10708      12.15361 
1 1 1 29 26 15 o 16.679  5.5572 0.2323   1.7783  11.927  5.1052 21.431  9.8726 -9.504540      11.11450 
1 1 1 29 26 17 o 35.825  5.1268 13.919   1.8197  33.863  3.5825 37.786  9.6074 -3.923336      10.25358 
1 1 1 29 26 19 o 51.296  2.8577 27.917   2.0629  54.082  4.1322 48.510  3.9487 5.572269       5.715492 
1 1 1 29 26 21 o 27.433  5.3997 10.006   2.4246  19.841  7.9171 35.025  7.3447 -15.18436      10.79931 
1 1 1 29 26 23 o 21.259  5.5540 6.1661   2.2275  22.128  7.7241 20.391  7.9828 1.737379       11.10795 
1 1 1 29 27 0  o 90.731  6.3253 88.241   11.365  90.731  6.3253 ?       ?      0.000000       0.000000 
1 1 1 29 27 2  o 60.790  5.6443 43.848   4.7951  59.450  8.6995 62.129  7.1940 -2.678596      11.28869 
1 1 1 29 27 4  o 15.639  4.6711 0.8870   1.1044  13.860  4.2247 17.418  8.3325 -3.558134      9.342263 
1 1 1 29 27 6  o 22.824  6.4053 4.3919   1.7062  16.836  5.3811 28.812  11.626 -11.97561      12.81062 
1 1 1 29 27 8  o 23.058  5.7281 5.5342   2.1150  23.887  5.9063 22.229  9.8163 1.658001       11.45620 
1 1 1 29 27 10 o 39.618  4.9033 16.949   2.3263  35.856  4.8080 43.380  8.5470 -7.523914      9.806538 
1 1 1 29 27 12 o 50.940  6.0958 32.137   1.9046  56.333  2.0402 45.547  12.020 10.78600       12.19159 
1 1 1 29 27 14 o 46.472  2.7057 22.923   1.7507  49.146  3.3779 43.798  4.2277 5.347298       5.411452 
1 1 1 29 27 16 o 43.699  2.9986 20.432   1.8495  43.804  4.0814 43.593  4.3941 0.2106590      5.997132 
1 1 1 29 27 18 o 24.997  5.1160 8.1090   1.9155  25.956  7.1540 24.038  7.3154 1.918163       10.23203 
1 1 1 29 27 20 o 13.793  4.5624 -2.3844  2.2275  11.828  5.7290 15.758  7.1022 -3.929398      9.124855 
1 1 1 29 27 22 o 15.741  5.0237 0.4608   2.3349  13.546  6.3249 17.936  7.8069 -4.390536      10.04744 
1 1 1 29 28 1  f 25.008  7.5085 6.6827   4.6184  25.477  10.846 24.538  10.386 0.9391861      15.01705 
1 1 1 29 28 3  o 23.968  5.2954 5.9884   1.2229  24.957  2.8142 22.979  10.210 1.978823       10.59090 
1 1 1 29 28 5  f 23.821  6.4599 5.0021   1.6954  16.468  5.3889 31.173  11.742 -14.70505      12.91977 
1 1 1 29 28 7  o 21.301  5.8881 4.5033   2.0990  19.502  6.3177 23.099  9.9382 -3.597176      11.77629 
1 1 1 29 28 9  o 50.002  5.0011 29.229   2.5218  52.894  3.3800 47.110  9.4138 5.783981       10.00216 
1 1 1 29 28 11 o 59.335  2.2509 36.148   1.8398  61.421  3.5345 57.250  2.7882 4.170990       4.501897 
1 1 1 29 28 13 o 54.210  2.3958 30.910   1.8147  56.694  3.0408 51.726  3.7032 4.968311       4.791688 
1 1 1 29 28 15 o 25.013  4.4718 7.8266   1.6577  20.280  6.9955 29.746  5.5723 -9.465656      8.943620 
1 1 1 29 28 17 o 23.799  4.9448 7.3896   1.9070  19.473  7.4667 28.126  6.4847 -8.653141      9.889513 
1 1 1 29 28 19 o 15.864  4.9236 1.2579   2.1385  17.042  7.2548 14.687  6.6585 2.355030       9.847266 
1 1 1 29 29 0  o 4.0275  2.9186 -1.9155  1.1493  4.0275  2.9186 ?       ?      0.000000       0.000000 
1 1 1 29 29 2  o 28.445  5.3213 10.536   1.5066  33.659  2.6558 23.230  10.306 10.42876       10.64255 
1 1 1 29 29 4  o 40.137  5.1729 18.368   1.8501  41.021  2.9574 39.252  9.9141 1.768429       10.34580 
1 1 1 29 29 6  o 31.797  6.3839 12.119   2.3143  29.686  5.3580 33.907  11.589 -4.220455      12.76788 
1 1 1 29 29 8  o 40.700  2.2896 16.897   1.2459  42.614  3.7459 38.786  2.6339 3.827209       4.579222 
1 1 1 29 29 10 o 51.558  2.2402 27.801   1.6226  52.127  2.9398 50.989  3.3810 1.137333       4.480350 
1 1 1 29 29 12 o 41.513  2.7352 18.517   1.5963  44.128  3.6173 38.899  4.1037 5.229454       5.470387 
1 1 1 29 29 14 o 14.448  4.4683 0.6385   1.7414  14.228  6.4048 14.669  6.2322 -0.4415884     8.936572 
1 1 1 29 29 16 o 13.863  4.3498 0.1916   1.7240  12.869  5.8939 14.857  6.3987 -1.987670      8.699559 
1 1 1 29 30 1  o 15.469  3.6243 2.6051   0.9535  13.894  5.2936 17.044  4.9517 -3.150446      7.248581 
1 1 1 29 30 3  o 17.584  3.6190 3.4479   0.9194  19.717  5.5786 15.451  4.6117 4.265908       7.237999 
1 1 1 29 30 5  o 20.880  3.4478 5.2357   1.0517  15.981  5.9604 25.779  3.4675 -9.798269      6.895699 
1 1 1 29 30 7  o 28.307  2.9401 9.0029   1.0855  34.013  3.1913 22.601  4.9389 11.41205       5.880219 
1 1 1 29 30 9  o 45.579  2.3620 22.111   1.4944  48.257  2.9109 42.902  3.7207 5.354946       4.724092 
1 1 1 29 30 11 o 48.484  2.3563 25.394   1.5585  53.719  2.7338 43.248  3.8386 10.47070       4.712539 
1 1 1 29 30 13 o 24.488  4.3990 7.4971   1.5218  26.400  6.3554 22.576  6.0841 3.824036       8.798086 
1 1 1 29 31 0  o 18.677  6.4593 4.8526   2.1709  18.677  6.4593 ?       ?      0.000000       0.000000 
1 1 1 29 31 2  o 28.151  3.2358 8.9659   1.1829  26.464  5.4918 29.839  3.4237 -3.375561      6.471634 
1 1 1 29 31 4  o 23.348  3.7494 6.3313   1.1829  21.493  4.8658 25.202  5.7057 -3.709139      7.498714 
1 1 1 29 31 6  o 22.902  4.0441 6.3944   1.3019  23.416  5.3031 22.387  6.1069 1.029028       8.088116 
1 1 1 29 31 8  o 15.979  4.0152 2.4902   1.2770  19.765  5.9646 12.193  5.3767 7.572109       8.030302 
1 1 1 30 1  1  o 153.962 1.7601 237.134  3.8214  152.273 2.3901 155.652 2.5843 -3.379700      3.520142 
1 1 1 30 1  3  o 200.918 1.9777 404.429  5.6188  202.666 2.7725 199.171 2.8211 3.495712       3.955408 
1 1 1 30 1  5  o 179.283 1.8008 321.955  4.5651  180.139 2.5166 178.426 2.5765 1.713425       3.601646 
1 1 1 30 1  7  o 78.162  1.9105 60.600   2.0587  81.080  2.9925 75.243  2.3760 5.836739       3.821068 
1 1 1 30 1  9  o 56.366  2.4743 31.241   1.9279  61.148  3.7591 51.585  3.2182 9.563686       4.948506 
1 1 1 30 1  11 o 63.461  2.1772 39.836   1.8841  66.242  3.4700 60.680  2.6306 5.562092       4.354480 
1 1 1 30 1  13 o 84.711  1.9430 71.864   2.2348  85.012  3.1545 84.410  2.2693 0.6022034      3.885957 
1 1 1 30 1  15 o 107.286 1.7322 116.170  2.5383  104.753 2.8039 109.820 2.0349 -5.067345      3.464483 
1 1 1 30 1  17 o 97.617  1.9930 95.843   2.6502  96.908  3.2285 98.325  2.3378 -1.416283      3.986016 
1 1 1 30 1  19 o 67.922  2.2839 46.337   2.1240  67.970  3.6637 67.875  2.7280 0.9435272E-01  4.567777 
1 1 1 30 1  21 o 137.622 1.9357 190.210  3.7672  136.717 2.7555 138.527 2.7195 -1.809402      3.871432 
1 1 1 30 1  23 o 125.016 1.8239 156.992  3.2216  123.962 2.5239 126.070 2.6336 -2.108505      3.647748 
1 1 1 30 1  25 o 66.140  2.4252 44.015   2.2447  67.856  3.6698 64.424  3.1715 3.431847       4.850369 
1 1 1 30 1  27 o 45.694  3.6537 21.392   2.3469  49.002  5.2121 42.386  5.1217 6.615601       7.307364 
1 1 1 30 1  29 o 28.238  5.2220 8.9029   2.1347  24.744  7.5603 31.732  7.2054 -6.987703      10.44391 
1 1 1 30 1  31 o 20.772  5.0205 4.5585   1.7855  21.795  6.9928 19.750  7.2057 2.044603       10.04098 
1 1 1 30 1  33 o 26.209  5.2387 8.0252   2.0352  24.981  7.8258 27.436  6.9664 -2.455582      10.47731 
1 1 1 30 1  35 o 40.338  3.5244 17.434   2.0067  38.897  4.9246 41.780  5.0433 -2.882500      7.048830 
1 1 1 30 1  37 o 24.159  5.4263 7.2485   2.1385  21.131  7.6889 27.188  7.6590 -6.056271      10.85262 
1 1 1 30 1  39 o 28.602  5.3218 10.851   2.1913  30.360  6.8868 26.843  8.1152 3.516624       10.64353 
1 1 1 30 2  0  o 29.934  6.3008 10.088   3.3202  29.934  6.3008 ?       ?      0.000000       0.000000 
1 1 1 30 2  2  o 118.461 1.7927 140.516  2.9955  118.642 2.6371 118.280 2.4292 0.3626175      3.585420 
1 1 1 30 2  4  o 134.162 1.7682 180.372  3.3518  131.875 2.5661 136.448 2.4333 -4.572647      3.536384 
1 1 1 30 2  6  o 119.377 1.7074 143.008  2.8676  117.122 2.5623 121.631 2.2573 -4.508537      3.414750 
1 1 1 30 2  8  o 95.358  1.6958 91.610   2.2555  92.133  2.6335 98.582  2.1374 -6.449120      3.391695 
1 1 1 30 2  10 o 51.581  2.5208 25.749   1.7724  58.036  3.8506 45.126  3.2543 12.91025       5.041636 
1 1 1 30 2  12 o 85.244  1.8779 73.045   2.1892  84.427  3.0251 86.060  2.2258 -1.632782      3.755723 
1 1 1 30 2  14 o 25.542  4.7721 6.6660   1.6857  28.220  7.3823 22.864  6.0491 5.355377       9.544115 
1 1 1 30 2  16 o 57.440  2.6255 32.968   1.9332  58.131  4.5034 56.749  2.7003 1.382301       5.250944 
1 1 1 30 2  18 f 25.088  5.5471 5.9878   2.2702  30.553  8.1903 19.624  7.4834 10.92899       11.09423 
1 1 1 30 2  20 o 50.225  2.7480 25.381   1.9344  49.874  3.5847 50.576  4.1661 -0.7025032     5.496053 
1 1 1 30 2  22 o 48.417  3.1767 23.544   2.1240  46.606  3.9730 50.227  4.9578 -3.621235      6.353317 
1 1 1 30 2  24 f 33.557  3.5700 11.500   1.6914  34.141  4.8626 32.973  5.2284 1.167400       7.140069 
1 1 1 30 2  26 o 37.549  4.1162 15.029   1.9714  39.594  4.1929 35.505  7.0846 4.088539       8.232322 
1 1 1 30 2  28 o 15.467  4.5501 0.3320   1.7274  14.079  6.4041 16.856  6.4654 -2.776601      9.100198 
1 1 1 30 2  30 o 30.677  5.1432 10.694   2.1913  32.559  7.4189 28.795  7.1253 3.763844       10.28637 
1 1 1 30 2  32 o 18.743  4.8878 3.1159   1.7274  15.281  6.2687 22.205  7.5010 -6.924262      9.775549 
1 1 1 30 2  34 o 28.281  4.9632 9.4581   1.9711  27.847  7.4275 28.714  6.5854 -0.8671227     9.926467 
1 1 1 30 2  36 o 15.271  4.5796 -0.1110  1.9050  17.507  6.7253 13.035  6.2179 4.471722       9.159267 
1 1 1 30 2  38 o 27.102  5.4619 9.6220   2.1654  26.758  7.0568 27.447  8.3385 -0.6889915     10.92379 
1 1 1 30 2  40 o 15.405  4.9157 0.3405   2.2702  15.419  7.1079 15.391  6.7921 0.2783203E-01  9.831337 
1 1 1 30 3  1  o 104.223 1.6493 108.912  2.4246  102.197 2.4366 106.248 2.2235 -4.050308      3.298683 
1 1 1 30 3  3  o 194.410 1.8231 378.478  5.0104  193.184 2.5450 195.635 2.6110 -2.451401      3.646120 
1 1 1 30 3  5  o 152.563 1.8201 233.134  3.9265  150.640 2.5856 154.486 2.5625 -3.846222      3.640272 
1 1 1 30 3  7  o 92.885  1.8041 86.896   2.2776  91.280  2.9379 94.490  2.0948 -3.210083      3.608237 
1 1 1 30 3  9  f 34.475  3.5259 12.940   1.4898  29.380  6.2699 39.570  3.2273 -10.19002      7.051722 
1 1 1 30 3  11 o 33.762  3.6409 11.701   1.5224  33.323  6.3594 34.201  3.5471 -0.8778114     7.281770 
1 1 1 30 3  13 o 110.231 1.6455 121.930  2.5397  109.200 2.5143 111.261 2.1234 -2.060417      3.290913 
1 1 1 30 3  15 o 138.299 1.8060 191.335  3.4549  139.591 2.8359 137.008 2.2370 2.583099       3.612011 
1 1 1 30 3  17 o 83.323  2.0058 70.297   2.3091  86.532  2.4350 80.113  3.1880 6.419304       4.011567 
1 1 1 30 3  19 o 24.676  4.7796 6.3992   1.7027  24.818  6.1888 24.534  7.2854 0.2837925      9.559213 
1 1 1 30 3  21 o 110.427 1.7588 122.418  2.7441  110.755 2.4213 110.099 2.5517 0.6553497      3.517668 
1 1 1 30 3  23 o 27.854  5.1589 8.3399   2.0746  25.281  7.5278 30.428  7.0560 -5.147505      10.31772 
1 1 1 30 3  25 o 80.016  1.9503 64.539   2.1987  80.759  2.6091 79.273  2.8996 1.486099       3.900674 
1 1 1 30 3  27 o 61.498  2.6063 38.434   2.2662  61.691  3.7260 61.304  3.6454 0.3870049      5.212661 
1 1 1 30 3  29 o 55.816  2.3475 31.668   1.8429  55.029  3.1328 56.604  3.4969 -1.575047      4.694964 
1 1 1 30 3  31 o 21.391  5.5139 4.5861   2.1987  22.838  7.7392 19.945  7.8561 2.892820       11.02785 
1 1 1 30 3  33 o 33.221  4.4838 12.533   1.9702  36.135  4.7709 30.306  7.5932 5.828693       8.967606 
1 1 1 30 3  35 o 39.192  4.4822 17.756   2.3301  45.955  5.0019 32.428  7.4393 13.52622       8.964481 
1 1 1 30 3  37 o 43.162  3.6991 20.626   2.2329  40.376  5.6930 45.947  4.7248 -5.570683      7.398218 
1 1 1 30 3  39 o 29.253  5.3870 11.493   2.2986  25.370  8.0680 33.137  7.1406 -7.767546      10.77406 
1 1 1 30 4  0  o 251.915 2.9918 635.567  15.069  251.915 2.9918 ?       ?      0.000000       0.000000 
1 1 1 30 4  2  f 208.370 1.9731 435.074  5.8041  207.913 2.8868 208.827 2.6907 -0.9149170     3.946273 
1 1 1 30 4  4  o 246.847 2.0679 610.616  7.2061  247.112 3.0231 246.581 2.8225 0.5309296      4.135897 
1 1 1 30 4  6  o 90.961  1.7423 82.812   2.2183  91.370  2.6555 90.553  2.2564 0.8167953      3.484663 
1 1 1 30 4  8  o 168.444 1.7315 284.553  4.1161  165.537 2.5457 171.351 2.3476 -5.813629      3.462921 
1 1 1 30 4  10 o 137.262 1.6122 188.758  3.1274  136.978 2.3307 137.546 2.2282 -0.5681305     3.224449 
1 1 1 30 4  12 o 48.357  2.7176 22.932   1.6579  50.461  4.6818 46.254  2.7609 4.207493       5.435197 
1 1 1 30 4  14 o 24.902  4.5718 6.4076   1.5775  23.100  5.8066 26.705  7.0632 -3.605078      9.143584 
1 1 1 30 4  16 o 17.854  4.6194 2.5540   1.5324  18.540  6.1737 17.168  6.8732 1.372484       9.238843 
1 1 1 30 4  18 o 66.118  2.3017 43.956   2.1156  66.344  2.8872 65.891  3.5854 0.4528809      4.603393 
1 1 1 30 4  20 o 126.172 1.7736 160.332  3.0818  128.094 2.1434 124.249 2.8264 3.845032       3.547207 
1 1 1 30 4  22 o 82.299  1.9125 68.433   2.1802  84.166  2.3517 80.432  3.0166 3.734810       3.824996 
1 1 1 30 4  24 o 69.332  2.1815 48.456   2.1385  69.018  3.0529 69.646  3.1171 -0.6277618     4.363090 
1 1 1 30 4  26 o 15.153  4.7134 -0.6825  1.9218  13.902  6.1735 16.404  7.1242 -2.502076      9.426875 
1 1 1 30 4  28 o 17.026  5.2250 -2.0863  2.3882  22.404  8.7965 11.648  5.6415 10.75602       10.45009 
1 1 1 30 4  30 o 25.151  4.6516 7.0885   1.8192  19.054  7.1633 31.247  5.9361 -12.19219      9.303229 
1 1 1 30 4  32 o 21.832  5.4549 5.1313   2.0897  22.664  8.0519 20.999  7.3613 1.664810       10.90977 
1 1 1 30 4  34 o 35.233  3.8457 13.434   1.9070  34.616  5.1647 35.849  5.6994 -1.233463      7.691402 
1 1 1 30 4  36 o 18.398  4.8867 2.6147   1.9469  14.092  6.4086 22.705  7.3790 -8.612230      9.773422 
1 1 1 30 4  38 o 14.995  4.7482 -1.1639  2.2329  12.394  5.9995 17.597  7.3612 -5.203648      9.496418 
1 1 1 30 4  40 o 15.306  4.8689 0.2385   2.0789  18.632  7.9505 11.979  5.6228 6.653678       9.737856 
1 1 1 30 5  1  o 201.355 1.7833 406.213  5.0759  203.719 2.4760 198.990 2.5670 4.728958       3.566538 
1 1 1 30 5  3  o 216.506 1.9706 469.605  6.0323  214.434 2.7692 218.578 2.8043 -4.144257      3.941147 
1 1 1 30 5  5  o 202.832 1.8502 412.496  5.2927  200.929 2.7329 204.734 2.4950 -3.805099      3.700457 
1 1 1 30 5  7  o 160.559 1.8062 258.897  4.0774  157.264 2.7203 163.855 2.3770 -6.590897      3.612492 
1 1 1 30 5  9  o 149.760 1.7229 225.133  3.6350  146.743 2.5672 152.776 2.2986 -6.032501      3.445898 
1 1 1 30 5  11 o 120.981 1.6259 147.545  2.7084  123.910 1.9581 118.052 2.5962 5.858162       3.251812 
1 1 1 30 5  13 o 88.445  1.7275 78.494   2.1004  88.833  2.0844 88.057  2.7554 0.7761230      3.455005 
1 1 1 30 5  15 o 36.167  3.4270 12.988   1.7089  33.758  4.3502 38.576  5.2966 -4.817791      6.854092 
1 1 1 30 5  17 o 135.496 1.7958 184.129  3.3656  135.498 2.2148 135.495 2.8274 0.3387451E-02  3.591606 
1 1 1 30 5  19 o 108.501 1.7140 118.041  2.5930  108.443 2.1785 108.560 2.6467 -0.1170349     3.427991 
1 1 1 30 5  21 o 30.686  4.4657 9.4855   1.8841  23.531  6.5478 37.841  6.0744 -14.31037      8.931471 
1 1 1 30 5  23 o 23.259  5.0121 5.4038   1.7520  19.387  6.4610 27.131  7.6642 -7.743233      10.02421 
1 1 1 30 5  25 o 48.348  3.8733 24.165   2.3083  49.062  3.6440 47.635  6.8361 1.427319       7.746695 
1 1 1 30 5  27 o 62.646  2.3785 39.765   2.1051  60.634  3.3697 64.657  3.3576 -4.023067      4.756919 
1 1 1 30 5  29 o 19.939  5.6432 2.3891   2.5217  22.964  8.4544 16.915  7.4770 6.048777       11.28638 
1 1 1 30 5  31 o 23.836  5.0943 6.4911   1.8787  25.211  6.8950 22.460  7.5010 2.750837       10.18852 
1 1 1 30 5  33 o 39.994  4.1711 17.842   2.2626  43.127  5.0338 36.861  6.6524 6.265755       8.342259 
1 1 1 30 5  35 o 43.265  3.9702 20.865   2.3349  46.296  4.5513 40.235  6.5065 6.060989       7.940373 
1 1 1 30 5  37 o 21.558  5.7353 5.5029   2.3843  22.053  7.7216 21.064  8.4824 0.9895229      11.47054 
1 1 1 30 5  39 o 16.071  5.2182 -0.5348  2.6952  13.960  6.6199 18.182  8.0682 -4.222660      10.43637 
1 1 1 30 6  0  o 154.435 2.1923 238.801  6.7681  154.435 2.1923 ?       ?      0.000000       0.000000 
1 1 1 30 6  2  o 89.779  1.5339 80.703   1.9469  89.920  2.2013 89.639  2.1369 0.2806854      3.067898 
1 1 1 30 6  4  o 220.996 1.9743 489.368  6.1416  221.401 2.9416 220.590 2.6340 0.8110046      3.948554 
1 1 1 30 6  6  o 287.684 2.2608 830.330  9.1940  281.764 3.2405 293.604 3.1533 -11.83942      4.521554 
1 1 1 30 6  8  o 240.271 2.1148 579.510  7.0942  241.385 2.6981 239.157 3.2572 2.228210       4.229518 
1 1 1 30 6  10 o 153.883 1.6523 237.241  3.5346  153.832 2.0753 153.934 2.5717 -0.1013947     3.304648 
1 1 1 30 6  12 o 66.680  1.6963 44.614   1.5937  67.547  2.2686 65.812  2.5225 1.735420       3.392614 
1 1 1 30 6  14 o 102.890 1.6642 106.176  2.3429  103.112 1.9816 102.668 2.6742 0.4439163      3.328378 
1 1 1 30 6  16 f 95.854  1.7713 92.787   2.3193  98.156  2.0816 93.552  2.8666 4.603683       3.542628 
1 1 1 30 6  18 o 26.172  4.7900 7.1969   1.7673  24.817  6.3940 27.526  7.1339 -2.708817      9.579979 
1 1 1 30 6  20 o 128.282 1.7918 164.714  3.1533  126.964 2.1625 129.600 2.8575 -2.636627      3.583525 
1 1 1 30 6  22 o 80.031  2.1166 64.765   2.3193  81.377  2.5108 78.685  3.4082 2.692749       4.233181 
1 1 1 30 6  24 o 26.582  4.7477 7.6073   1.7787  25.286  6.5240 27.879  6.8994 -2.593060      9.495454 
1 1 1 30 6  26 o 14.733  4.5596 -0.6451  1.8164  14.932  6.2824 14.533  6.6099 0.3986187      9.119216 
1 1 1 30 6  28 o 34.231  4.4748 12.580   2.0761  34.054  5.4374 34.407  7.1084 -0.3524857     8.949526 
1 1 1 30 6  30 o 28.064  5.5656 9.1519   2.2915  26.982  7.6777 29.145  8.0597 -2.162411      11.13129 
1 1 1 30 6  32 o 16.787  5.0843 0.8958   2.0585  15.207  6.4692 18.366  7.8454 -3.159286      10.16861 
1 1 1 30 6  34 o 43.298  3.3497 20.019   2.0412  41.957  5.0220 44.640  4.4341 -2.682796      6.699330 
1 1 1 30 6  36 o 19.542  5.2052 3.9332   2.0354  17.870  7.5866 21.215  7.1288 -3.345095      10.41039 
1 1 1 30 6  38 o 18.859  5.2821 3.6249   2.2056  16.912  7.4763 20.806  7.4638 -3.893307      10.56429 
1 1 1 30 7  1  o 181.938 1.8736 331.631  4.8188  180.945 2.6113 182.930 2.6876 -1.985565      3.747262 
1 1 1 30 7  3  o 175.301 1.6996 307.569  4.2103  171.122 2.3880 179.480 2.4191 -8.358841      3.399233 
1 1 1 30 7  5  o 204.008 1.9567 414.951  5.4116  200.809 2.2894 207.207 3.1739 -6.398834      3.913432 
1 1 1 30 7  7  o 194.566 1.8588 379.608  5.0036  194.932 2.2929 194.199 2.9262 0.7329407      3.717520 
1 1 1 30 7  9  o 157.921 1.7441 250.932  3.8310  161.066 2.1803 154.777 2.7227 6.289078       3.488127 
1 1 1 30 7  11 o 28.447  3.1154 8.6305   1.1174  31.504  3.0401 25.389  5.4388 6.115953       6.230768 
1 1 1 30 7  13 o 41.955  2.2946 17.769   1.3135  42.666  2.6937 41.244  3.7155 1.422638       4.589239 
1 1 1 30 7  15 o 71.827  1.9224 52.049   1.8623  72.979  2.1873 70.676  3.1620 2.302711       3.844799 
1 1 1 30 7  17 o 47.531  2.8125 23.406   1.5881  49.705  2.4407 45.357  5.0679 4.348686       5.624959 
1 1 1 30 7  19 o 45.603  2.9155 20.861   1.7724  44.923  3.2691 46.284  4.8284 -1.361240      5.830976 
1 1 1 30 7  21 o 39.539  3.3853 15.915   1.8701  39.837  4.3275 39.240  5.2070 0.5971985      6.770519 
1 1 1 30 7  23 o 53.276  2.4145 28.598   1.8147  55.644  3.4425 50.908  3.3864 4.736122       4.828924 
1 1 1 30 7  25 o 40.442  3.4679 16.789   1.9711  40.433  4.5796 40.452  5.2088 -0.1909256E-01 6.935739 
1 1 1 30 7  27 o 22.665  5.2586 5.3367   1.9052  22.537  6.6395 22.793  8.1564 -0.2558880     10.51717 
1 1 1 30 7  29 o 21.367  5.2115 4.6611   1.9794  18.508  7.2901 24.226  7.4493 -5.718161      10.42293 
1 1 1 30 7  31 o 20.657  5.3456 4.3159   2.0253  19.064  7.1640 22.251  7.9359 -3.186804      10.69114 
1 1 1 30 7  33 o 34.367  4.6924 13.684   2.1913  37.911  5.3895 30.823  7.6830 7.088095       9.384828 
1 1 1 30 7  35 f 36.140  5.2612 16.002   2.5930  40.271  5.8664 32.008  8.7353 8.262520       10.52235 
1 1 1 30 7  37 o 18.764  5.5307 3.3135   2.3843  17.299  7.2453 20.229  8.3583 -2.930073      11.06147 
1 1 1 30 7  39 o 41.865  3.8782 20.336   2.2827  39.248  5.3686 44.481  5.5982 -5.233494      7.756411 
1 1 1 30 8  0  o 85.905  3.9573 74.450   6.7681  85.905  3.9573 ?       ?      0.000000       0.000000 
1 1 1 30 8  2  o 134.212 1.7494 180.422  3.3190  131.363 2.4789 137.061 2.4690 -5.698624      3.498734 
1 1 1 30 8  4  o 115.387 1.9640 132.886  3.0442  116.742 3.2269 114.032 2.2397 2.709396       3.928041 
1 1 1 30 8  6  o 116.075 1.5646 134.661  2.5141  114.999 1.9433 117.150 2.4526 -2.150475      3.129188 
1 1 1 30 8  8  o 30.084  2.6985 9.8783   0.9063  33.496  2.0969 26.672  4.9730 6.823540       5.396975 
1 1 1 30 8  10 o 115.857 1.6842 134.288  2.7084  114.977 2.1103 116.737 2.6254 -1.759857      3.368383 
1 1 1 30 8  12 o 114.917 1.6007 132.775  2.4758  115.988 1.8166 113.846 2.6360 2.141930       3.201339 
1 1 1 30 8  14 o 37.696  2.6065 14.801   1.2459  40.369  2.5307 35.024  4.5576 5.344982       5.213098 
1 1 1 30 8  16 o 90.627  1.7612 82.349   2.1892  90.593  2.1144 90.662  2.8171 -0.6865692E-01 3.522318 
1 1 1 30 8  18 o 48.986  2.4334 24.594   1.5775  51.319  2.6128 46.653  4.1059 4.666023       4.866731 
1 1 1 30 8  20 o 47.933  2.7805 23.719   1.7744  50.744  3.0199 45.122  4.6697 5.622520       5.561099 
1 1 1 30 8  22 o 58.094  2.3288 33.658   1.8815  54.921  3.0227 61.266  3.5434 -6.344593      4.657531 
1 1 1 30 8  24 o 35.869  3.9849 13.509   1.9218  36.716  4.6954 35.021  6.4398 1.694359       7.969804 
1 1 1 30 8  26 o 17.539  4.7141 1.8871   1.7216  21.006  7.1288 14.073  6.1702 6.933703       9.428259 
1 1 1 30 8  28 o 18.191  5.2296 2.1129   2.0587  16.890  6.8269 19.491  7.9238 -2.601099      10.45911 
1 1 1 30 8  30 o 15.250  4.7759 -0.7343  2.0113  12.808  5.9205 17.691  7.4956 -4.882502      9.551762 
1 1 1 30 8  32 o 33.346  3.7165 12.038   1.6770  27.806  5.7072 38.885  4.7619 -11.07905      7.432907 
1 1 1 30 8  34 o 74.473  2.3717 57.537   2.4836  75.553  3.1269 73.394  3.5669 2.159668       4.743437 
1 1 1 30 8  36 o 31.348  5.0037 12.238   2.2626  24.901  8.1948 37.795  5.7439 -12.89449      10.00737 
1 1 1 30 8  38 o 23.553  5.3285 7.4330   1.9986  21.812  7.2550 25.294  7.8062 -3.481665      10.65702 
1 1 1 30 9  1  o 78.109  4.3135 61.792   4.7395  78.007  5.7297 78.211  6.4495 -0.2040939     8.626994 
1 1 1 30 9  3  o 87.573  3.5126 77.466   4.3381  86.020  5.1960 89.127  4.7282 -3.107368      7.025249 
1 1 1 30 9  5  o 56.330  3.2077 31.204   2.3439  53.606  3.4542 59.055  5.4060 -5.449078      6.415371 
1 1 1 30 9  7  o 71.581  2.0390 51.293   1.8973  71.843  3.4661 71.319  2.1487 0.5235367      4.078082 
1 1 1 30 9  9  f 92.351  1.5248 84.826   1.9279  90.131  1.8419 94.571  2.4306 -4.439674      3.049634 
1 1 1 30 9  11 o 62.927  1.7701 39.954   1.4659  63.874  1.8993 61.979  2.9875 1.895004       3.540160 
1 1 1 30 9  13 o 95.609  2.5583 89.569   2.5844  92.899  1.9245 98.319  4.7408 -5.419617      5.116502 
1 1 1 30 9  15 o 121.013 1.6866 147.145  2.8605  122.828 2.1833 119.199 2.5712 3.629631       3.373106 
1 1 1 30 9  17 o 108.270 1.6107 117.438  2.4379  107.736 2.0743 108.803 2.4648 -1.066704      3.221443 
1 1 1 30 9  19 o 103.493 1.7637 108.163  2.5285  106.007 2.1684 100.980 2.7822 5.027428       3.527354 
1 1 1 30 9  21 o 30.821  3.7930 10.749   1.4835  38.135  3.5161 23.507  6.7219 14.62769       7.585979 
1 1 1 30 9  23 o 33.111  4.1604 11.724   1.8164  35.376  4.5123 30.847  6.9910 4.529041       8.320779 
1 1 1 30 9  25 o 23.754  5.0100 5.9290   1.9702  28.053  6.3000 19.455  7.7917 8.597919       10.01999 
1 1 1 30 9  27 o 59.962  2.0875 36.639   1.7414  61.110  2.6121 58.814  3.2569 2.296520       4.174985 
1 1 1 30 9  29 o 27.116  5.3401 8.5350   2.1271  28.141  7.0435 26.092  8.0285 2.049015       10.68025 
1 1 1 30 9  31 o 16.754  5.0964 0.0474   2.2056  20.137  8.0910 13.370  6.1991 6.766872       10.19281 
1 1 1 30 9  33 o 50.071  3.1521 25.898   2.1454  46.393  3.8536 53.749  4.9893 -7.355679      6.304245 
1 1 1 30 9  35 o 20.617  5.2098 4.8243   1.9865  22.460  7.1125 18.774  7.6145 3.685469       10.41961 
1 1 1 30 9  37 o 16.990  5.0982 2.0797   2.0523  16.694  6.5559 17.286  7.8094 -0.5916348     10.19645 
1 1 1 30 10 0  o 9.6958  7.1393 -17.7504 8.0452  9.6958  7.1393 ?       ?      0.000000       0.000000 
1 1 1 30 10 2  o 50.837  4.7045 26.191   3.3732  52.800  6.7721 48.875  6.5321 3.925072       9.408976 
1 1 1 30 10 4  o 55.799  5.2133 31.916   4.0854  52.635  7.8850 58.963  6.8222 -6.328640      10.42669 
1 1 1 30 10 6  o 75.805  2.7070 56.348   2.1995  73.695  2.0794 77.916  4.9988 -4.220810      5.414068 
1 1 1 30 10 8  o 48.747  4.5313 26.069   1.9778  52.571  2.5506 44.923  8.6962 7.647686       9.062514 
1 1 1 30 10 10 o 57.223  3.2307 31.855   2.0710  54.692  2.6852 59.755  5.8769 -5.063560      6.461308 
1 1 1 30 10 12 o 103.689 1.5542 108.305  2.1691  105.206 1.7600 102.172 2.5622 3.033546       3.108477 
1 1 1 30 10 14 o 187.003 1.8943 350.556  4.9140  186.373 2.3639 187.633 2.9606 -1.259415      3.788536 
1 1 1 30 10 16 o 129.538 1.6876 168.454  3.0169  130.030 2.0624 129.047 2.6718 0.9832306      3.375226 
1 1 1 30 10 18 o 132.712 1.7740 177.236  3.2186  133.592 2.1030 131.833 2.8575 1.758926       3.547976 
1 1 1 30 10 20 o 79.679  1.8777 63.618   2.0761  78.530  2.3579 80.829  2.9228 -2.299347      3.755325 
1 1 1 30 10 22 f 33.823  3.8455 11.515   1.7520  29.093  5.2389 38.554  5.6308 -9.461571      7.691055 
1 1 1 30 10 24 o 31.525  4.0548 10.760   1.7145  35.301  4.5219 27.750  6.7319 7.550459       8.109599 
1 1 1 30 10 26 o 42.040  4.3825 19.397   2.3843  45.972  4.5834 38.108  7.4711 7.864216       8.764971 
1 1 1 30 10 28 f 44.540  3.0239 20.685   1.8830  40.195  4.6067 48.885  3.9184 -8.689568      6.047791 
1 1 1 30 10 30 o 18.303  5.0747 1.7878   2.1071  14.453  6.5831 22.154  7.7250 -7.700927      10.14947 
1 1 1 30 10 32 o 18.704  5.1643 2.9858   2.0067  16.473  6.9042 20.935  7.6819 -4.461634      10.32857 
1 1 1 30 10 34 o 19.707  4.6670 3.8925   1.7216  14.475  6.2572 24.939  6.9262 -10.46453      9.334023 
1 1 1 30 10 36 o 23.885  5.3478 7.4705   2.1071  20.364  7.6441 27.407  7.4809 -7.043383      10.69560 
1 1 1 30 10 38 o 18.528  5.4800 3.6630   2.4246  16.996  7.4069 20.061  8.0783 -3.065060      10.96003 
1 1 1 30 11 1  o 55.554  5.0664 31.575   3.8518  54.772  8.1602 56.335  6.0071 -1.562191      10.13280 
1 1 1 30 11 3  o 46.808  6.0889 22.936   3.9058  46.085  9.4692 47.530  7.6572 -1.444969      12.17782 
1 1 1 30 11 5  o 40.522  6.0370 17.913   3.4014  32.606  10.116 48.438  6.5909 -15.83168      12.07401 
1 1 1 30 11 7  o 72.199  2.8079 52.541   2.1133  72.470  2.0265 71.928  5.2374 0.5415573      5.615793 
1 1 1 30 11 9  f 67.616  2.9403 46.784   2.2072  69.115  2.3096 66.116  5.4081 2.998352       5.880594 
1 1 1 30 11 11 o 28.093  5.3372 8.0539   1.8543  29.338  4.3527 26.848  9.7466 2.489979       10.67437 
1 1 1 30 11 13 f 53.928  4.3137 31.375   1.7316  57.017  1.9037 50.839  8.4147 6.177948       8.627407 
1 1 1 30 11 15 o 93.253  2.4801 87.814   2.2653  93.801  1.6337 92.705  4.6835 1.096397       4.960264 
1 1 1 30 11 17 o 74.789  2.6125 57.585   2.1337  76.866  1.9936 72.711  4.8297 4.154221       5.225031 
1 1 1 30 11 19 o 25.489  5.0485 6.3546   1.9459  30.744  4.1536 20.234  9.2032 10.51052       10.09710 
1 1 1 30 11 21 o 32.811  4.7321 12.227   1.6946  36.599  3.3147 29.024  8.8647 7.575123       9.464195 
1 1 1 30 11 23 o 22.202  5.7236 3.8499   2.1695  22.803  6.2547 21.601  9.5873 1.201868       11.44719 
1 1 1 30 11 25 o 36.452  4.2408 13.342   2.0691  31.936  5.1983 40.968  6.7018 -9.031837      8.481514 
1 1 1 30 11 27 o 16.944  5.2479 -0.3486  2.2227  12.780  5.9125 21.108  8.6721 -8.327870      10.49587 
1 1 1 30 11 29 o 23.536  6.0833 5.7602   2.3397  21.228  7.0004 25.844  9.9509 -4.615618      12.16659 
1 1 1 30 11 31 o 29.229  5.7219 10.624   2.4437  32.009  6.4101 26.448  9.4800 5.560566       11.44372 
1 1 1 30 11 33 o 28.205  5.8571 9.7780   2.3083  26.820  6.6826 29.590  9.6211 -2.769773      11.71419 
1 1 1 30 11 35 o 19.722  5.4267 3.9040   2.1892  15.815  6.7763 23.628  8.4781 -7.812998      10.85341 
1 1 1 30 11 37 o 27.694  5.5829 10.308   2.1851  25.024  6.9177 30.365  8.7646 -5.341135      11.16572 
1 1 1 30 12 0  o 71.742  5.3090 52.613   7.5344  71.742  5.3090 ?       ?      0.000000       0.000000 
1 1 1 30 12 2  o 96.361  3.8476 94.915   5.1435  101.154 4.7342 91.567  6.0666 9.586510       7.695148 
1 1 1 30 12 4  o 107.734 4.0011 116.541  5.9933  112.689 6.1194 102.779 5.1563 9.910004       8.002146 
1 1 1 30 12 6  o 91.922  3.2049 85.257   4.1149  92.119  4.9212 91.724  4.1071 0.3948975      6.409849 
1 1 1 30 12 8  o 83.762  2.8146 70.869   2.5327  84.249  2.1221 83.275  5.2139 0.9742966      5.629177 
1 1 1 30 12 10 o 33.711  5.7391 12.528   2.0344  37.025  3.6215 30.397  10.892 6.628723       11.47827 
1 1 1 30 12 12 o 95.218  2.2733 89.907   2.8053  92.717  2.4103 97.720  3.8551 -5.003708      4.546552 
1 1 1 30 12 14 o 91.598  2.5384 83.522   2.3434  90.676  1.7604 92.520  4.7619 -1.843597      5.076871 
1 1 1 30 12 16 o 48.163  5.3979 26.181   1.9197  52.173  2.3253 44.154  10.542 8.019245       10.79574 
1 1 1 30 12 18 o 59.772  3.0278 35.387   1.8637  58.502  2.1828 61.042  5.6484 -2.539845      6.055542 
1 1 1 30 12 20 o 56.346  4.0763 31.033   2.1448  54.020  2.6003 58.672  7.7267 -4.651321      8.152524 
1 1 1 30 12 22 o 22.737  5.5945 4.6805   1.8655  18.306  6.1737 27.168  9.3316 -8.862267      11.18903 
1 1 1 30 12 24 o 19.703  5.9241 1.7106   2.0907  14.575  5.9942 24.832  10.220 -10.25719      11.84823 
1 1 1 30 12 26 o 20.279  5.3738 2.9390   1.8869  13.613  5.8167 26.945  9.0374 -13.33247      10.74754 
1 1 1 30 12 28 o 70.245  2.6431 50.297   2.3609  68.985  2.6842 71.505  4.5541 -2.520340      5.286223 
1 1 1 30 12 30 o 31.944  5.5719 11.904   2.2275  31.024  5.5518 32.865  9.6625 -1.841455      11.14389 
1 1 1 30 12 32 o 21.150  6.1350 3.7538   2.6859  16.471  7.0837 25.829  10.019 -9.358612      12.26992 
1 1 1 30 12 34 o 17.750  5.5550 1.1078   2.4094  13.863  6.2659 21.636  9.1744 -7.773017      11.10995 
1 1 1 30 12 36 o 45.263  4.4947 25.095   2.5416  50.197  4.3248 40.329  7.8806 9.867584       8.989330 
1 1 1 30 13 1  o 87.726  4.0320 77.114   4.9226  93.332  6.0887 82.119  5.2872 11.21318       8.063925 
1 1 1 30 13 3  o 108.018 2.8300 117.802  4.3040  105.623 4.2316 110.412 3.7589 -4.788956      5.660001 
1 1 1 30 13 5  o 134.811 3.2408 183.124  6.1019  136.362 4.9634 133.260 4.1685 3.101669       6.481629 
1 1 1 30 13 7  o 110.398 3.3560 123.000  5.2163  109.225 4.5012 111.572 4.9789 -2.346550      6.711943 
1 1 1 30 13 9  o 186.636 2.3537 348.208  5.7102  184.700 2.4890 188.572 3.9955 -3.871964      4.707355 
1 1 1 30 13 11 o 118.502 2.2597 140.172  3.4876  116.889 2.4035 120.114 3.8274 -3.224968      4.519467 
1 1 1 30 13 13 o 56.319  4.6998 28.709   2.7694  48.780  3.7960 63.858  8.5990 -15.07837      9.399536 
1 1 1 30 13 15 o 63.166  2.9637 40.328   1.8729  63.329  2.0165 63.004  5.5739 0.3241692      5.927406 
1 1 1 30 13 17 o 72.777  3.3155 51.607   2.3143  70.076  2.1868 75.478  6.2600 -5.402679      6.630942 
1 1 1 30 13 19 o 71.467  2.7397 50.408   2.2802  69.008  2.4057 73.927  4.9231 -4.918518      5.479425 
1 1 1 30 13 21 o 52.012  4.6626 30.905   2.1516  57.513  2.5535 46.511  8.9688 11.00191       9.325202 
1 1 1 30 13 23 o 31.041  4.9304 11.437   1.9005  36.772  3.8200 25.309  9.0908 11.46297       9.860753 
1 1 1 30 13 25 o 26.914  5.8146 7.8217   2.0113  27.048  5.1428 26.779  10.430 0.2690926      11.62926 
1 1 1 30 13 27 o 36.357  5.4450 15.687   2.3263  39.884  4.3225 32.830  9.9955 7.053864       10.89009 
1 1 1 30 13 29 o 21.074  5.3849 4.6346   2.0157  17.874  6.8572 24.274  8.3048 -6.400087      10.76990 
1 1 1 30 13 31 o 21.558  5.8023 4.6423   2.4789  22.728  7.3789 20.388  8.9565 2.340210       11.60459 
1 1 1 30 13 33 o 19.624  5.6637 3.5245   2.4519  19.528  7.4728 19.719  8.5128 -0.1913452     11.32744 
1 1 1 30 13 35 o 22.912  6.0307 6.9862   2.5182  19.776  7.5826 26.048  9.3799 -6.272051      12.06140 
1 1 1 30 14 0  o 204.580 4.4365 421.030  18.134  204.580 4.4365 ?       ?      0.000000       0.000000 
1 1 1 30 14 2  o 267.163 3.5616 722.072  13.407  267.293 5.2792 267.032 4.7822 0.2611694      7.123173 
1 1 1 30 14 4  o 204.168 3.0064 419.216  8.5527  201.659 3.8312 206.677 4.6341 -5.018066      6.012699 
1 1 1 30 14 6  o 73.367  4.2222 54.612   4.3456  74.185  6.3691 72.550  5.5446 1.635063       8.444406 
1 1 1 30 14 8  o 47.776  6.0702 24.009   3.9781  41.555  9.2995 53.997  7.8044 -12.44188      12.14038 
1 1 1 30 14 10 o 64.412  3.0382 41.078   2.2192  62.908  2.5375 65.917  5.5213 -3.009090      6.076491 
1 1 1 30 14 12 o 137.035 2.3251 188.651  4.0883  136.511 2.3854 137.558 3.9919 -1.047165      4.650295 
1 1 1 30 14 14 o 83.757  2.7405 70.515   2.5728  83.426  2.2195 84.088  5.0115 -0.6626205     5.481054 
1 1 1 30 14 16 o 47.285  4.4776 26.074   1.7948  53.489  2.2681 41.081  8.6632 12.40725       8.955222 
1 1 1 30 14 18 o 63.861  3.0034 41.660   2.0710  64.555  2.2749 63.168  5.5595 1.386909       6.006895 
1 1 1 30 14 20 o 60.017  3.3405 39.975   2.1560  66.819  2.3889 53.214  6.2393 13.60490       6.681035 
1 1 1 30 14 22 o 42.110  4.8539 21.011   2.0364  48.431  3.0323 35.789  9.2221 12.64227       9.707787 
1 1 1 30 14 24 o 28.301  5.3603 8.7447   1.9988  25.586  6.0724 31.015  8.8351 -5.429062      10.72069 
1 1 1 30 14 26 o 17.261  5.3169 0.7596   2.1096  15.297  6.2708 19.225  8.5881 -3.928638      10.63385 
1 1 1 30 14 28 o 22.398  5.6577 5.2551   2.3439  24.272  7.1511 20.524  8.7693 3.748009       11.31546 
1 1 1 30 14 30 o 19.768  5.7764 3.0680   2.3396  16.475  6.7668 23.061  9.3636 -6.585907      11.55278 
1 1 1 30 14 32 f 23.597  5.4866 6.9165   2.1240  24.564  7.1237 22.630  8.3465 1.933752       10.97320 
1 1 1 30 14 34 o 16.468  5.0473 0.6750   2.1892  12.531  5.8927 20.406  8.1961 -7.874937      10.09457 
1 1 1 30 14 36 o 18.732  5.2287 4.2495   2.0354  18.852  7.0483 18.611  7.7253 0.2415047      10.45747 
1 1 1 30 15 1  o 119.900 2.9368 144.243  4.9402  116.153 3.9030 123.648 4.3893 -7.495094      5.873596 
1 1 1 30 15 3  o 144.538 2.8894 211.188  5.8493  141.570 4.4200 147.505 3.7227 -5.934692      5.778786 
1 1 1 30 15 5  o 83.267  3.4703 70.096   4.0824  80.614  4.9107 85.919  4.9047 -5.305367      6.940582 
1 1 1 30 15 7  o 118.429 3.1942 142.178  5.3267  115.019 4.7741 121.838 4.2449 -6.818649      6.388361 
1 1 1 30 15 9  o 112.941 2.6024 123.585  3.0742  108.140 1.9485 117.742 4.8264 -9.602509      5.204863 
1 1 1 30 15 11 o 131.717 2.4875 172.643  4.1208  128.702 2.4805 134.732 4.3125 -6.029922      4.975058 
1 1 1 30 15 13 o 72.813  3.0679 50.629   2.6462  66.744  2.8699 78.882  5.4233 -12.13767      6.135818 
1 1 1 30 15 15 o 68.484  2.9873 47.817   1.9865  69.179  1.9383 67.789  5.6514 1.390007       5.974579 
1 1 1 30 15 17 o 36.440  5.1872 14.015   1.8197  36.934  3.2847 35.946  9.8407 0.9880943      10.37445 
1 1 1 30 15 19 o 37.356  4.9709 15.771   1.8446  40.658  3.1408 34.055  9.4326 6.603600       9.941742 
1 1 1 30 15 21 o 56.226  3.4826 34.222   2.1096  60.264  2.5428 52.188  6.4844 8.075962       6.965205 
1 1 1 30 15 23 o 57.728  3.6906 37.341   2.1567  63.257  2.4225 52.199  6.9723 11.05779       7.381186 
1 1 1 30 15 25 f 34.550  4.9357 14.697   2.0140  41.020  3.7358 28.080  9.1373 12.93993       9.871476 
1 1 1 30 15 27 o 23.756  5.9118 5.7040   2.2135  17.632  6.7392 29.880  9.7149 -12.24747      11.82359 
1 1 1 30 15 29 o 23.925  5.9433 6.6582   2.3439  22.609  7.2464 25.241  9.4223 -2.632370      11.88656 
1 1 1 30 15 31 o 17.434  5.4133 1.2721   2.2544  14.408  6.3028 20.460  8.8029 -6.051575      10.82665 
1 1 1 30 15 33 o 20.505  6.0294 4.7505   2.7583  18.707  7.6763 22.303  9.2999 -3.596104      12.05875 
1 1 1 30 15 35 f 13.367  4.4700 -2.5115  2.1851  12.969  5.9657 13.766  6.6584 -0.7972441     8.939966 
1 1 1 30 16 0  o 35.149  9.8741 15.196   6.0019  35.149  9.8741 ?       ?      0.000000       0.000000 
1 1 1 30 16 2  f 78.831  3.9554 63.303   4.4048  77.636  5.7570 80.026  5.4255 -2.389977      7.910706 
1 1 1 30 16 4  o 122.790 3.2171 152.201  5.5561  125.924 4.7663 119.656 4.3223 6.268707       6.434280 
1 1 1 30 16 6  o 114.255 3.3244 132.440  5.3444  114.517 4.9623 113.993 4.4250 0.5242615      6.648715 
1 1 1 30 16 8  o 66.423  4.6582 45.240   4.3213  64.252  6.0619 68.595  7.0744 -4.343178      9.316303 
1 1 1 30 16 10 o 68.029  3.0870 47.377   2.2535  69.157  2.3082 66.901  5.7264 2.255531       6.174058 
1 1 1 30 16 12 o 93.698  2.9315 88.866   3.1455  93.914  2.4476 93.482  5.3276 0.4321899      5.862947 
1 1 1 30 16 14 o 61.675  3.2995 38.530   2.4545  61.323  3.0195 62.027  5.8676 -0.7030983     6.598957 
1 1 1 30 16 16 o 87.969  2.6888 77.844   2.3524  87.595  1.8223 88.342  5.0593 -0.7470932     5.377522 
1 1 1 30 16 18 o 95.055  2.3051 90.940   2.5818  94.508  2.0268 95.603  4.1408 -1.095108      4.610241 
1 1 1 30 16 20 o 27.184  5.7708 7.7350   2.0598  25.124  5.9329 29.245  9.9000 -4.120699      11.54167 
1 1 1 30 16 22 o 30.465  5.2607 11.299   2.1822  36.795  4.3383 24.136  9.5853 12.65927       10.52131 
1 1 1 30 16 24 o 17.000  4.9426 -0.1940  2.1560  18.991  6.7137 15.008  7.2557 3.982489       9.885291 
1 1 1 30 16 26 o 26.027  6.3548 7.1642   2.2957  20.579  6.7361 31.475  10.778 -10.89633      12.70965 
1 1 1 30 16 28 o 46.238  4.8036 24.317   2.6335  47.854  4.2697 44.623  8.6063 3.230751       9.607238 
1 1 1 30 16 30 o 17.455  5.2834 1.1897   2.3439  17.964  7.0590 16.946  7.8630 1.018682       10.56672 
1 1 1 30 16 32 o 20.012  5.4927 4.7105   2.2123  20.138  7.3307 19.886  8.1816 0.2521000      10.98532 
1 1 1 30 16 34 o 24.243  5.6253 8.3846   2.3994  28.033  7.5674 20.454  8.3253 7.578432       11.25063 
1 1 1 30 17 1  o 91.864  3.3639 85.176   4.1375  90.420  3.8132 93.308  5.5428 -2.887329      6.727826 
1 1 1 30 17 3  o 125.938 3.0496 160.794  5.4205  125.674 4.4710 126.201 4.1487 -0.5271530     6.099281 
1 1 1 30 17 5  o 118.576 3.3977 142.773  5.6368  117.572 4.3989 119.579 5.1794 -2.006363      6.795344 
1 1 1 30 17 7  o 73.133  4.4097 54.586   4.5276  78.747  6.3245 67.519  6.1468 11.22748       8.819455 
1 1 1 30 17 9  f 96.105  3.7655 94.415   5.0881  96.136  5.6454 96.073  4.9845 0.6351471E-01  7.531011 
1 1 1 30 17 11 o 106.599 2.6321 114.452  3.3343  106.166 2.3455 107.032 4.7128 -0.8657913     5.264191 
1 1 1 30 17 13 o 114.341 2.6513 130.295  3.5587  111.962 2.3382 116.720 4.7593 -4.757576      5.302599 
1 1 1 30 17 15 o 102.070 2.7291 110.488  3.3874  110.000 2.4379 94.139  4.8835 15.86106       5.458169 
1 1 1 30 17 17 o 109.326 2.2614 123.146  2.8946  112.512 1.9295 106.140 4.0907 6.371880       4.522874 
1 1 1 30 17 19 o 74.651  3.2145 61.585   2.4874  81.705  2.1881 67.598  6.0452 14.10643       6.429003 
1 1 1 30 17 21 o 49.643  4.0406 25.323   1.9865  48.889  2.7426 50.397  7.6016 -1.507999      8.081275 
1 1 1 30 17 23 o 33.953  5.0074 14.060   2.0288  39.579  3.8718 28.328  9.2361 11.25086       10.01479 
1 1 1 30 17 25 o 17.544  5.4104 -0.2521  2.1560  11.154  5.2946 23.933  9.4371 -12.77809      10.82087 
1 1 1 30 17 27 o 28.073  6.3110 9.7526   2.8756  31.411  6.7023 24.736  10.695 6.675200       12.62194 
1 1 1 30 17 29 o 26.326  4.7546 8.2292   2.3086  35.257  5.2519 17.394  7.9273 17.86293       9.509151 
1 1 1 30 17 31 o 19.939  5.7770 3.9061   2.2843  15.164  6.4605 24.715  9.5790 -9.550991      11.55400 
1 1 1 30 17 33 o 22.988  6.0148 7.4461   2.4437  20.435  7.4506 25.542  9.4445 -5.107353      12.02957 
1 1 1 30 18 0  o 72.691  7.8004 55.805   11.110  72.691  7.8004 ?       ?      0.000000       0.000000 
1 1 1 30 18 2  o 57.645  5.4229 35.990   4.1122  66.154  5.9841 49.135  9.0455 17.01944       10.84577 
1 1 1 30 18 4  o 83.713  4.5569 72.598   5.3634  88.938  6.0305 78.489  6.8334 10.44936       9.113872 
1 1 1 30 18 6  o 72.133  4.0133 54.042   3.9972  67.868  6.3974 76.397  4.8475 -8.528999      8.026528 
1 1 1 30 18 8  o 105.149 3.6206 111.837  5.3121  98.265  4.8083 112.033 5.4143 -13.76767      7.241176 
1 1 1 30 18 10 o 124.805 2.2536 156.706  3.6094  124.133 2.3147 125.477 3.8674 -1.343040      4.507123 
1 1 1 30 18 12 f 51.318  4.8471 28.024   2.4115  52.719  3.1490 49.917  9.1686 2.801689       9.694293 
1 1 1 30 18 14 o 69.967  2.6592 49.676   2.3944  69.888  2.7408 70.046  4.5577 -0.1587982     5.318369 
1 1 1 30 18 16 o 82.744  3.1512 69.281   2.4176  82.449  1.9361 83.038  5.9976 -0.5893097     6.302377 
1 1 1 30 18 18 o 90.333  2.4337 85.276   2.4507  93.682  1.9084 86.984  4.4777 6.698441       4.867425 
1 1 1 30 18 20 o 79.070  2.4371 63.723   2.2986  79.041  2.1811 79.098  4.3591 -0.5638123E-01 4.874278 
1 1 1 30 18 22 o 30.871  5.3596 11.815   2.1567  36.734  4.1716 25.007  9.8742 11.72721       10.71924 
1 1 1 30 18 24 o 41.761  4.8537 19.198   2.3837  40.729  4.3895 42.793  8.6583 -2.063389      9.707407 
1 1 1 30 18 26 o 43.240  5.0838 23.273   2.2072  50.027  3.1908 36.454  9.6540 13.57267       10.16767 
1 1 1 30 18 28 o 31.721  6.3718 13.323   2.8094  33.023  6.6141 30.420  10.893 2.602470       12.74364 
1 1 1 30 18 30 o 26.967  6.3318 10.092   2.5952  26.474  7.0912 27.461  10.492 -0.9864120     12.66358 
1 1 1 30 18 32 o 17.361  5.2052 2.5645   2.1727  17.339  6.8119 17.383  7.8723 -0.4380798E-01 10.41034 
1 1 1 30 19 1  o 62.830  5.4027 41.542   4.6795  62.566  8.5725 63.095  6.5778 -0.5296707     10.80535 
1 1 1 30 19 3  o 102.558 3.7378 106.524  5.3191  96.832  4.8136 108.284 5.7197 -11.45177      7.475655 
1 1 1 30 19 5  o 96.551  3.9241 94.328   5.2145  102.556 6.1014 90.546  4.9362 12.01022       7.848128 
1 1 1 30 19 7  o 52.514  6.2986 30.164   4.5633  50.809  9.5254 54.218  8.2436 -3.408642      12.59727 
1 1 1 30 19 9  o 66.590  4.1389 45.962   3.8907  69.673  5.7735 63.508  5.9318 6.164921       8.277722 
1 1 1 30 19 11 o 73.472  3.4917 50.326   2.5209  66.702  2.4888 80.242  6.5249 -13.54017      6.983449 
1 1 1 30 19 13 o 21.390  5.6489 3.8445   1.9962  20.034  6.2989 22.745  9.3790 -2.711641      11.29782 
1 1 1 30 19 15 o 60.145  4.5215 37.925   3.0238  60.241  3.6037 60.049  8.2938 0.1925507      9.042929 
1 1 1 30 19 17 o 38.342  4.3842 14.541   1.6990  35.186  3.2664 41.498  8.1372 -6.312115      8.768312 
1 1 1 30 19 19 f 18.961  4.9430 2.2986   1.8543  20.933  5.8668 16.989  7.9571 3.944317       9.886087 
1 1 1 30 19 21 f 24.490  6.0721 6.0173   2.3293  25.204  6.1303 23.777  10.483 1.426378       12.14423 
1 1 1 30 19 23 o 16.725  5.2079 0.6490   2.0992  14.149  6.1262 19.301  8.4238 -5.152643      10.41586 
1 1 1 30 19 25 o 17.424  5.0532 1.1930   2.1377  18.970  6.8324 15.878  7.4468 3.091721       10.10633 
1 1 1 30 19 27 o 21.655  5.6362 5.3209   2.1283  21.239  6.7202 22.072  9.0502 -0.8329582     11.27235 
1 1 1 30 19 29 o 24.116  6.1192 7.8754   2.5681  24.737  7.2687 23.496  9.8460 1.241161       12.23839 
1 1 1 30 19 31 o 18.905  5.7239 3.4809   2.5485  18.310  7.0879 19.500  8.9897 -1.190308      11.44785 
1 1 1 30 20 0  o 35.627  11.418 16.729   7.1512  35.627  11.418 ?       ?      0.000000       0.000000 
1 1 1 30 20 2  o 100.958 3.7754 105.375  5.2625  99.130  5.9902 102.786 4.5968 -3.656746      7.550748 
1 1 1 30 20 4  o 129.518 3.0095 170.260  5.4013  131.975 4.6929 127.060 3.7689 4.914925       6.018995 
1 1 1 30 20 6  o 96.944  3.8584 96.913   5.1978  98.044  5.9914 95.843  4.8633 2.201561       7.716745 
1 1 1 30 20 8  o 23.112  7.1589 0.1177   4.4632  23.260  10.372 22.963  9.8700 0.2971535      14.31777 
1 1 1 30 20 10 o 65.322  3.5436 40.042   2.1656  60.013  2.3407 70.632  6.6895 -10.61957      7.087191 
1 1 1 30 20 12 o 34.271  5.8649 13.162   2.2475  36.324  4.2187 32.219  10.945 4.105492       11.72979 
1 1 1 30 20 14 o 23.389  6.2469 5.0937   2.3503  19.891  6.8644 26.888  10.439 -6.997313      12.49371 
1 1 1 30 20 16 f 17.663  5.6711 -0.3924  2.3611  14.832  6.2635 20.494  9.4558 -5.661393      11.34212 
1 1 1 30 20 18 o 22.492  5.5580 5.1263   1.8243  20.102  5.9438 24.882  9.3935 -4.780540      11.11607 
1 1 1 30 20 20 o 29.719  5.2284 10.985   2.0368  35.980  3.9042 23.458  9.7007 12.52185       10.45688 
1 1 1 30 20 22 o 32.792  6.1868 12.246   2.3920  29.768  5.7832 35.817  10.939 -6.049194      12.37353 
1 1 1 30 20 24 o 49.242  3.4614 25.274   2.1537  47.015  3.5310 51.470  5.9546 -4.455284      6.922815 
1 1 1 30 20 26 f 25.711  5.7225 8.3090   2.2230  26.103  6.5975 25.318  9.3520 0.7858276      11.44497 
1 1 1 30 20 28 o 17.017  5.3017 1.4014   2.2902  14.030  6.3075 20.004  8.5234 -5.974393      10.60342 
1 1 1 30 20 30 o 15.637  5.1151 -0.5051  2.4507  14.792  6.4450 16.482  7.9446 -1.689663      10.23011 
1 1 1 30 21 1  o 122.799 3.2861 155.228  5.6712  119.689 4.9613 125.910 4.3105 -6.220238      6.572222 
1 1 1 30 21 3  f 91.911  3.7570 87.176   4.8593  89.400  5.0709 94.422  5.5451 -5.021255      7.514085 
1 1 1 30 21 5  o 50.810  6.7654 29.694   4.6876  61.850  7.8459 39.771  11.024 22.07911       13.53090 
1 1 1 30 21 7  o 27.785  7.8170 6.2591   4.6392  31.121  11.737 24.449  10.327 6.671370       15.63392 
1 1 1 30 21 9  o 58.701  5.4814 37.570   4.5010  58.771  7.0618 58.632  8.3853 0.1389122      10.96278 
1 1 1 30 21 11 o 55.828  4.2618 32.948   2.4115  56.607  2.9327 55.048  8.0033 1.558399       8.523690 
1 1 1 30 21 13 o 62.876  3.6307 40.521   2.6338  61.508  3.1143 64.244  6.5596 -2.735966      7.261326 
1 1 1 30 21 15 o 35.929  6.2692 14.463   2.5844  35.306  5.0638 36.551  11.470 -1.245422      12.53834 
1 1 1 30 21 17 o 27.675  5.9220 7.7761   1.7316  25.095  4.4874 30.255  10.961 -5.160021      11.84397 
1 1 1 30 21 19 o 28.803  5.2377 10.161   2.0067  33.685  4.1702 23.921  9.6096 9.763968       10.47544 
1 1 1 30 21 21 o 41.791  5.9732 21.791   2.3781  46.633  3.4230 36.949  11.445 9.684200       11.94635 
1 1 1 30 21 23 o 55.267  4.4799 36.840   2.4507  62.987  2.8384 47.547  8.4983 15.44064       8.959777 
1 1 1 30 21 25 o 25.964  5.2767 8.5317   2.2695  31.340  5.7125 20.588  8.8736 10.75243       10.55339 
1 1 1 30 21 27 o 21.835  5.4276 6.0159   2.2042  24.262  6.9881 19.408  8.3068 4.853924       10.85522 
1 1 1 30 21 29 o 21.600  5.6592 6.4725   2.2951  21.980  7.6125 21.221  8.3759 0.7596321      11.31840 
1 1 1 30 22 0  o 48.451  8.1155 26.051   7.2790  48.451  8.1155 ?       ?      0.000000       0.000000 
1 1 1 30 22 2  o 34.614  7.8720 14.486   4.3974  35.997  10.830 33.232  11.427 2.765007       15.74392 
1 1 1 30 22 4  o 37.267  7.4089 16.975   4.2439  43.096  9.8424 31.439  11.077 11.65687       14.81775 
1 1 1 30 22 6  o 34.749  7.7029 14.869   4.5298  41.277  10.615 28.222  11.165 13.05492       15.40575 
1 1 1 30 22 8  o 51.198  6.6073 30.992   4.6471  49.855  10.213 52.541  8.3852 -2.685989      13.21455 
1 1 1 30 22 10 o 39.937  5.2999 17.144   2.0113  39.822  3.3672 40.052  10.051 -0.2307549     10.59985 
1 1 1 30 22 12 o 21.929  5.4907 4.6577   1.9962  22.441  6.1004 21.417  9.1311 1.023991       10.98139 
1 1 1 30 22 14 o 35.963  5.9517 15.286   2.5105  38.170  4.6838 33.755  10.943 4.414639       11.90350 
1 1 1 30 22 16 o 25.125  5.7030 6.4071   1.6396  23.870  4.4456 26.381  10.504 -2.510262      11.40592 
1 1 1 30 22 18 o 20.516  5.1325 4.0368   1.8446  21.988  5.7448 19.043  8.5068 2.944946       10.26491 
1 1 1 30 22 20 o 36.418  5.8341 16.757   2.3819  40.977  4.0514 31.859  10.942 9.118031       11.66826 
1 1 1 30 22 22 f 59.094  3.9181 38.634   2.4360  61.469  2.8046 56.720  7.3171 4.748425       7.836194 
1 1 1 30 22 24 o 29.373  5.7736 10.687   2.1949  28.572  5.7889 30.173  9.9913 -1.601959      11.54715 
1 1 1 30 22 26 o 12.999  4.3819 -3.3476  2.1691  12.294  5.7851 13.704  6.5830 -1.410022      8.763755 
1 1 1 30 22 28 o 16.863  5.3720 0.9811   2.4621  12.941  6.0654 20.786  8.8681 -7.844853      10.74398 
1 1 1 30 23 1  o 28.698  8.3361 8.2495   5.3905  26.839  11.183 30.557  12.365 -3.718607      16.67221 
1 1 1 30 23 3  o 50.443  6.1111 29.627   4.2141  55.394  7.6075 45.491  9.5661 9.903381       12.22229 
1 1 1 30 23 5  o 47.358  6.7598 27.022   4.4355  43.010  10.596 51.706  8.3971 -8.696484      13.51958 
1 1 1 30 23 7  o 30.793  8.2317 11.078   4.7983  35.809  12.794 25.777  10.362 10.03157       16.46344 
1 1 1 30 23 9  o 26.273  5.5409 7.2301   1.6396  26.791  3.8133 25.755  10.405 1.036133       11.08183 
1 1 1 30 23 11 o 36.913  5.9145 15.757   2.1376  38.711  3.6287 35.114  11.259 3.597065       11.82904 
1 1 1 30 23 13 o 55.334  4.4571 31.266   2.6036  52.547  3.4023 58.121  8.2393 -5.574554      8.914151 
1 1 1 30 23 15 o 59.595  4.0524 36.748   2.7043  56.816  3.3714 62.375  7.3704 -5.558689      8.104861 
1 1 1 30 23 17 o 51.263  3.8433 25.493   1.8641  46.962  2.5833 55.564  7.2395 -8.601864      7.686617 
1 1 1 30 23 19 o 26.358  5.2339 8.3644   1.9597  30.203  4.4394 22.513  9.4798 7.690620       10.46780 
1 1 1 30 23 21 o 42.296  5.3544 21.671   2.3392  45.502  3.6485 39.091  10.068 6.410488       10.70870 
1 1 1 30 23 23 o 50.301  3.9611 26.669   2.3164  46.403  3.5776 54.199  7.0684 -7.796150      7.922194 
1 1 1 30 23 25 o 19.343  5.4477 4.0291   2.1693  19.553  6.7327 19.132  8.5662 0.4213161      10.89540 
1 1 1 30 23 27 o 14.886  4.9018 -1.1572  2.4720  14.663  6.6070 15.109  7.2428 -0.4458179     9.803650 
1 1 1 30 24 0  o 69.520  6.8250 52.102   9.3222  69.520  6.8250 ?       ?      0.000000       0.000000 
1 1 1 30 24 2  o 77.210  4.6199 63.671   4.8373  82.427  7.3590 71.993  5.5874 10.43373       9.239824 
1 1 1 30 24 4  o 56.410  5.8061 35.501   4.4643  49.958  7.4129 62.863  8.9382 -12.90578      11.61218 
1 1 1 30 24 6  o 35.257  7.9547 16.343   4.6051  28.158  10.687 42.357  11.786 -14.19971      15.90940 
1 1 1 30 24 8  o 31.170  7.4132 11.758   4.1257  38.362  11.049 23.978  9.8866 14.38454       14.82650 
1 1 1 30 24 10 o 32.852  5.9252 13.847   2.3709  39.574  3.8723 26.131  11.200 13.44279       11.85031 
1 1 1 30 24 12 o 32.725  5.3621 13.984   2.2802  40.244  4.1251 25.206  9.8990 15.03809       10.72411 
1 1 1 30 24 14 o 27.020  5.6552 8.9329   2.4802  31.424  6.5174 22.615  9.2438 8.809368       11.31040 
1 1 1 30 24 16 o 26.897  5.9228 8.1583   1.9025  26.430  4.7641 27.364  10.845 -0.9342041     11.84552 
1 1 1 30 24 18 o 20.677  5.8105 3.9758   2.0560  19.205  6.1675 22.150  9.8493 -2.944429      11.62102 
1 1 1 30 24 20 o 15.249  5.0222 -0.7743  2.0271  12.523  5.5653 17.975  8.3616 -5.451959      10.04440 
1 1 1 30 24 22 o 13.139  4.5117 -3.8452  2.1567  11.514  5.3831 14.764  7.2417 -3.250125      9.023316 
1 1 1 30 24 24 o 14.164  4.7177 -2.6279  2.3694  13.882  6.2206 14.445  7.0943 -0.5638227     9.435317 
1 1 1 30 25 1  o 65.917  5.0047 48.475   4.6576  66.464  6.8208 65.370  7.3257 1.094124       10.00944 
1 1 1 30 25 3  o 95.403  4.9985 101.888  6.6946  91.705  7.5892 99.101  6.5074 -7.395767      9.997087 
1 1 1 30 25 5  o 44.484  7.9262 25.978   4.6166  44.440  13.482 44.528  8.3386 -0.8784103E-01 15.85230 
1 1 1 30 25 7  o 40.416  7.3805 22.138   4.2282  37.180  11.965 43.651  8.6451 -6.471233      14.76105 
1 1 1 30 25 9  o 47.798  5.8921 22.547   2.0072  43.419  2.7940 52.176  11.448 -8.756901      11.78419 
1 1 1 30 25 11 o 39.260  4.7756 16.759   1.9308  38.815  3.4545 39.705  8.9046 -0.8898125     9.551219 
1 1 1 30 25 13 o 38.540  5.9667 18.413   2.4210  42.028  3.9500 35.052  11.261 6.976067       11.93343 
1 1 1 30 25 15 o 46.992  6.4065 29.672   3.0153  54.919  3.8367 39.064  12.225 15.85447       12.81304 
1 1 1 30 25 17 o 38.480  5.7754 17.970   1.9801  40.949  3.1185 36.011  11.122 4.937588       11.55084 
1 1 1 30 25 19 o 18.342  4.7250 2.2348   1.9510  21.842  6.1634 14.842  7.1635 7.000827       9.449995 
1 1 1 30 25 21 o 17.178  5.4491 1.5600   2.1695  14.859  6.1231 19.497  9.0154 -4.637174      10.89813 
1 1 1 30 25 23 f 22.181  5.5515 6.3668   2.3716  25.048  6.5528 19.314  8.9632 5.734125       11.10307 
1 1 1 30 26 0  o 15.519  10.785 -3.8310  11.110  15.519  10.785 ?       ?      0.000000       0.000000 
1 1 1 30 26 2  o 20.680  6.5636 -1.2492  4.2439  17.316  8.3567 24.044  10.124 -6.728504      13.12729 
1 1 1 30 26 4  o 23.138  7.0468 4.0328   4.1761  24.286  10.296 21.990  9.6234 2.296913       14.09352 
1 1 1 30 26 6  o 25.750  7.5908 7.1970   4.5919  25.794  10.459 25.706  11.005 0.8841133E-01  15.18158 
1 1 1 30 26 8  o 25.365  5.9289 6.8229   1.7654  24.419  4.6134 26.311  10.924 -1.891916      11.85785 
1 1 1 30 26 10 o 26.124  5.8497 8.1559   2.1786  26.478  5.9352 25.769  10.082 0.7087345      11.69934 
1 1 1 30 26 12 o 40.031  5.2862 19.149   2.3527  42.433  4.0628 37.630  9.7606 4.803040       10.57244 
1 1 1 30 26 14 o 36.786  6.1797 18.608   2.8528  43.329  4.7156 30.242  11.425 13.08704       12.35948 
1 1 1 30 26 16 o 28.413  5.7927 9.8330   1.8389  29.862  3.8487 26.964  10.927 2.897718       11.58539 
1 1 1 30 26 18 o 18.795  5.6855 3.2202   2.0648  15.423  6.1203 22.168  9.5835 -6.744639      11.37110 
1 1 1 30 26 20 o 16.404  5.3497 0.5595   2.2925  12.609  5.7785 20.200  9.0049 -7.591390      10.69947 
1 1 1 30 27 1  o 25.470  7.2891 6.8192   4.4248  21.860  9.9874 29.080  10.620 -7.219458      14.57813 
1 1 1 30 27 3  o 22.573  7.3197 0.9959   5.3272  22.420  10.518 22.727  10.183 -0.3072701     14.63946 
1 1 1 30 27 5  o 21.927  7.1746 0.0604   5.2675  22.218  10.241 21.637  10.051 0.5805759      14.34923 
1 1 1 30 27 7  o 37.854  5.7054 17.572   1.7367  41.343  2.6255 34.364  11.105 6.978390       11.41074 
1 1 1 30 27 9  o 65.146  3.5736 44.360   2.4782  63.689  2.7069 66.603  6.6148 -2.914467      7.147251 
1 1 1 30 27 11 o 58.500  4.0775 37.725   2.5327  59.770  2.9911 57.230  7.5867 2.540867       8.155048 
1 1 1 30 27 13 o 39.635  6.5009 22.674   2.5824  47.294  3.5102 31.976  12.519 15.31765       13.00178 
1 1 1 30 27 15 o 15.981  5.2293 0.6018   1.5219  9.6865  4.4191 22.276  9.4791 -12.58952      10.45860 
1 1 1 30 27 17 o 13.941  4.3638 -0.3496  1.7166  14.271  5.7692 13.610  6.5488 0.6610308      8.727570 
1 1 1 30 27 19 o 15.026  4.9546 -0.0189  1.9865  12.859  5.5919 17.194  8.1806 -4.334721      9.909158 
1 1 1 30 28 0  o 34.837  15.681 23.752   11.621  34.837  15.681 ?       ?      0.000000       0.000000 
1 1 1 30 28 2  o 41.886  8.2647 27.564   5.1350  37.597  11.868 46.175  11.506 -8.577934      16.52938 
1 1 1 30 28 4  o 33.668  8.3030 18.732   4.8827  34.970  11.667 32.366  11.817 2.604298       16.60596 
1 1 1 30 28 6  o 21.578  5.4903 4.6627   1.4669  19.716  4.6115 23.440  9.9653 -3.723850      10.98060 
1 1 1 30 28 8  o 23.284  6.1360 5.4592   2.0113  15.689  6.0402 30.879  10.683 -15.18984      12.27191 
1 1 1 30 28 10 o 28.673  5.3226 11.308   2.3503  35.599  4.6633 21.747  9.5695 13.85213       10.64530 
1 1 1 30 28 12 o 26.360  6.4322 9.5570   2.5485  23.924  7.1749 28.796  10.678 -4.871164      12.86441 
1 1 1 30 28 14 o 27.709  5.3114 9.5586   1.5272  29.322  3.2663 26.095  10.108 3.226927       10.62278 
1 1 1 30 28 16 o 15.421  4.8718 0.4454   1.8641  14.575  5.7175 16.266  7.8897 -1.690864      9.743612 
1 1 1 30 29 1  o 20.635  6.6363 1.3509   4.4613  23.378  10.074 17.893  8.6410 5.485132       13.27256 
1 1 1 30 29 3  o 21.747  7.0179 3.8310   4.8526  23.223  10.332 20.272  9.5007 2.951511       14.03577 
1 1 1 30 29 5  o 15.084  4.9059 -0.0373  1.5927  12.964  5.0813 17.203  8.3936 -4.238435      9.811821 
1 1 1 30 29 7  o 20.963  5.4096 4.7590   2.0560  22.543  5.8852 19.383  9.0784 3.160355       10.81915 
1 1 1 30 29 9  o 39.040  6.1593 18.852   2.3365  38.638  3.9661 39.441  11.663 -0.8032684     12.31860 
1 1 1 30 29 11 o 32.159  5.3465 15.404   2.4966  41.313  4.4820 23.004  9.7083 18.30878       10.69296 
1 1 1 30 29 13 o 22.108  5.6595 6.3799   1.9308  20.440  6.1007 23.776  9.5342 -3.336456      11.31893 
1 1 1 30 30 0  o 13.989  10.063 -7.2790  12.132  13.989  10.063 ?       ?      0.000000       0.000000 
1 1 1 30 30 2  f 20.375  6.8302 -0.4851  5.5846  18.644  9.2546 22.106  10.048 -3.461683      13.66042 
1 1 1 30 30 4  o 30.285  5.7780 10.299   1.5651  27.722  3.4548 32.847  11.027 -5.125088      11.55599 
1 1 1 30 30 6  o 19.002  5.6824 3.7378   1.9801  16.655  5.9931 21.348  9.6561 -4.692831      11.36476 
1 1 1 30 30 8  o 22.629  6.0892 7.0849   2.5528  23.267  6.9120 21.990  10.027 1.276972       12.17842 
1 1 1 31 1  0  o 199.205 2.7577 397.533  10.982  199.205 2.7577 ?       ?      0.000000       0.000000 
1 1 1 31 1  2  o 183.138 1.9361 336.272  5.0121  179.167 2.7797 187.110 2.6958 -7.943497      3.872259 
1 1 1 31 1  4  o 116.352 1.8245 135.700  2.9996  115.990 2.6423 116.714 2.5165 -0.7244644     3.648920 
1 1 1 31 1  6  o 82.816  2.0441 68.601   2.3837  84.881  3.0089 80.751  2.7675 4.130783       4.088104 
1 1 1 31 1  8  o 93.473  1.8907 87.662   2.4754  93.045  2.8822 93.902  2.4479 -0.8571091     3.781425 
1 1 1 31 1  10 o 70.636  2.1814 50.680   2.1156  67.265  3.5122 74.007  2.5883 -6.741417      4.362874 
1 1 1 31 1  12 o 80.511  2.0487 64.778   2.2117  81.369  3.3742 79.654  2.3246 1.714470       4.097484 
1 1 1 31 1  14 o 76.234  2.1028 58.337   2.1691  76.265  3.4326 76.204  2.4299 0.6154633E-01  4.205596 
1 1 1 31 1  16 o 124.780 1.9045 156.984  3.1764  123.095 3.1641 126.465 2.1205 -3.370453      3.808977 
1 1 1 31 1  18 o 136.677 1.8131 187.450  3.4304  136.668 2.8499 136.687 2.2422 -0.1974487E-01 3.626210 
1 1 1 31 1  20 o 116.945 1.9453 137.212  3.1299  117.838 3.0885 116.052 2.3658 1.786057       3.890517 
1 1 1 31 1  22 o 90.287  2.6039 82.979   2.9767  91.695  2.5764 88.879  4.5259 2.816139       5.207883 
1 1 1 31 1  24 o 22.496  5.0244 5.2038   1.7308  20.678  6.4283 24.314  7.7237 -3.635696      10.04882 
1 1 1 31 1  26 o 42.633  3.3638 18.711   2.0067  38.047  5.0346 47.218  4.4624 -9.171093      6.727517 
1 1 1 31 1  28 o 23.064  5.0081 5.8698   1.8495  20.293  7.3362 25.836  6.8193 -5.542572      10.01615 
1 1 1 31 1  30 o 37.220  4.1817 14.880   2.1913  35.118  5.8181 39.321  6.0081 -4.202820      8.363478 
1 1 1 31 1  32 o 21.227  5.3128 4.9195   2.0067  23.140  7.7392 19.314  7.2807 3.825056       10.62562 
1 1 1 31 1  34 o 49.650  3.5466 26.626   2.4902  49.457  5.0350 49.843  4.9961 -0.3858032     7.093102 
1 1 1 31 1  36 o 27.030  5.8222 9.5305   2.4196  28.145  8.4236 25.915  8.0396 2.230608       11.64437 
1 1 1 31 1  38 o 14.879  4.7699 -0.1916  2.1709  14.736  6.7041 15.021  6.7871 -0.2847252     9.539863 
1 1 1 31 2  1  o 100.123 1.6687 100.437  2.3625  99.199  2.3816 101.048 2.3380 -1.849380      3.337342 
1 1 1 31 2  3  o 152.934 1.8309 234.459  3.9587  150.763 2.6258 155.105 2.5523 -4.342041      3.661824 
1 1 1 31 2  5  o 138.911 1.7951 193.878  3.5013  136.182 2.7194 141.639 2.3441 -5.457642      3.590283 
1 1 1 31 2  7  o 84.082  1.8978 71.283   2.2183  81.671  2.9708 86.492  2.3623 -4.821014      3.795569 
1 1 1 31 2  9  o 58.215  2.3600 34.043   1.8623  58.121  3.8451 58.310  2.7376 -0.1889381     4.720028 
1 1 1 31 2  11 o 85.814  1.8464 73.547   2.2056  87.461  2.8472 84.167  2.3517 3.293831       3.692813 
1 1 1 31 2  13 o 35.004  4.1317 13.147   1.7108  32.299  7.4593 37.709  3.5558 -5.409142      8.263479 
1 1 1 31 2  15 o 54.735  2.8160 30.652   1.9332  53.065  4.9333 56.406  2.7168 -3.340923      5.631932 
1 1 1 31 2  17 o 111.213 1.6746 124.412  2.6039  109.039 2.5765 113.388 2.1398 -4.349113      3.349241 
1 1 1 31 2  19 o 93.613  2.0050 87.931   2.6309  92.495  2.6232 94.731  3.0331 -2.235443      4.010078 
1 1 1 31 2  21 o 164.372 1.8746 271.120  4.2958  162.984 2.3897 165.760 2.8890 -2.776260      3.749278 
1 1 1 31 2  23 o 77.129  2.3766 60.656   2.4312  79.016  2.5858 75.243  3.9884 3.772713       4.753288 
1 1 1 31 2  25 o 18.660  4.9603 2.8436   1.7855  20.000  7.2147 17.319  6.8094 2.680943       9.920630 
1 1 1 31 2  27 o 46.742  2.9430 22.297   1.9344  44.520  4.0157 48.964  4.3033 -4.443161      5.885962 
1 1 1 31 2  29 o 41.206  3.6977 18.002   2.1347  39.478  5.6608 42.934  4.7589 -3.456264      7.395368 
1 1 1 31 2  31 o 23.644  5.0821 6.3850   1.8429  23.660  6.8776 23.627  7.4840 0.3311729E-01  10.16423 
1 1 1 31 2  33 o 16.356  4.9479 0.8939   2.0432  15.607  6.8442 17.105  7.1474 -1.497334      9.895884 
1 1 1 31 2  35 o 25.336  5.3741 7.9058   2.0897  22.059  7.3790 28.614  7.8149 -6.555220      10.74817 
1 1 1 31 2  37 o 20.465  5.5319 5.1719   2.2348  21.020  7.8760 19.910  7.7702 1.110786       11.06381 
1 1 1 31 2  39 o 39.951  4.3019 19.159   2.3843  41.237  6.6580 38.666  5.4495 2.571922       8.603781 
1 1 1 31 3  0  o 106.162 2.5293 113.015  5.3634  106.162 2.5293 ?       ?      0.000000       0.000000 
1 1 1 31 3  2  o 79.811  1.8390 63.786   2.0707  80.682  2.6907 78.939  2.5075 1.743248       3.677942 
1 1 1 31 3  4  o 120.172 1.6910 144.634  2.8719  116.830 2.4047 123.514 2.3780 -6.684059      3.381909 
1 1 1 31 3  6  o 131.920 1.7845 174.602  3.3092  130.838 2.6841 133.002 2.3523 -2.164383      3.568995 
1 1 1 31 3  8  o 58.063  2.2195 33.431   1.7744  60.614  3.4762 55.512  2.7605 5.101349       4.438970 
1 1 1 31 3  10 o 151.024 1.7662 228.665  3.7574  150.900 2.6234 151.149 2.3656 -0.2493591     3.532498 
1 1 1 31 3  12 o 99.992  1.8802 99.948   2.5182  100.858 3.1020 99.126  2.1256 1.732582       3.760455 
1 1 1 31 3  14 o 76.860  2.1685 58.725   2.2321  78.868  3.5622 74.851  2.4738 4.016960       4.336905 
1 1 1 31 3  16 o 94.732  1.7752 90.288   2.3469  96.439  2.2511 93.025  2.7455 3.414063       3.550387 
1 1 1 31 3  18 o 128.806 1.7949 166.479  3.1331  128.785 2.0823 128.827 2.9242 -0.4263306E-01 3.589860 
1 1 1 31 3  20 o 89.942  1.7881 81.349   2.2555  90.504  2.3281 89.380  2.7146 1.124489       3.576221 
1 1 1 31 3  22 o 73.287  1.9116 53.828   1.9608  71.546  2.4988 75.029  2.8934 -3.482971      3.823105 
1 1 1 31 3  24 o 20.214  5.0862 3.5547   1.9218  22.508  6.9584 17.921  7.4201 4.586830       10.17236 
1 1 1 31 3  26 o 25.488  4.4876 7.1287   1.5975  24.002  7.1702 26.974  5.3982 -2.972622      8.975112 
1 1 1 31 3  28 o 17.867  5.2095 1.6754   2.1347  19.300  7.7005 16.433  7.0183 2.867235       10.41891 
1 1 1 31 3  30 o 58.238  2.5842 35.182   2.1071  63.008  3.3441 53.469  3.9407 9.538357       5.168407 
1 1 1 31 3  32 o 20.420  5.3057 4.2490   2.0897  18.388  7.6256 22.453  7.3790 -4.065088      10.61132 
1 1 1 31 3  34 o 16.608  4.8827 1.5963   1.9155  15.284  6.6651 17.932  7.1372 -2.648000      9.765417 
1 1 1 31 3  36 o 24.562  5.3542 7.6621   2.0432  24.155  7.5972 24.970  7.5466 -0.8154869     10.70834 
1 1 1 31 3  38 o 26.521  5.3248 9.5427   2.1051  28.217  7.2130 24.826  7.8351 3.390810       10.64970 
1 1 1 31 4  1  o 50.319  2.0611 25.226   1.4575  53.162  3.0027 47.477  2.8242 5.684292       4.122159 
1 1 1 31 4  3  o 113.577 1.6100 129.224  2.5855  113.911 2.2982 113.242 2.2554 0.6694946      3.219969 
1 1 1 31 4  5  o 249.000 2.2573 622.106  7.9462  246.570 3.1593 251.431 3.2251 -4.860992      4.514693 
1 1 1 31 4  7  o 154.431 1.8281 239.169  3.9904  152.464 2.6384 156.398 2.5312 -3.933960      3.656218 
1 1 1 31 4  9  o 43.656  2.7006 18.492   1.5398  46.953  4.4876 40.359  3.0060 6.594830       5.401300 
1 1 1 31 4  11 o 75.323  2.0599 57.150   2.1409  74.189  3.2705 76.456  2.5054 -2.267723      4.119806 
1 1 1 31 4  13 o 73.347  2.2221 54.145   2.2986  76.481  3.0055 70.213  3.2738 6.267784       4.444154 
1 1 1 31 4  15 o 63.280  2.2065 40.339   1.9050  63.926  2.5969 62.634  3.5680 1.292068       4.412991 
1 1 1 31 4  17 o 136.910 1.9259 188.438  3.6637  137.920 2.4074 135.901 3.0069 2.018723       3.851877 
1 1 1 31 4  19 o 64.608  2.1098 41.894   1.8815  63.971  2.5951 65.246  3.3273 -1.275105      4.219661 
1 1 1 31 4  21 o 58.717  2.4482 34.808   1.9702  58.848  2.9295 58.586  3.9235 0.2618446      4.896485 
1 1 1 31 4  23 o 31.214  4.9617 10.565   2.1347  30.095  6.9282 32.334  7.1044 -2.239300      9.923383 
1 1 1 31 4  25 o 43.174  3.1007 19.140   1.8787  44.335  4.0325 42.013  4.7113 2.321217       6.201398 
1 1 1 31 4  27 o 61.640  2.1975 38.602   1.9134  62.279  3.1782 61.001  3.0355 1.278481       4.394907 
1 1 1 31 4  29 o 29.270  5.2083 9.7646   2.2555  22.471  7.7355 36.068  6.9760 -13.59664      10.41650 
1 1 1 31 4  31 o 30.850  4.6351 10.416   1.9052  26.279  6.1726 35.421  6.9164 -9.142502      9.270244 
1 1 1 31 4  33 o 43.213  3.9241 20.379   2.3940  44.225  5.3419 42.200  5.7495 2.024818       7.848150 
1 1 1 31 4  35 o 24.766  5.6091 7.5536   2.3196  20.021  7.6908 29.511  8.1669 -9.490019      11.21813 
1 1 1 31 4  37 o 26.530  5.7716 9.8265   2.4732  29.602  7.3567 23.459  8.8952 6.142447       11.54320 
1 1 1 31 5  0  o 74.181  2.5891 55.294   3.8310  74.181  2.5891 ?       ?      0.000000       0.000000 
1 1 1 31 5  2  o 87.795  1.6988 76.711   2.0761  90.646  2.6063 84.945  2.1798 5.701485       3.397688 
1 1 1 31 5  4  o 134.712 1.7974 181.690  3.3918  135.657 2.7299 133.767 2.3389 1.890305       3.594839 
1 1 1 31 5  6  o 145.259 1.6957 211.219  3.4655  146.602 2.5261 143.916 2.2627 2.685410       3.391312 
1 1 1 31 5  8  o 88.469  1.7320 77.989   2.0585  89.838  2.8429 87.101  1.9793 2.736397       3.464065 
1 1 1 31 5  10 o 182.940 1.8641 335.617  4.8154  183.288 2.7172 182.591 2.5527 0.6970978      3.728240 
1 1 1 31 5  12 o 104.649 1.8854 110.025  2.7595  105.501 2.4208 103.798 2.8912 1.703033       3.770856 
1 1 1 31 5  14 o 23.791  4.7329 5.9234   1.6503  23.372  6.3797 24.210  6.9929 -0.8380508     9.465814 
1 1 1 31 5  16 o 84.811  1.7729 72.275   2.0761  85.444  2.1671 84.178  2.8065 1.265892       3.545817 
1 1 1 31 5  18 o 20.007  4.9766 3.5478   1.7089  17.275  6.4020 22.738  7.6210 -5.463211      9.953183 
1 1 1 31 5  20 o 89.107  1.7048 79.859   2.1271  89.959  2.2003 88.254  2.6045 1.704971       3.409523 
1 1 1 31 5  22 o 72.431  2.1700 53.107   2.1802  73.684  2.6863 71.178  3.4088 2.506119       4.340075 
1 1 1 31 5  24 o 16.607  4.6137 1.7277   1.5975  17.128  6.2735 16.085  6.7668 1.043882       9.227487 
1 1 1 31 5  26 f 24.618  4.9491 6.6584   1.8192  26.364  6.7517 22.872  7.2379 3.491676       9.898155 
1 1 1 31 5  28 o 29.154  4.3897 9.4452   1.7553  28.765  6.1713 29.542  6.2444 -0.7773170     8.779411 
1 1 1 31 5  30 f 28.089  4.3757 8.8644   1.6866  27.901  5.9026 28.277  6.4611 -0.3757133     8.751421 
1 1 1 31 5  32 o 19.707  5.0813 3.9825   1.8830  21.632  7.2550 17.781  7.1163 3.850550       10.16253 
1 1 1 31 5  34 o 18.993  5.1695 3.4722   2.0108  17.135  7.1529 20.851  7.4654 -3.715708      10.33909 
1 1 1 31 5  36 o 17.665  4.7062 1.2372   1.9344  24.189  7.7278 11.141  5.3734 13.04737       9.412310 
1 1 1 31 5  38 o 16.384  4.8925 1.9395   2.0113  15.208  6.9134 17.559  6.9246 -2.350632      9.784960 
1 1 1 31 6  1  f 40.457  1.8436 16.419   1.0526  40.059  2.7096 40.854  2.5006 -0.7951927     3.687174 
1 1 1 31 6  3  o 60.606  1.6384 36.734   1.4018  62.550  2.3478 58.663  2.2857 3.887150       3.276706 
1 1 1 31 6  5  o 41.574  2.1284 17.138   1.2050  43.085  3.4085 40.064  2.5500 3.021194       4.256801 
1 1 1 31 6  7  o 53.520  1.9654 28.666   1.4241  53.851  3.2014 53.190  2.2808 0.6606636      3.930764 
1 1 1 31 6  9  o 86.512  1.6760 74.958   2.0253  86.125  2.1500 86.899  2.5717 -0.7732849     3.352005 
1 1 1 31 6  11 o 88.596  1.7437 78.902   2.1540  89.735  2.2058 87.457  2.7013 2.278008       3.487468 
1 1 1 31 6  13 o 145.424 1.7571 212.670  3.5198  147.012 2.1282 143.836 2.7966 3.175644       3.514298 
1 1 1 31 6  15 o 43.384  2.6431 19.392   1.5324  46.365  2.8920 40.402  4.4250 5.962708       5.286248 
1 1 1 31 6  17 o 34.412  3.3048 12.045   1.5860  35.190  4.1732 33.634  5.1257 1.556389       6.609689 
1 1 1 31 6  19 o 53.659  2.6733 29.237   1.9986  55.131  3.3587 52.186  4.1599 2.944519       5.346552 
1 1 1 31 6  21 o 91.945  1.6706 84.985   2.1709  93.854  2.3131 90.035  2.4112 3.819443       3.341278 
1 1 1 31 6  23 o 63.301  2.2842 40.359   2.0253  61.804  2.9960 64.798  3.4488 -2.994122      4.568411 
1 1 1 31 6  25 o 48.731  3.9092 25.693   2.1424  52.208  3.0575 45.254  7.1958 6.954620       7.818434 
1 1 1 31 6  27 o 46.151  3.0815 22.084   2.0108  46.677  4.3774 45.624  4.3384 1.052452       6.163015 
1 1 1 31 6  29 o 19.637  4.9783 3.7840   1.8147  21.686  6.9963 17.589  7.0842 4.096661       9.956603 
1 1 1 31 6  31 o 17.912  4.6807 2.2941   1.7855  22.085  6.9834 13.739  6.2345 8.346311       9.361435 
1 1 1 31 6  33 o 15.518  4.9052 -0.4830  2.1987  16.486  7.2442 14.551  6.6157 1.935218       9.810479 
1 1 1 31 6  35 o 17.467  5.1965 2.1165   2.0789  15.896  6.5989 19.037  8.0293 -3.141208      10.39301 
1 1 1 31 6  37 o 25.247  5.6600 8.6423   2.2123  23.065  7.3681 27.429  8.5939 -4.363924      11.32007 
1 1 1 31 7  0  o 72.793  1.8447 53.124   2.6817  72.793  1.8447 ?       ?      0.000000       0.000000 
1 1 1 31 7  2  o 53.195  1.4852 28.328   1.1165  52.478  2.0684 53.913  2.1318 -1.435303      2.970338 
1 1 1 31 7  4  o 42.760  1.9484 17.750   1.0216  40.560  1.8891 44.960  3.4084 -4.400345      3.896895 
1 1 1 31 7  6  o 73.022  1.6717 53.377   1.6192  72.836  1.8409 73.208  2.7910 -0.3718109     3.343423 
1 1 1 31 7  8  o 93.759  1.6381 88.281   2.0813  94.338  1.8951 93.179  2.6725 1.158966       3.276191 
1 1 1 31 7  10 o 88.459  1.4668 78.471   1.7923  88.769  1.7982 88.149  2.3179 0.6204834      2.933649 
1 1 1 31 7  12 o 123.892 1.7757 154.124  2.9797  124.388 2.0533 123.395 2.8977 0.9938812      3.551427 
1 1 1 31 7  14 o 139.889 1.7890 196.633  3.3741  140.690 2.0423 139.089 2.9380 1.600769       3.578087 
1 1 1 31 7  16 o 43.784  2.6081 19.464   1.5860  45.487  3.2285 42.080  4.0969 3.407753       5.216109 
1 1 1 31 7  18 o 55.678  2.3578 31.023   1.8164  54.021  2.9549 57.336  3.6750 -3.314655      4.715583 
1 1 1 31 7  20 o 52.461  2.6528 27.820   1.9050  52.427  3.1665 52.495  4.2571 -0.6880951E-01 5.305620 
1 1 1 31 7  22 o 32.082  4.3619 11.181   1.8398  35.191  4.5360 28.973  7.4519 6.217274       8.723876 
1 1 1 31 7  24 o 17.893  4.9229 2.2493   1.8057  18.577  6.8184 17.208  7.1026 1.369518       9.845716 
1 1 1 31 7  26 o 21.018  5.1937 4.3540   1.9500  22.583  6.7979 19.453  7.8540 3.129677       10.38736 
1 1 1 31 7  28 o 39.047  3.8754 16.205   2.1385  40.155  5.4064 37.939  5.5539 2.216007       7.750758 
1 1 1 31 7  30 o 19.243  5.4255 2.8185   2.2056  21.612  8.2557 16.873  7.0417 4.739315       10.85093 
1 1 1 31 7  32 o 40.346  4.4451 18.243   2.4479  35.146  6.7823 45.546  5.7478 -10.40014      8.890221 
1 1 1 31 7  34 o 44.918  3.6190 22.092   2.2986  45.345  5.0692 44.492  5.1664 0.8528824      7.237940 
1 1 1 31 7  36 o 44.736  3.1896 21.987   2.0108  46.375  4.2682 43.098  4.7408 3.276482       6.379113 
1 1 1 31 7  38 o 15.544  4.8373 1.0023   2.1051  16.650  7.0613 14.439  6.6134 2.210331       9.674663 
1 1 1 31 8  1  o 31.923  1.7142 10.174   0.7449  32.311  2.7666 31.535  2.0247 0.7759209      3.428336 
1 1 1 31 8  3  o 95.306  1.8510 91.205   2.4885  93.457  2.7328 97.155  2.4974 -3.698120      3.702064 
1 1 1 31 8  5  o 73.751  2.2673 54.987   2.2951  71.895  3.6413 75.607  2.7024 -3.711975      4.534524 
1 1 1 31 8  7  o 67.792  1.7142 46.807   1.5554  70.786  1.8942 64.799  2.8576 5.987297       3.428394 
1 1 1 31 8  9  o 117.696 1.5668 138.209  2.5193  115.975 1.8719 119.416 2.5130 -3.440437      3.133580 
1 1 1 31 8  11 o 39.643  2.6168 16.096   1.3322  41.145  2.6381 38.141  4.5200 3.004326       5.233512 
1 1 1 31 8  13 o 99.873  1.7410 100.763  2.3994  102.970 2.1083 96.775  2.7711 6.195015       3.481926 
1 1 1 31 8  15 o 126.388 1.8068 160.114  3.1108  125.930 2.1295 126.846 2.9195 -0.9160919     3.613669 
1 1 1 31 8  17 o 51.446  2.5026 27.063   1.7787  54.830  3.0278 48.063  3.9855 6.767090       5.005111 
1 1 1 31 8  19 o 17.629  4.5846 2.4863   1.5116  18.306  6.0250 16.952  6.9118 1.354387       9.169134 
1 1 1 31 8  21 o 22.895  5.0100 5.4797   1.7673  21.539  6.7032 24.252  7.4477 -2.712929      10.01999 
1 1 1 31 8  23 o 46.426  2.6979 22.062   1.7507  44.457  4.1651 48.395  3.4303 -3.938030      5.395821 
1 1 1 31 8  25 o 67.335  2.5042 46.435   2.3469  69.333  3.1312 65.337  3.9090 3.995895       5.008430 
1 1 1 31 8  27 o 22.568  5.0655 5.3124   1.8964  17.672  6.8395 27.464  7.4740 -9.792044      10.13106 
1 1 1 31 8  29 o 13.174  4.2711 -1.9894  1.8147  13.566  6.0931 12.783  5.9869 0.7833452      8.542144 
1 1 1 31 8  31 o 17.121  5.0526 1.2522   2.1271  18.869  7.3233 15.373  6.9631 3.495941       10.10523 
1 1 1 31 8  33 o 28.578  5.3202 10.152   2.3625  35.509  6.8993 21.648  8.1005 13.86156       10.64042 
1 1 1 31 8  35 o 13.008  4.3527 -3.2108  2.0523  12.582  5.7307 13.434  6.5529 -0.8513632     8.705305 
1 1 1 31 8  37 f 19.944  5.6751 4.9803   2.4312  19.755  7.5803 20.133  8.4478 -0.3781013     11.35020 
1 1 1 31 9  0  o 153.020 4.0957 235.480  12.515  153.020 4.0957 ?       ?      0.000000       0.000000 
1 1 1 31 9  2  o 110.765 3.2088 122.948  4.9226  107.782 4.0284 113.748 4.9958 -5.966553      6.417643 
1 1 1 31 9  4  o 89.828  2.4167 78.664   2.3057  86.809  1.8388 92.846  4.4701 -6.036674      4.833497 
1 1 1 31 9  6  o 74.933  2.1050 56.370   2.1469  74.928  3.4086 74.938  2.4709 -0.1020813E-01 4.210001 
1 1 1 31 9  8  o 86.436  2.0883 75.193   2.4732  85.686  3.3532 87.187  2.4900 -1.500237      4.176619 
1 1 1 31 9  10 o 75.218  1.6511 56.479   1.7414  73.155  2.1820 77.280  2.4787 -4.125046      3.302274 
1 1 1 31 9  12 o 58.722  1.9250 34.771   1.5116  59.519  2.1456 57.925  3.1967 1.593712       3.849941 
1 1 1 31 9  14 o 31.075  3.2048 9.7517   1.3931  30.799  4.1462 31.351  4.8880 -0.5515194     6.409644 
1 1 1 31 9  16 o 68.118  1.8422 47.420   1.6861  71.539  2.0528 64.696  3.0595 6.843185       3.684352 
1 1 1 31 9  18 o 42.199  2.8508 18.350   1.6503  45.566  3.3631 38.831  4.6041 6.734745       5.701527 
1 1 1 31 9  20 o 21.171  4.5876 4.0275   1.6208  14.688  6.0096 27.655  6.9333 -12.96709      9.175273 
1 1 1 31 9  22 o 33.631  3.4259 11.606   1.6226  33.305  4.6012 33.956  5.0770 -0.6515160     6.851762 
1 1 1 31 9  24 o 53.511  2.7395 29.067   2.0629  50.672  3.7802 56.349  3.9659 -5.677399      5.478905 
1 1 1 31 9  26 o 37.489  3.8242 14.813   1.9702  37.200  4.6343 37.778  6.0846 -0.5781097     7.648468 
1 1 1 31 9  28 o 39.050  4.0402 16.802   2.0761  41.776  4.4323 36.324  6.7563 5.452221       8.080373 
1 1 1 31 9  30 o 17.347  4.9902 2.1645   1.8964  16.038  6.6246 18.657  7.4649 -2.619162      9.980473 
1 1 1 31 9  32 o 18.166  5.0292 2.5729   1.9218  14.529  6.3296 21.803  7.8171 -7.274610      10.05838 
1 1 1 31 9  34 o 26.348  5.3154 8.6913   2.1347  22.316  7.6210 30.379  7.4117 -8.062695      10.63081 
1 1 1 31 9  36 o 13.449  4.4374 -1.8664  2.0707  13.965  6.4814 12.933  6.0625 1.031463       8.874797 
1 1 1 31 10 1  o 99.808  3.0502 99.788   4.2699  104.427 4.5246 95.188  4.0918 9.239120       6.100385 
1 1 1 31 10 3  o 22.932  6.8717 -1.2895  4.1767  20.067  9.4107 25.797  10.016 -5.730108      13.74343 
1 1 1 31 10 5  f 22.930  5.4127 2.5695   0.7991  11.762  3.5245 34.097  10.236 -22.33485      10.82539 
1 1 1 31 10 7  o 88.001  2.6301 75.589   2.6583  84.539  2.2658 91.463  4.7471 -6.924294      5.260108 
1 1 1 31 10 9  o 51.075  3.9704 24.747   2.0823  47.582  2.9522 54.569  7.3716 -6.986946      7.940783 
1 1 1 31 10 11 o 94.818  2.5351 88.341   2.6294  92.272  2.0067 97.364  4.6561 -5.092094      5.070155 
1 1 1 31 10 13 o 157.106 1.6462 248.208  3.5259  158.438 1.9344 155.774 2.6643 2.664032       3.292464 
1 1 1 31 10 15 o 119.548 1.7723 142.992  2.8918  118.059 2.1093 121.036 2.8487 -2.977287      3.544560 
1 1 1 31 10 17 o 79.486  1.7163 63.348   1.8815  78.970  2.1022 80.001  2.7136 -1.030617      3.432630 
1 1 1 31 10 19 o 51.425  2.4475 27.252   1.6861  54.361  2.7015 48.489  4.0821 5.872368       4.895038 
1 1 1 31 10 21 o 42.137  3.1356 18.440   1.7923  44.595  3.5795 39.678  5.1494 4.916763       6.271300 
1 1 1 31 10 23 o 18.157  5.0889 2.2233   1.8841  17.043  6.5843 19.272  7.7610 -2.229084      10.17777 
1 1 1 31 10 25 o 59.035  2.5131 35.953   2.0629  61.308  3.1244 56.761  3.9371 4.547417       5.026222 
1 1 1 31 10 27 o 25.009  5.8604 7.0236   2.2754  23.881  7.0238 26.137  9.3831 -2.255804      11.72072 
1 1 1 31 10 29 o 25.560  5.0377 7.6742   2.0067  30.233  6.5215 20.887  7.6802 9.346357       10.07547 
1 1 1 31 10 31 o 25.045  5.5301 7.6245   2.1634  24.148  7.5976 25.942  8.0379 -1.793945      11.06028 
1 1 1 31 10 33 o 38.634  3.8340 16.475   2.0354  38.622  4.6290 38.645  6.1132 -0.2338409E-01 7.668049 
1 1 1 31 10 35 o 26.619  5.2719 9.3359   2.0746  25.102  7.6791 28.135  7.2253 -3.033066      10.54389 
1 1 1 31 11 0  o 76.534  6.9489 60.658   10.471  76.534  6.9489 ?       ?      0.000000       0.000000 
1 1 1 31 11 2  o 117.202 3.4919 139.103  5.7769  119.812 4.7430 114.592 5.1262 5.219963       6.983871 
1 1 1 31 11 4  o 110.398 3.4465 123.503  5.3566  113.073 4.5739 107.723 5.1567 5.350060       6.892930 
1 1 1 31 11 6  o 78.516  3.9808 63.016   4.3717  73.042  6.1191 83.989  5.0935 -10.94631      7.961600 
1 1 1 31 11 8  o 32.511  5.0611 9.2690   1.6583  26.879  4.0384 38.144  9.2817 -11.26541      10.12221 
1 1 1 31 11 10 o 52.958  3.8057 27.857   2.2424  51.786  3.0824 54.131  6.9594 -2.345097      7.611456 
1 1 1 31 11 12 o 88.901  2.2914 79.047   2.6338  87.888  2.3975 89.914  3.9057 -2.026100      4.582842 
1 1 1 31 11 14 o 147.022 2.1577 219.688  3.7459  149.382 1.8807 144.662 3.8841 4.719971       4.315482 
1 1 1 31 11 16 o 159.138 2.4213 256.809  4.3772  160.684 1.9868 157.592 4.4163 3.091660       4.842621 
1 1 1 31 11 18 o 135.812 2.1287 188.130  3.5017  138.620 1.9346 133.005 3.7925 5.613953       4.257396 
1 1 1 31 11 20 o 23.502  6.1115 4.5512   1.8903  19.392  5.8059 27.612  10.756 -8.219929      12.22291 
1 1 1 31 11 22 o 47.095  3.8722 22.065   2.2275  44.233  3.7531 49.956  6.7741 -5.722935      7.744310 
1 1 1 31 11 24 o 28.396  6.1477 9.1286   2.4991  29.581  6.2384 27.211  10.595 2.370146       12.29550 
1 1 1 31 11 26 o 29.765  5.4245 10.540   2.3225  33.429  6.1515 26.100  8.9364 7.328821       10.84898 
1 1 1 31 11 28 o 25.101  5.5986 7.2534   2.1454  24.023  7.0104 26.178  8.7310 -2.154591      11.19716 
1 1 1 31 11 30 o 23.039  5.8539 5.8925   2.4081  19.570  7.5640 26.507  8.9365 -6.937143      11.70786 
1 1 1 31 11 32 o 25.015  6.5225 7.8569   2.7805  23.182  7.7392 26.849  10.501 -3.666340      13.04506 
1 1 1 31 11 34 o 18.340  5.5272 2.2135   2.5540  18.879  7.2323 17.800  8.3601 1.079220       11.05432 
1 1 1 31 11 36 o 13.433  4.6211 -4.5840  2.5481  12.403  5.8911 14.464  7.1212 -2.061680      9.242129 
1 1 1 31 12 1  f 92.004  3.9476 85.358   5.0953  88.345  5.2760 95.663  5.8736 -7.318474      7.895272 
1 1 1 31 12 3  o 81.208  4.3353 67.293   4.9235  79.498  6.6663 82.918  5.5443 -3.420067      8.670547 
1 1 1 31 12 5  o 79.436  4.1496 64.085   4.6576  79.884  5.9947 78.989  5.7393 0.8954468      8.299129 
1 1 1 31 12 7  o 85.464  4.2285 73.554   5.0115  81.856  5.3823 89.072  6.5232 -7.216667      8.457029 
1 1 1 31 12 9  f 56.276  3.7362 29.660   2.1781  51.548  2.8489 61.004  6.9080 -9.455677      7.472402 
1 1 1 31 12 11 o 105.435 2.3516 112.620  3.1805  106.824 2.3909 104.047 4.0502 2.777039       4.703249 
1 1 1 31 12 13 o 51.978  4.9717 29.061   2.5540  54.564  3.2765 49.392  9.3880 5.172020       9.943314 
1 1 1 31 12 15 o 87.121  2.4528 76.512   2.2751  87.272  1.8291 86.971  4.5518 0.3013229      4.905540 
1 1 1 31 12 17 o 57.072  3.5145 31.089   1.8641  53.711  2.2587 60.433  6.6563 -6.722008      7.029051 
1 1 1 31 12 19 o 30.633  5.0123 10.283   1.7916  32.667  3.9092 28.600  9.2311 4.067223       10.02468 
1 1 1 31 12 21 o 31.260  5.6372 10.816   1.9386  33.591  3.8016 28.928  10.614 4.663143       11.27438 
1 1 1 31 12 23 o 23.084  5.0705 5.8166   1.8784  25.387  6.1025 20.782  8.0993 4.605597       10.14099 
1 1 1 31 12 25 o 26.057  5.7359 7.5076   2.2095  28.111  5.6500 24.002  9.9839 4.109701       11.47173 
1 1 1 31 12 27 o 31.300  5.6728 12.067   2.2565  36.574  4.1899 26.026  10.544 10.54805       11.34564 
1 1 1 31 12 29 o 30.005  5.2921 10.727   2.1367  30.928  5.7884 29.081  8.8612 1.846720       10.58429 
1 1 1 31 12 31 o 19.706  5.5455 3.7344   2.2227  18.979  7.0577 20.432  8.5557 -1.452841      11.09100 
1 1 1 31 12 33 o 27.333  6.1968 10.397   2.6714  27.738  7.7569 26.928  9.6661 0.8104115      12.39366 
1 1 1 31 12 35 o 21.862  6.0493 6.4106   2.6051  18.332  7.4809 25.391  9.5085 -7.058136      12.09856 
1 1 1 31 13 0  o 120.555 5.2651 147.111  12.642  120.555 5.2651 ?       ?      0.000000       0.000000 
1 1 1 31 13 2  o 111.988 2.8838 126.305  4.5544  110.948 3.9134 113.028 4.2368 -2.079407      5.767597 
1 1 1 31 13 4  f 102.156 3.4958 104.635  4.9464  98.234  4.4199 106.077 5.4173 -7.843285      6.991618 
1 1 1 31 13 6  o 135.505 2.7822 185.147  5.3313  136.676 3.9242 134.334 3.9451 2.342453       5.564435 
1 1 1 31 13 8  o 108.497 3.7453 118.575  5.6444  113.306 5.7479 103.689 4.8032 9.617195       7.490602 
1 1 1 31 13 10 o 74.036  3.4779 54.639   2.5528  72.914  2.3644 75.157  6.5416 -2.243279      6.955782 
1 1 1 31 13 12 o 21.366  5.5863 3.7897   2.0288  19.528  6.6000 23.203  9.0148 -3.675056      11.17262 
1 1 1 31 13 14 o 39.063  4.9747 16.382   2.3609  40.866  4.5310 37.260  8.8577 3.606453       9.949323 
1 1 1 31 13 16 o 75.995  2.5497 58.027   2.1454  75.571  2.0278 76.419  4.6790 -0.8476028     5.099473 
1 1 1 31 13 18 o 28.285  5.2650 8.6127   1.8446  30.226  4.2249 26.344  9.6453 3.881779       10.53003 
1 1 1 31 13 20 o 41.106  4.1978 17.927   1.8535  42.159  3.1804 40.053  7.7698 2.106766       8.395583 
1 1 1 31 13 22 o 21.890  6.1498 3.8107   2.1695  17.466  6.4128 26.313  10.495 -8.847095      12.29954 
1 1 1 31 13 24 o 25.657  5.4060 6.6481   1.8412  19.436  6.1601 31.878  8.8855 -12.44184      10.81196 
1 1 1 31 13 26 o 48.887  4.1429 25.757   2.2192  50.210  3.1792 47.565  7.6516 2.644974       8.285830 
1 1 1 31 13 28 o 31.323  5.7703 12.221   2.4135  35.434  4.8653 27.211  10.465 8.222918       11.54053 
1 1 1 31 13 30 o 27.676  5.5088 9.7436   2.3242  31.973  5.8057 23.378  9.3637 8.594566       11.01753 
1 1 1 31 13 32 o 16.398  5.1887 0.4992   2.2754  14.879  6.4635 17.917  8.1188 -3.037342      10.37749 
1 1 1 31 13 34 o 19.433  5.4136 4.1324   2.3429  21.660  7.6018 17.207  7.7098 4.452797       10.82719 
1 1 1 31 14 1  o 189.612 2.7979 362.584  7.4990  193.819 3.9532 185.405 3.9604 8.413620       5.595767 
1 1 1 31 14 3  o 154.096 3.1498 239.928  6.8460  151.621 4.2954 156.572 4.6082 -4.951538      6.299670 
1 1 1 31 14 5  o 49.893  5.4277 26.184   3.6934  43.586  8.3551 56.199  6.9305 -12.61282      10.85537 
1 1 1 31 14 7  o 48.133  6.0021 24.427   3.9168  46.230  7.4582 50.036  9.4061 -3.806286      12.00419 
1 1 1 31 14 9  o 33.760  5.3146 11.548   1.5272  33.421  2.8657 34.098  10.236 -0.6770935     10.62911 
1 1 1 31 14 11 o 48.252  3.7510 21.369   2.0927  41.477  3.5407 55.028  6.6139 -13.55073      7.501976 
1 1 1 31 14 13 o 56.116  3.6156 30.798   2.3779  52.877  3.2603 59.354  6.4545 -6.476734      7.231242 
1 1 1 31 14 15 o 81.507  2.8578 68.414   2.9900  84.064  2.8863 78.949  4.9334 5.114265       5.715667 
1 1 1 31 14 17 o 76.598  2.9401 58.806   2.2565  75.708  2.0241 77.488  5.5208 -1.779625      5.880175 
1 1 1 31 14 19 o 25.428  5.4708 6.5405   1.8137  23.325  5.5482 27.531  9.4305 -4.205948      10.94154 
1 1 1 31 14 21 o 46.855  4.6831 24.344   1.9865  49.429  2.7127 44.280  8.9648 5.148197       9.366289 
1 1 1 31 14 23 o 42.240  4.9372 19.720   2.1031  43.689  3.3614 40.791  9.2846 2.898262       9.874305 
1 1 1 31 14 25 o 20.169  5.5503 3.5702   2.1044  17.575  6.7329 22.764  8.8257 -5.188616      11.10063 
1 1 1 31 14 27 o 19.782  5.8860 2.7719   2.2535  15.648  6.4050 23.917  9.8771 -8.268711      11.77201 
1 1 1 31 14 29 o 21.478  6.0266 4.6047   2.5480  18.025  7.2932 24.931  9.5963 -6.905785      12.05315 
1 1 1 31 14 31 o 31.350  5.7705 12.860   2.4507  35.277  5.0679 27.423  10.369 7.854366       11.54100 
1 1 1 31 14 33 o 29.825  6.1983 12.718   2.7165  29.472  7.7109 30.179  9.7066 -0.7066822     12.39657 
1 1 1 31 15 0  o 106.786 5.0467 115.825  10.727  106.786 5.0467 ?       ?      0.000000       0.000000 
1 1 1 31 15 2  f 125.478 3.1322 159.599  5.5432  124.771 4.2474 126.185 4.6047 -1.413879      6.264465 
1 1 1 31 15 4  o 107.454 3.5709 117.492  5.4205  104.257 5.0220 110.650 5.0780 -6.393646      7.141866 
1 1 1 31 15 6  o 81.520  3.9599 67.996   4.5651  81.937  5.6107 81.102  5.5897 0.8350830      7.919871 
1 1 1 31 15 8  o 75.430  4.0020 58.453   4.2343  73.346  6.0937 77.514  5.1895 -4.167091      8.004038 
1 1 1 31 15 10 o 59.535  4.3230 34.690   2.2035  57.479  2.4439 61.591  8.2934 -4.112000      8.646020 
1 1 1 31 15 12 o 29.429  5.3594 9.5411   2.1560  33.357  4.7855 25.502  9.5912 7.854311       10.71872 
1 1 1 31 15 14 o 43.730  5.0587 19.893   2.4632  43.084  4.1496 44.375  9.2272 -1.291237      10.11734 
1 1 1 31 15 16 o 83.536  2.4586 71.573   2.3978  85.239  2.0974 81.834  4.4474 3.405327       4.917168 
1 1 1 31 15 18 o 98.065  2.8884 97.747   2.8822  98.246  2.0147 97.884  5.4142 0.3626785      5.776873 
1 1 1 31 15 20 o 56.983  3.2143 35.455   1.9989  61.556  2.3857 52.410  5.9696 9.145744       6.428701 
1 1 1 31 15 22 o 50.190  4.4006 27.041   2.3503  51.220  3.2411 49.159  8.1827 2.061020       8.801258 
1 1 1 31 15 24 o 24.124  5.7649 6.3850   2.2135  24.375  6.6344 23.874  9.4298 0.5010757      11.52977 
1 1 1 31 15 26 o 20.121  5.8351 3.3356   2.2309  17.193  6.5976 23.048  9.6262 -5.855093      11.67013 
1 1 1 31 15 28 o 20.798  5.8451 3.9776   2.4973  16.961  7.1809 24.634  9.2247 -7.672697      11.69021 
1 1 1 31 15 30 o 26.812  6.0798 9.1869   2.4248  25.825  6.9967 27.800  9.9448 -1.974768      12.15953 
1 1 1 31 15 32 o 19.557  5.6768 4.0750   2.3854  16.782  7.0252 22.331  8.9192 -5.549082      11.35363 
1 1 1 31 16 1  o 28.340  7.3729 6.5001   4.1527  24.332  10.425 32.347  10.429 -8.015350      14.74579 
1 1 1 31 16 3  o 88.454  3.7436 80.130   4.6532  85.780  5.6571 91.128  4.9047 -5.348305      7.487189 
1 1 1 31 16 5  o 79.076  4.2312 64.292   4.7241  75.876  6.1430 82.277  5.8203 -6.400566      8.462449 
1 1 1 31 16 7  f 31.813  7.6475 10.683   4.0884  32.621  11.263 31.004  10.348 1.617245       15.29494 
1 1 1 31 16 9  o 58.168  5.6283 35.937   4.5830  56.172  8.6389 60.164  7.2166 -3.992786      11.25659 
1 1 1 31 16 11 f 102.877 2.8065 106.662  3.3751  102.214 2.4362 103.540 5.0567 -1.326431      5.612975 
1 1 1 31 16 13 o 83.330  2.7902 71.614   2.9085  85.789  2.6794 80.872  4.8951 4.917610       5.580393 
1 1 1 31 16 15 o 92.486  2.7491 86.884   3.0505  92.555  2.4835 92.417  4.9053 0.1371460      5.498198 
1 1 1 31 16 17 o 59.682  3.6299 37.185   2.0823  60.931  2.3054 58.433  6.8841 2.498642       7.259890 
1 1 1 31 16 19 o 74.681  2.8946 57.865   2.2751  75.978  2.1009 73.384  5.3945 2.594162       5.789193 
1 1 1 31 16 21 o 33.703  5.1805 12.858   2.0242  35.258  4.1652 32.148  9.4870 3.109585       10.36105 
1 1 1 31 16 23 o 23.961  5.7338 6.1266   2.2802  25.532  6.4869 22.391  9.4566 3.140448       11.46767 
1 1 1 31 16 25 o 39.390  4.4762 16.080   1.9742  36.007  3.9012 42.773  8.0577 -6.766399      8.952431 
1 1 1 31 16 27 o 23.992  5.8841 6.8647   2.3936  24.799  7.1017 23.186  9.3839 1.612940       11.76827 
1 1 1 31 16 29 o 22.081  5.4892 5.0293   2.4545  25.838  6.9951 18.324  8.4613 7.514883       10.97838 
1 1 1 31 16 31 o 19.562  5.5721 4.0060   2.4121  20.436  7.3414 18.689  8.3845 1.747749       11.14426 
1 1 1 31 16 33 o 20.078  5.6143 5.1258   2.4538  21.618  7.7063 18.537  8.1666 3.081512       11.22852 
1 1 1 31 17 0  o 57.638  8.0583 35.118   9.0668  57.638  8.0583 ?       ?      0.000000       0.000000 
1 1 1 31 17 2  o 52.714  5.2548 29.150   3.8907  48.254  7.8070 57.174  7.0357 -8.920338      10.50951 
1 1 1 31 17 4  o 32.758  7.8447 11.583   4.3268  33.058  10.778 32.459  11.402 0.5984116      15.68944 
1 1 1 31 17 6  o 46.126  6.1905 23.145   3.8279  48.524  9.4155 43.728  8.0398 4.796112       12.38102 
1 1 1 31 17 8  o 76.594  3.7729 60.336   4.0854  76.685  5.4121 76.503  5.2580 0.1818924      7.545724 
1 1 1 31 17 10 o 108.547 2.1320 116.283  2.7065  105.322 1.8794 111.772 3.8274 -6.451019      4.263912 
1 1 1 31 17 12 o 54.189  3.4887 29.564   2.1337  53.097  2.8861 55.281  6.3526 -2.184109      6.977416 
1 1 1 31 17 14 o 71.377  2.7705 52.582   2.5297  73.476  2.7808 69.277  4.7927 4.199402       5.540983 
1 1 1 31 17 16 o 70.339  3.5088 51.375   2.9086  70.908  3.0616 69.770  6.3146 1.138756       7.017661 
1 1 1 31 17 18 o 84.270  3.1544 71.535   2.5779  82.760  2.0831 85.779  5.9549 -3.018547      6.308723 
1 1 1 31 17 20 o 37.931  5.6997 19.000   2.1865  46.068  3.1878 29.794  10.945 16.27438       11.39931 
1 1 1 31 17 22 f 50.549  4.2565 25.996   2.3716  47.672  3.4824 53.427  7.7682 -5.754654      8.513035 
1 1 1 31 17 24 f 22.718  5.8428 5.6625   2.2695  22.030  6.9851 23.405  9.3682 -1.374493      11.68566 
1 1 1 31 17 26 o 30.327  5.5980 11.148   2.2412  31.749  5.2288 28.905  9.9000 2.844284       11.19599 
1 1 1 31 17 28 o 26.531  6.2100 9.0848   2.5781  23.867  7.7381 29.196  9.7149 -5.329401      12.42008 
1 1 1 31 17 30 o 23.145  6.1569 6.5582   2.5481  17.087  7.0806 29.202  10.075 -12.11545      12.31388 
1 1 1 31 17 32 o 21.933  5.5944 6.6521   2.3086  23.816  7.1814 20.049  8.5801 3.767466       11.18889 
1 1 1 31 18 1  o 87.833  4.5119 80.310   5.3885  87.112  7.3297 88.554  5.2636 -1.442062      9.023855 
1 1 1 31 18 3  o 41.162  7.9681 19.137   4.8161  33.037  10.945 49.287  11.583 -16.24944      15.93622 
1 1 1 31 18 5  o 37.321  6.3513 15.554   3.3372  42.461  8.7206 32.181  9.2363 10.27962       12.70267 
1 1 1 31 18 7  o 63.615  6.1757 43.876   5.5484  66.087  8.6954 61.142  8.7720 4.944603       12.35147 
1 1 1 31 18 9  o 62.633  4.4651 41.241   3.9058  61.090  6.8982 64.175  5.6712 -3.084534      8.930122 
1 1 1 31 18 11 o 19.406  5.2808 2.1513   1.9597  19.972  6.1291 18.839  8.6012 1.133141       10.56157 
1 1 1 31 18 13 o 34.093  6.2562 10.943   2.4393  24.568  6.6110 43.619  10.623 -19.05043      12.51247 
1 1 1 31 18 15 o 87.001  2.9277 77.229   2.9022  86.454  2.4372 87.548  5.3240 -1.094139      5.855349 
1 1 1 31 18 17 o 78.081  3.0526 60.650   2.4393  75.435  2.2007 80.727  5.6948 -5.292282      6.105193 
1 1 1 31 18 19 o 33.012  5.6140 12.393   1.9949  34.218  3.9185 31.805  10.522 2.413353       11.22809 
1 1 1 31 18 21 f 23.331  6.1706 5.3620   2.1606  19.646  6.4610 27.016  10.515 -7.370752      12.34123 
1 1 1 31 18 23 o 21.091  5.3132 3.7033   2.3396  24.879  6.9317 17.302  8.0543 7.576492       10.62637 
1 1 1 31 18 25 o 15.681  5.1652 -1.2957  2.2675  12.530  5.7575 18.832  8.5771 -6.302084      10.33032 
1 1 1 31 18 27 o 22.016  5.5739 4.9535   2.3994  15.874  7.0036 28.159  8.6733 -12.28501      11.14788 
1 1 1 31 18 29 o 46.077  4.4985 25.342   2.5781  48.389  4.3544 43.766  7.8731 4.623547       8.997056 
1 1 1 31 18 31 o 18.418  5.6343 3.1983   2.6172  18.054  7.2979 18.783  8.5862 -0.7286644     11.26864 
1 1 1 31 19 0  o 102.799 5.3727 108.290  10.982  102.799 5.3727 ?       ?      0.000000       0.000000 
1 1 1 31 19 2  o 101.802 4.4604 108.519  6.4155  100.509 6.4798 103.096 6.1314 -2.587616      8.920821 
1 1 1 31 19 4  o 95.959  3.8991 95.017   4.9165  96.246  6.5677 95.673  4.2045 0.5737381      7.798278 
1 1 1 31 19 6  o 70.272  4.7640 51.995   4.5133  70.275  5.4515 70.270  7.8144 0.4791260E-02  9.528038 
1 1 1 31 19 8  o 53.143  5.9212 31.043   4.2542  61.876  7.4298 44.410  9.2218 17.46582       11.84246 
1 1 1 31 19 10 o 31.815  7.9872 11.419   4.4695  31.525  12.095 32.104  10.436 -0.5790615     15.97442 
1 1 1 31 19 12 o 49.835  5.8816 31.364   2.6707  58.841  3.1469 40.830  11.334 18.01140       11.76314 
1 1 1 31 19 14 o 81.151  2.7672 66.672   2.9410  78.397  3.0135 83.906  4.6419 -5.509621      5.534314 
1 1 1 31 19 16 o 61.604  4.6148 41.381   3.2178  63.487  3.7212 59.721  8.4463 3.766750       9.229696 
1 1 1 31 19 18 o 50.453  4.0959 26.676   2.0648  50.334  2.7908 50.571  7.7018 -0.2374001     8.191803 
1 1 1 31 19 20 o 57.583  3.6321 34.984   2.3164  57.737  2.8753 57.429  6.6709 0.3078232      7.264201 
1 1 1 31 19 22 o 55.641  4.8906 32.299   2.5354  53.455  3.1056 57.826  9.2751 -4.371452      9.781220 
1 1 1 31 19 24 o 60.182  4.3114 40.939   2.7043  63.446  3.0191 56.918  8.0770 6.528698       8.622812 
1 1 1 31 19 26 o 21.267  5.5161 5.2658   2.1033  19.374  7.0793 23.159  8.4614 -3.784983      11.03229 
1 1 1 31 19 28 o 26.086  5.7685 9.2808   2.3193  24.193  7.5948 27.979  8.6845 -3.786381      11.53691 
1 1 1 31 19 30 f 14.875  4.8585 -0.7115  2.3384  14.468  6.4621 15.283  7.2567 -0.8152838     9.716910 
1 1 1 31 20 1  o 75.875  4.7472 61.729   4.9509  81.543  5.6378 70.208  7.6394 11.33494       9.494473 
1 1 1 31 20 3  f 123.906 3.1747 157.389  5.5286  124.815 4.7575 122.996 4.2049 1.818932       6.349410 
1 1 1 31 20 5  o 108.447 3.9426 121.981  5.8688  109.861 6.2769 107.032 4.7724 2.828789       7.885119 
1 1 1 31 20 7  o 35.739  7.8649 15.654   4.4190  34.388  11.589 37.090  10.636 -2.702000      15.72978 
1 1 1 31 20 9  o 48.022  6.2158 26.594   4.0983  47.605  9.5913 48.438  7.9091 -0.8329468     12.43167 
1 1 1 31 20 11 o 35.102  6.2414 11.859   1.9559  30.680  3.9542 39.524  11.840 -8.844303      12.48272 
1 1 1 31 20 13 o 17.907  5.4028 1.3196   2.1283  15.594  6.3977 20.220  8.7081 -4.625968      10.80564 
1 1 1 31 20 15 o 19.530  5.8938 1.9910   2.4829  16.199  6.7887 22.861  9.6364 -6.661844      11.78754 
1 1 1 31 20 17 o 17.523  5.6259 -1.3877  2.6221  16.297  6.7398 18.748  9.0098 -2.451553      11.25171 
1 1 1 31 20 19 o 17.513  4.7659 1.1151   1.9389  20.145  6.2919 14.881  7.1602 5.263361       9.531886 
1 1 1 31 20 21 o 53.168  3.5258 30.875   2.1424  55.816  2.8599 50.520  6.4457 5.295296       7.051615 
1 1 1 31 20 23 o 60.982  4.4859 42.199   2.6902  64.080  2.8896 57.884  8.4936 6.195564       8.971733 
1 1 1 31 20 25 o 35.560  6.1376 16.045   2.4980  36.911  4.6706 34.209  11.352 2.701443       12.27517 
1 1 1 31 20 27 o 15.947  5.1314 -0.4374  2.5397  13.862  6.5261 18.033  7.9207 -4.171249      10.26290 
1 1 1 31 20 29 o 16.121  5.1549 1.0183   2.3264  14.513  6.4272 17.730  8.0613 -3.217140      10.30986 
1 1 1 31 21 0  o 67.611  6.8313 48.909   9.0668  67.611  6.8313 ?       ?      0.000000       0.000000 
1 1 1 31 21 2  o 60.604  5.0669 40.145   4.3040  66.458  6.7253 54.750  7.5804 11.70759       10.13371 
1 1 1 31 21 4  o 30.799  7.3580 11.013   4.1346  36.255  10.273 25.343  10.537 10.91240       14.71606 
1 1 1 31 21 6  o 58.245  5.8294 38.502   4.7888  60.712  7.8878 55.778  8.5854 4.933079       11.65871 
1 1 1 31 21 8  o 42.327  7.5885 22.833   4.4440  39.840  12.526 44.814  8.5698 -4.974251      15.17697 
1 1 1 31 21 10 o 29.316  7.9913 9.8554   4.7111  26.584  10.774 32.048  11.805 -5.464275      15.98269 
1 1 1 31 21 12 o 42.356  4.3164 19.262   2.0708  42.402  3.6140 42.310  7.8400 0.9192276E-01  8.632882 
1 1 1 31 21 14 o 24.525  6.2187 6.3494   2.4115  21.087  7.1288 27.962  10.192 -6.874950      12.43737 
1 1 1 31 21 16 o 29.164  6.4785 10.025   2.5352  28.854  6.1564 29.475  11.401 -0.6217213     12.95692 
1 1 1 31 21 18 o 29.558  5.0833 11.331   1.8276  36.217  3.3497 22.900  9.5989 13.31673       10.16657 
1 1 1 31 21 20 o 41.796  5.5892 23.141   2.3503  50.168  3.3091 33.423  10.677 16.74511       11.17839 
1 1 1 31 21 22 o 60.513  4.6500 42.692   2.5613  65.165  2.6455 55.860  8.9157 9.304920       9.299932 
1 1 1 31 21 24 o 39.355  5.5715 24.175   2.6294  53.521  3.4597 25.190  10.592 28.33047       11.14305 
1 1 1 31 21 26 o 17.290  5.2734 1.9728   2.3264  17.351  6.9747 17.229  7.9114 0.1211681      10.54689 
1 1 1 31 22 1  o 69.295  4.5974 52.102   4.4958  69.503  6.2469 69.086  6.7468 0.4174805      9.194753 
1 1 1 31 22 3  o 40.199  7.4524 20.456   4.3040  43.091  10.462 37.307  10.616 5.783833       14.90478 
1 1 1 31 22 5  o 36.559  6.5237 15.729   3.7538  49.034  8.9244 24.085  9.5178 24.94889       13.04736 
1 1 1 31 22 7  o 48.735  6.4808 28.719   4.3097  56.148  7.6191 41.322  10.486 14.82613       12.96160 
1 1 1 31 22 9  o 60.554  5.5399 42.143   4.6182  57.535  8.8781 63.573  6.6288 -6.037647      11.07983 
1 1 1 31 22 11 o 68.301  3.5372 45.159   2.4023  63.160  2.5273 73.441  6.6075 -10.28129      7.074337 
1 1 1 31 22 13 o 63.046  3.3050 39.607   2.4632  58.575  3.0522 67.518  5.8632 -8.943352      6.610089 
1 1 1 31 22 15 o 66.023  3.8388 46.684   2.9937  66.337  3.3688 65.709  6.8991 0.6279297      7.677677 
1 1 1 31 22 17 o 57.264  4.2910 36.313   2.7788  59.287  3.4463 55.242  7.8597 4.045238       8.582048 
1 1 1 31 22 19 o 60.718  3.4405 39.984   2.1786  62.895  2.4365 58.540  6.4352 4.354923       6.880980 
1 1 1 31 22 21 o 65.633  3.0436 45.249   2.2802  65.505  2.5343 65.760  5.5345 -0.2543335     6.087153 
1 1 1 31 22 23 o 55.457  4.3141 34.328   2.4882  55.370  3.1135 55.544  8.0469 -0.1739616     8.628212 
1 1 1 31 22 25 o 19.768  5.9792 4.1383   2.6931  18.762  7.2202 20.775  9.5326 -2.013002      11.95835 
1 1 1 31 23 0  o 95.127  5.8174 95.009   10.982  95.127  5.8174 ?       ?      0.000000       0.000000 
1 1 1 31 23 2  o 68.999  4.5552 52.096   4.3307  68.881  7.2304 69.118  5.5427 -0.2370758     9.110455 
1 1 1 31 23 4  o 36.928  7.8263 18.361   4.5012  32.765  11.268 41.091  10.865 -8.325977      15.65269 
1 1 1 31 23 6  o 25.626  7.2590 5.9347   4.2343  22.229  9.9016 29.024  10.618 -6.794273      14.51802 
1 1 1 31 23 8  o 24.234  7.3402 3.8284   4.4687  24.158  10.861 24.309  9.8764 -0.1507225     14.68032 
1 1 1 31 23 10 o 64.144  3.0199 40.290   1.9155  60.606  2.1071 67.681  5.6604 -7.075188      6.039833 
1 1 1 31 23 12 f 38.093  5.5622 17.943   2.1424  42.594  3.4478 33.593  10.577 9.000748       11.12439 
1 1 1 31 23 14 o 20.501  6.0026 3.3276   2.3280  16.321  6.5861 24.680  10.037 -8.359749      12.00516 
1 1 1 31 23 16 o 20.935  5.9487 4.0107   2.5681  20.702  7.3508 21.168  9.3548 -0.4657154     11.89739 
1 1 1 31 23 18 o 19.392  5.5815 2.3538   1.8637  11.856  5.2864 26.929  9.8320 -15.07360      11.16307 
1 1 1 31 23 20 o 23.504  5.5256 6.3334   2.1519  26.208  5.5317 20.799  9.5670 5.409765       11.05115 
1 1 1 31 23 22 o 17.289  5.4823 1.5878   2.2309  13.921  6.0775 20.656  9.1261 -6.734959      10.96458 
1 1 1 31 23 24 o 18.653  5.5318 3.0537   2.4874  19.330  7.0777 17.976  8.5035 1.353634       11.06359 
1 1 1 31 24 1  o 36.469  6.9736 16.727   3.7141  30.140  9.7078 42.799  10.014 -12.65872      13.94713 
1 1 1 31 24 3  o 33.417  7.5732 12.799   5.2804  44.899  11.133 21.935  10.270 22.96424       15.14647 
1 1 1 31 24 5  o 25.832  7.6250 6.9132   4.6302  25.799  11.132 25.864  10.423 -0.6462860E-01 15.25007 
1 1 1 31 24 7  o 32.828  7.6343 14.875   4.1410  37.772  11.301 27.884  10.268 9.888573       15.26864 
1 1 1 31 24 9  o 52.726  6.5333 33.790   4.6449  62.716  8.9591 42.736  9.5115 19.98021       13.06652 
1 1 1 31 24 11 o 69.553  3.3482 50.872   2.5218  69.996  2.5542 69.110  6.1901 0.8863983      6.696373 
1 1 1 31 24 13 o 54.622  3.3940 31.644   2.3083  54.426  3.2849 54.819  5.9402 -0.3934822     6.787972 
1 1 1 31 24 15 o 51.482  4.3894 29.765   2.6953  52.702  3.8769 50.262  7.8762 2.440147       8.778722 
1 1 1 31 24 17 o 38.181  6.0167 20.560   2.9797  47.335  4.7212 29.027  11.069 18.30742       12.03339 
1 1 1 31 24 19 o 25.158  5.8542 7.9605   2.0032  24.402  5.6090 25.914  10.277 -1.512520      11.70835 
1 1 1 31 24 21 o 14.638  4.6715 -1.3724  2.0820  14.975  6.1389 14.300  7.0433 0.6748314      9.343080 
1 1 1 31 24 23 o 23.785  6.0259 8.0944   2.3263  22.338  6.9690 25.232  9.8325 -2.893408      12.05176 
1 1 1 31 25 0  o 79.397  8.5376 71.513   13.281  79.397  8.5376 ?       ?      0.000000       0.000000 
1 1 1 31 25 2  o 72.887  5.3110 61.003   5.3425  70.520  6.6096 75.253  8.3150 -4.733665      10.62198 
1 1 1 31 25 4  o 32.634  7.1514 14.395   3.6637  34.189  9.4167 31.079  10.766 3.109621       14.30281 
1 1 1 31 25 6  o 34.527  7.5648 16.631   4.0375  34.773  11.352 34.282  10.002 0.4909935      15.12952 
1 1 1 31 25 8  o 22.712  7.3423 0.5513   5.3160  19.997  9.4540 25.426  11.236 -5.428898      14.68457 
1 1 1 31 25 10 o 22.388  5.6062 5.2327   1.8840  22.487  5.4451 22.289  9.8014 0.1984997      11.21230 
1 1 1 31 25 12 o 49.956  4.9196 29.163   2.6212  52.863  3.6235 47.049  9.1477 5.814754       9.839201 
1 1 1 31 25 14 o 43.493  5.2739 21.494   2.7951  39.818  5.2918 47.169  9.1243 -7.351612      10.54782 
1 1 1 31 25 16 o 23.856  6.6615 7.4173   2.9265  21.966  7.7187 25.747  10.859 -3.780136      13.32302 
1 1 1 31 25 18 o 27.858  5.5827 9.6717   1.8819  27.235  4.8641 28.481  10.050 -1.246384      11.16540 
1 1 1 31 25 20 o 19.150  5.7680 3.9231   2.2645  16.476  6.5287 21.825  9.5109 -5.348598      11.53605 
1 1 1 31 26 1  o 34.007  8.3682 18.271   5.1727  30.167  12.262 37.847  11.390 -7.680035      16.73641 
1 1 1 31 26 3  o 39.190  8.1513 22.935   4.7444  41.209  12.268 37.171  10.736 4.037983       16.30267 
1 1 1 31 26 5  o 22.700  7.3051 2.4081   5.0351  21.353  9.6574 24.047  10.963 -2.693588      14.61027 
1 1 1 31 26 7  o 26.058  7.6372 7.8749   4.9672  30.120  11.411 21.995  10.154 8.124823       15.27441 
1 1 1 31 26 9  o 26.860  5.0795 8.3238   1.5479  27.685  3.6901 26.034  9.4652 1.651180       10.15906 
1 1 1 31 26 11 o 36.072  5.4878 14.580   2.1995  33.164  4.6207 38.980  9.9554 -5.815937      10.97550 
1 1 1 31 26 13 o 36.144  5.7151 15.662   2.4632  33.554  5.3282 38.735  10.112 -5.181778      11.43010 
1 1 1 31 26 15 o 17.190  5.5789 -0.0422  2.8010  16.273  6.9275 18.107  8.7468 -1.833984      11.15779 
1 1 1 31 26 17 o 21.354  5.8356 5.4911   1.9311  18.632  6.0224 24.075  9.9972 -5.442909      11.67111 
1 1 1 31 26 19 f 15.892  5.1492 0.9756   1.9308  11.884  5.3536 19.901  8.7974 -8.017458      10.29836 
1 1 1 31 27 0  o 56.911  7.9195 36.906   8.8114  56.911  7.9195 ?       ?      0.000000       0.000000 
1 1 1 31 27 2  o 35.999  8.2552 20.995   4.8205  37.642  11.682 34.357  11.667 3.285336       16.51040 
1 1 1 31 27 4  o 37.223  8.6685 23.687   5.3801  40.114  11.894 34.331  12.614 5.782604       17.33702 
1 1 1 31 27 6  o 26.788  7.9127 10.269   5.0711  29.685  11.805 23.890  10.540 5.795652       15.82542 
1 1 1 31 27 8  o 25.621  5.2391 7.7429   1.2996  27.706  2.7654 23.535  10.107 4.171272       10.47821 
1 1 1 31 27 10 o 24.285  5.5514 7.5545   1.9962  24.979  5.7406 23.592  9.5034 1.386868       11.10270 
1 1 1 31 27 12 o 28.543  6.0978 11.352   2.5425  32.094  5.1727 24.993  11.044 7.101217       12.19556 
1 1 1 31 27 14 o 23.186  6.6855 7.4184   2.7766  19.671  7.3073 26.700  11.198 -7.028442      13.37101 
1 1 1 31 27 16 o 15.230  4.9473 0.9301   1.4867  10.495  4.6384 19.965  8.7401 -9.469951      9.894631 
1 1 1 31 28 1  o 20.252  6.6722 0.0174   4.6563  23.738  10.579 16.767  8.1339 6.970112       13.34448 
1 1 1 31 28 3  o 20.676  6.7540 1.9383   4.6576  22.559  10.143 18.793  8.9213 3.766489       13.50798 
1 1 1 31 28 5  o 24.391  6.9221 7.3428   4.1503  18.335  8.6374 30.446  10.819 -12.11083      13.84414 
1 1 1 31 28 7  o 29.534  7.7950 14.774   4.1975  35.169  12.319 23.899  9.5546 11.27015       15.58990 
1 1 1 31 28 9  o 19.812  5.4370 4.3111   1.8428  18.994  5.8302 20.631  9.1791 -1.637489      10.87409 
1 1 1 31 28 11 f 31.267  5.6421 14.965   2.4535  39.346  4.0570 23.189  10.530 16.15635       11.28413 
1 1 1 31 28 13 f 26.071  6.3637 9.7656   2.4249  23.237  6.9138 28.906  10.686 -5.668571      12.72748 
1 1 1 31 29 0  o 13.982  9.7577 -2.1709  9.4499  13.982  9.7577 ?       ?      0.000000       0.000000 
1 1 1 31 29 2  o 20.641  6.6084 4.1198   4.1346  21.667  9.7357 19.615  8.9385 2.052080       13.21672 
1 1 1 31 29 4  o 22.307  6.9989 6.8694   4.4686  20.836  9.5490 23.778  10.235 -2.942057      13.99778 
1 1 1 31 29 6  o 27.179  7.6616 13.752   5.0663  21.059  9.8803 33.298  11.712 -12.23859      15.32317 
1 1 1 31 29 8  o 33.028  5.3960 17.393   2.0432  43.146  2.9598 22.910  10.378 20.23530       10.79200 
1 1 1 32 1  1  o 217.423 2.0250 474.316  6.2253  219.013 2.8279 215.834 2.8991 3.178802       4.049954 
1 1 1 32 1  3  f 161.261 1.8199 260.612  4.1463  159.730 2.5184 162.792 2.6279 -3.062042      3.639769 
1 1 1 32 1  5  o 147.968 1.8466 219.442  3.8564  149.094 2.6980 146.842 2.5220 2.252243       3.693192 
1 1 1 32 1  7  o 131.175 1.8997 172.178  3.4700  132.785 2.9332 129.566 2.4147 3.218521       3.799313 
1 1 1 32 1  9  f 165.009 1.9343 273.622  4.4904  162.891 2.9007 167.127 2.5597 -4.236465      3.868604 
1 1 1 32 1  11 o 60.676  2.5123 36.982   2.1004  60.945  3.9812 60.408  3.0653 0.5371857      5.024511 
1 1 1 32 1  13 o 56.394  2.6491 31.705   2.0587  58.377  4.1563 54.411  3.2857 3.965324       5.298198 
1 1 1 32 1  15 o 54.651  2.8257 29.636   2.0789  57.063  4.5877 52.239  3.3002 4.824543       5.651338 
1 1 1 32 1  17 f 54.398  2.6979 29.719   2.0511  56.272  4.0848 52.524  3.5254 3.748402       5.395755 
1 1 1 32 1  19 o 63.361  2.9194 42.133   2.3384  58.661  5.1158 68.061  2.8144 -9.399811      5.838830 
1 1 1 32 1  21 o 68.673  2.4079 47.629   2.3091  68.235  3.0879 69.110  3.6956 -0.8747330     4.815875 
1 1 1 32 1  23 o 56.347  2.7035 32.348   2.1156  56.789  3.3730 55.905  4.2258 0.8839912      5.406950 
1 1 1 32 1  25 o 27.699  6.0559 8.2990   2.4621  31.071  9.5549 24.326  7.4430 6.744518       12.11171 
1 1 1 32 1  27 o 40.387  3.6181 17.254   2.0253  41.610  4.4500 39.164  5.7062 2.446369       7.236287 
1 1 1 32 1  29 o 45.835  3.2995 21.997   2.1271  44.615  4.4365 47.055  4.8850 -2.439968      6.598914 
1 1 1 32 1  31 o 24.429  4.9577 6.5979   1.8623  17.973  6.6718 30.885  7.3351 -12.91192      9.915476 
1 1 1 32 1  33 o 17.986  5.1862 2.5855   2.0511  19.463  7.7929 16.509  6.8451 2.954546       10.37236 
1 1 1 32 1  35 o 16.023  4.8256 1.2070   1.9773  14.439  6.5510 17.607  7.0872 -3.167738      9.651135 
1 1 1 32 1  37 o 25.891  5.7781 9.6293   2.3607  25.390  8.0673 26.392  8.2744 -1.001835      11.55629 
1 1 1 32 2  0  o 70.118  3.1093 49.548   4.3418  70.118  3.1093 ?       ?      0.000000       0.000000 
1 1 1 32 2  2  o 106.479 1.8775 114.220  2.8036  102.598 2.8628 110.360 2.4300 -7.762535      3.755013 
1 1 1 32 2  4  o 83.366  1.8457 69.811   2.1690  81.597  2.7388 85.134  2.4750 -3.536896      3.691401 
1 1 1 32 2  6  f 102.197 1.8177 104.969  2.6116  100.277 2.7380 104.117 2.3917 -3.839714      3.635497 
1 1 1 32 2  8  o 63.777  2.1414 40.609   1.8623  64.934  3.4416 62.621  2.5491 2.313572       4.282807 
1 1 1 32 2  10 o 95.016  1.8609 90.186   2.4492  96.690  2.9056 93.341  2.3258 3.348564       3.721797 
1 1 1 32 2  12 o 124.493 1.8588 155.495  3.2251  124.378 2.8748 124.608 2.3571 -0.2305069     3.717585 
1 1 1 32 2  14 o 53.374  2.6712 28.098   1.9256  56.466  4.2970 50.283  3.1745 6.182529       5.342443 
1 1 1 32 2  16 o 72.427  2.3519 53.717   2.2566  69.296  3.9621 75.559  2.5351 -6.262383      4.703714 
1 1 1 32 2  18 o 91.730  2.1641 84.409   2.7964  95.271  3.1499 88.189  2.9685 7.082558       4.328259 
1 1 1 32 2  20 o 83.615  2.1119 70.294   2.4640  82.538  2.7076 84.692  3.2418 -2.153732      4.223793 
1 1 1 32 2  22 o 34.834  4.1765 12.764   2.0067  34.985  5.4752 34.683  6.3084 0.3027267      8.353039 
1 1 1 32 2  24 o 27.933  4.7896 8.5386   1.8787  30.561  6.6616 25.305  6.8837 5.256557       9.579237 
1 1 1 32 2  26 o 44.159  4.4451 21.543   2.5930  40.314  7.4039 48.004  4.9214 -7.690102      8.890297 
1 1 1 32 2  28 o 31.503  4.2206 10.736   1.8164  39.977  5.2707 23.030  6.5933 16.94693       8.441122 
1 1 1 32 2  30 o 41.390  3.6857 18.301   2.1271  36.057  5.4895 46.724  4.9196 -10.66655      7.371377 
1 1 1 32 2  32 o 15.971  5.0198 -0.1727  2.2555  14.965  6.7282 16.978  7.4516 -2.012396      10.03967 
1 1 1 32 2  34 o 26.975  5.5345 9.2583   2.2348  26.879  7.8361 27.072  7.8179 -0.1932812     11.06905 
1 1 1 32 2  36 o 29.215  5.2991 11.134   2.1802  28.289  7.0210 30.141  7.9390 -1.851715      10.59819 
1 1 1 32 3  1  o 82.742  1.7464 68.639   2.0432  83.553  2.4454 81.932  2.4938 1.620522       3.492716 
1 1 1 32 3  3  o 167.106 1.8643 280.048  4.4057  167.220 2.6347 166.991 2.6383 0.2292786      3.728528 
1 1 1 32 3  5  o 283.497 2.2948 806.609  9.1661  286.106 3.3922 280.889 3.0915 5.216705       4.589588 
1 1 1 32 3  7  o 160.364 1.8278 257.882  4.0627  160.506 2.8642 160.221 2.2715 0.2850189      3.655621 
1 1 1 32 3  9  o 52.619  2.4859 27.350   1.7966  55.964  3.8791 49.275  3.1099 6.689251       4.971845 
1 1 1 32 3  11 o 41.471  3.4976 17.132   1.9714  43.308  5.6024 39.633  4.1887 3.675152       6.995161 
1 1 1 32 3  13 o 63.657  2.1675 41.203   1.8964  60.470  3.4845 66.844  2.5791 -6.373936      4.335093 
1 1 1 32 3  15 o 41.138  3.6366 17.539   1.9933  38.714  6.1023 43.562  3.9575 -4.847244      7.273233 
1 1 1 32 3  17 o 76.952  2.0974 59.843   2.2555  78.895  2.6707 75.009  3.2347 3.886513       4.194772 
1 1 1 32 3  19 o 123.550 1.8250 153.865  3.1216  124.968 2.2481 122.133 2.8754 2.834763       3.649904 
1 1 1 32 3  21 o 149.206 1.7567 224.160  3.7022  151.340 2.4048 147.072 2.5615 4.268463       3.513439 
1 1 1 32 3  23 f 69.496  3.4026 47.259   2.8044  64.914  3.1476 74.079  6.0335 -9.165077      6.805171 
1 1 1 32 3  25 o 33.281  4.6711 12.313   2.1385  38.866  5.4213 27.696  7.6082 11.17006       9.342173 
1 1 1 32 3  27 o 35.258  5.6531 14.505   2.7742  39.740  7.5041 30.775  8.4570 8.965109       11.30626 
1 1 1 32 3  29 o 37.598  3.4517 14.961   1.8192  34.322  5.2090 40.874  4.5302 -6.552113      6.903321 
1 1 1 32 3  31 o 29.861  5.1109 10.542   2.1271  28.940  6.9224 30.782  7.5211 -1.842154      10.22183 
1 1 1 32 3  33 o 20.477  5.1938 4.7164   1.8815  18.806  6.8266 22.148  7.8294 -3.341713      10.38762 
1 1 1 32 3  35 o 20.639  5.4580 5.1381   2.1634  22.809  8.0571 18.469  7.3649 4.340590       10.91597 
1 1 1 32 3  37 o 17.592  5.2470 2.5873   2.3266  15.581  7.0881 19.603  7.7384 -4.022297      10.49397 
1 1 1 32 4  0  o 37.176  3.8527 14.302   2.8094  37.176  3.8527 ?       ?      0.000000       0.000000 
1 1 1 32 4  2  o 53.900  2.2204 29.133   1.6866  54.658  3.2709 53.143  3.0037 1.514553       4.440861 
1 1 1 32 4  4  o 176.339 1.8563 311.492  4.6184  173.541 2.5387 179.138 2.7089 -5.597275      3.712552 
1 1 1 32 4  6  o 174.066 1.8033 303.975  4.4374  172.191 2.5957 175.940 2.5041 -3.749023      3.606655 
1 1 1 32 4  8  o 41.172  3.1741 17.144   1.6761  40.925  5.4606 41.418  3.2374 -0.4933624     6.348159 
1 1 1 32 4  10 o 51.093  2.3809 26.297   1.6432  50.736  3.9013 51.449  2.7303 -0.7130318     4.761762 
1 1 1 32 4  12 o 91.384  1.8273 83.926   2.2776  90.783  2.9540 91.984  2.1518 -1.201103      3.654642 
1 1 1 32 4  14 o 70.612  1.8923 50.037   1.8701  70.455  2.4469 70.770  2.8871 -0.3146362     3.784554 
1 1 1 32 4  16 o 71.553  2.0563 51.342   2.0511  70.396  2.6304 72.711  3.1613 -2.315567      4.112500 
1 1 1 32 4  18 o 119.043 1.9170 142.208  3.1108  118.343 2.2661 119.744 3.0927 -1.400482      3.834039 
1 1 1 32 4  20 f 146.578 1.8524 216.456  3.8214  147.954 2.4599 145.202 2.7703 2.751846       3.704817 
1 1 1 32 4  22 o 91.067  1.8380 83.618   2.3556  91.491  2.4426 90.643  2.7472 0.8477402      3.676076 
1 1 1 32 4  24 o 30.372  5.3548 10.375   2.2321  32.307  5.9548 28.436  8.9015 3.871176       10.70962 
1 1 1 32 4  26 o 32.923  4.7391 12.175   2.1004  35.495  5.2167 30.352  7.9134 5.142986       9.478223 
1 1 1 32 4  28 f 17.736  5.4063 0.6932   2.4081  20.347  8.4337 15.126  6.7663 5.220469       10.81253 
1 1 1 32 4  30 o 16.646  4.9208 1.4905   1.9427  16.435  7.0187 16.858  6.8990 -0.4225788     9.841672 
1 1 1 32 4  32 o 20.068  5.2709 4.1583   2.0412  22.503  7.7366 17.633  7.1606 4.870644       10.54179 
1 1 1 32 4  34 o 31.097  4.6398 11.621   2.0067  35.769  5.3553 26.424  7.5784 9.344204       9.279606 
1 1 1 32 4  36 o 21.941  4.6901 6.0756   1.6577  25.280  6.3239 18.601  6.9279 6.678827       9.380131 
1 1 1 32 5  1  o 51.123  1.9047 26.280   1.3720  52.688  2.5449 49.558  2.8345 3.129910       3.809314 
1 1 1 32 5  3  o 126.783 1.7107 160.696  3.0435  129.248 2.5689 124.317 2.2599 4.930603       3.421429 
1 1 1 32 5  5  o 175.734 1.9268 309.736  4.7854  177.789 2.7653 173.679 2.6837 4.109787       3.853510 
1 1 1 32 5  7  o 119.769 1.5887 143.910  2.6680  119.055 2.4134 120.482 2.0668 -1.426590      3.177467 
1 1 1 32 5  9  o 27.796  4.0780 8.3165   1.4366  25.160  7.2290 30.432  3.7767 -5.271841      8.156087 
1 1 1 32 5  11 o 64.353  1.9801 41.466   1.7513  63.840  2.4004 64.866  3.1499 -1.025986      3.960245 
1 1 1 32 5  13 o 36.459  2.8600 13.485   1.3792  37.044  3.1026 35.874  4.8055 1.169399       5.720058 
1 1 1 32 5  15 o 22.971  4.5167 5.4166   1.4898  19.857  5.9591 26.086  6.7890 -6.228573      9.033340 
1 1 1 32 5  17 o 52.216  2.5025 27.590   1.7744  52.719  2.9068 51.714  4.0744 1.004414       5.005047 
1 1 1 32 5  19 o 42.522  3.0856 18.389   1.7520  42.657  3.4427 42.388  5.1216 0.2690468      6.171153 
1 1 1 32 5  21 o 94.703  1.8225 90.565   2.4112  96.206  2.3229 93.201  2.8089 3.005013       3.644932 
1 1 1 32 5  23 o 86.924  1.8493 76.351   2.2626  88.499  2.4531 85.350  2.7680 3.148628       3.698534 
1 1 1 32 5  25 o 27.983  4.5980 8.7521   1.7787  28.244  6.0527 27.721  6.9232 0.5230827      9.195986 
1 1 1 32 5  27 o 20.524  5.4266 4.0540   2.1347  21.269  7.5879 19.779  7.7598 1.490225       10.85316 
1 1 1 32 5  29 o 15.588  4.7891 -0.3831  2.0432  17.726  7.2495 13.449  6.2598 4.277017       9.578176 
1 1 1 32 5  31 o 43.932  3.4891 20.811   2.1271  46.048  4.2985 41.815  5.4971 4.232533       6.978147 
1 1 1 32 5  33 o 48.980  3.5203 26.398   2.3906  53.125  4.3268 44.834  5.5542 8.291283       7.040588 
1 1 1 32 5  35 o 17.167  5.2002 1.7061   2.3225  18.131  7.2430 16.203  7.4637 1.928280       10.40042 
1 1 1 32 5  37 o 30.103  5.5270 12.508   2.3735  26.703  7.7035 33.503  7.9275 -6.800753      11.05393 
1 1 1 32 6  0  o 49.742  2.8434 25.029   2.8094  49.742  2.8434 ?       ?      0.000000       0.000000 
1 1 1 32 6  2  o 76.979  1.4988 59.403   1.6226  76.721  2.2471 77.237  1.9840 -0.5163574     2.997613 
1 1 1 32 6  4  f 108.715 1.6195 118.418  2.4885  107.136 2.2647 110.294 2.3156 -3.157799      3.238986 
1 1 1 32 6  6  o 95.261  1.6681 90.892   2.2056  95.668  2.6029 94.854  2.0868 0.8148346      3.336123 
1 1 1 32 6  8  o 62.406  1.9044 39.096   1.6208  62.540  2.2461 62.272  3.0760 0.2676582      3.808785 
1 1 1 32 6  10 o 152.487 1.6800 233.633  3.5937  154.898 2.1847 150.076 2.5527 4.822159       3.359969 
1 1 1 32 6  12 o 102.743 1.6527 105.697  2.3735  101.900 2.1304 103.587 2.5272 -1.686882      3.305399 
1 1 1 32 6  14 o 68.387  1.9710 46.397   1.7921  66.268  2.2161 70.506  3.2602 -4.237885      3.942034 
1 1 1 32 6  16 o 89.299  1.8123 80.254   2.2303  89.889  2.2020 88.708  2.8791 1.180550       3.624667 
1 1 1 32 6  18 o 141.697 1.6984 201.996  3.3540  142.617 2.1490 140.776 2.6307 1.841614       3.396832 
1 1 1 32 6  20 o 16.378  4.3522 0.9315   1.6125  20.215  6.4508 12.541  5.8442 7.674021       8.704483 
1 1 1 32 6  22 o 22.854  4.9477 5.5043   1.8318  25.831  6.4415 19.878  7.5117 5.953848       9.895341 
1 1 1 32 6  24 o 54.883  3.0326 31.218   2.3301  58.861  3.9052 50.906  4.6408 7.954868       6.065289 
1 1 1 32 6  26 o 41.426  3.3207 17.817   1.9344  38.804  4.6072 44.048  4.7835 -5.243767      6.641465 
1 1 1 32 6  28 o 15.580  4.8190 -0.2913  2.0352  13.716  6.2551 17.444  7.3323 -3.728505      9.637930 
1 1 1 32 6  30 o 15.043  4.8055 -1.4230  2.2275  16.026  6.9896 14.061  6.5968 1.965488       9.611053 
1 1 1 32 6  32 o 16.900  5.1553 1.0594   2.2626  17.454  7.3341 16.347  7.2470 1.107016       10.31058 
1 1 1 32 6  34 o 16.924  4.9858 2.1709   1.9794  16.924  7.0510 16.924  7.0510 0.000000       9.971560 
1 1 1 32 6  36 o 15.342  4.7937 0.7917   2.0511  15.175  6.9024 15.508  6.6541 -0.3328905     9.587455 
1 1 1 32 7  1  o 99.694  1.4945 99.553   2.1051  100.585 2.1583 98.804  2.0679 1.780571       2.989093 
1 1 1 32 7  3  o 86.231  1.4924 74.512   1.8192  86.197  2.0741 86.264  2.1465 -0.6768799E-01 2.984857 
1 1 1 32 7  5  o 69.870  1.6879 49.368   1.5775  71.501  1.8753 68.240  2.8070 3.261276       3.375835 
1 1 1 32 7  7  o 132.832 1.7188 177.189  3.1299  133.579 2.0554 132.086 2.7554 1.493164       3.437557 
1 1 1 32 7  9  o 111.261 1.7051 123.025  2.5386  108.767 1.9372 113.755 2.8065 -4.988251      3.410176 
1 1 1 32 7  11 o 70.877  1.6357 50.247   1.5975  70.228  2.0002 71.527  2.5888 -1.298965      3.271475 
1 1 1 32 7  13 o 74.775  1.9574 56.228   1.9933  75.002  2.2986 74.548  3.1691 0.4537659      3.914881 
1 1 1 32 7  15 o 27.122  4.0036 7.3279   1.3857  23.079  4.8563 31.166  6.3663 -8.086931      8.007133 
1 1 1 32 7  17 o 54.912  2.2126 30.414   1.6432  55.100  2.5494 54.724  3.6170 0.3763733      4.425165 
1 1 1 32 7  19 o 54.203  2.2952 29.615   1.7414  53.489  2.9843 54.918  3.4879 -1.429821      4.590398 
1 1 1 32 7  21 o 20.743  4.9190 4.2324   1.7513  22.569  6.4597 18.918  7.4202 3.650642       9.838081 
1 1 1 32 7  23 o 67.793  2.0980 46.518   2.0108  66.441  2.9791 69.146  2.9549 -2.704681      4.196060 
1 1 1 32 7  25 o 101.082 1.8893 103.591  2.6437  101.093 2.3369 101.071 2.9692 0.2188873E-01  3.778528 
1 1 1 32 7  27 o 55.851  2.6705 32.210   2.0993  55.450  3.5696 56.252  3.9728 -0.8019676     5.340904 
1 1 1 32 7  29 o 22.747  5.2651 5.6778   2.0629  17.791  7.1180 27.703  7.7601 -9.911427      10.53016 
1 1 1 32 7  31 o 29.113  4.7303 9.9671   1.9134  26.383  6.9291 31.843  6.4411 -5.460571      9.460502 
1 1 1 32 7  33 o 20.661  5.4741 4.8639   2.1690  21.108  7.6881 20.215  7.7947 0.8933334      10.94819 
1 1 1 32 7  35 o 14.984  4.8823 -1.1275  2.4112  15.186  6.8725 14.781  6.9366 0.4041986      9.764627 
1 1 1 32 8  0  o 80.263  5.2159 65.638   8.3006  80.263  5.2159 ?       ?      0.000000       0.000000 
1 1 1 32 8  2  o 81.770  1.6616 66.902   1.8964  82.608  2.5507 80.932  2.1301 1.675903       3.323186 
1 1 1 32 8  4  o 52.090  2.2544 27.168   1.5524  52.468  3.7725 51.712  2.4695 0.7562256      4.508860 
1 1 1 32 8  6  o 99.324  1.9848 99.205   2.7683  97.793  3.0034 100.855 2.5957 -3.062378      3.969620 
1 1 1 32 8  8  o 100.657 1.6607 101.493  2.3556  99.814  2.2389 101.499 2.4534 -1.684776      3.321425 
1 1 1 32 8  10 o 24.271  3.1868 6.8480   1.0056  31.697  2.8202 16.845  5.7158 14.85212       6.373662 
1 1 1 32 8  12 o 90.159  1.7284 81.556   2.1033  90.077  1.9848 90.241  2.8302 -0.1641006     3.456782 
1 1 1 32 8  14 o 85.175  1.8148 73.109   2.1540  86.486  2.2887 83.865  2.8170 2.621140       3.629529 
1 1 1 32 8  16 o 17.152  4.4879 1.9538   1.5554  19.395  6.1614 14.909  6.5269 4.485968       8.975728 
1 1 1 32 8  18 f 51.833  2.5715 28.222   1.7513  57.091  2.6841 46.575  4.3870 10.51653       5.142977 
1 1 1 32 8  20 o 74.010  2.0480 55.799   2.0761  76.553  2.4188 71.468  3.3056 5.084969       4.096087 
1 1 1 32 8  22 o 30.809  4.3052 10.437   1.7308  33.859  4.3372 27.759  7.4382 6.100302       8.610328 
1 1 1 32 8  24 o 19.450  5.0691 3.5140   1.8318  17.345  6.7119 21.555  7.5981 -4.209692      10.13812 
1 1 1 32 8  26 o 26.911  5.5486 8.4954   2.3854  31.198  6.5528 22.625  8.9559 8.573174       11.09718 
1 1 1 32 8  28 f 23.729  5.0218 6.3671   1.7520  22.008  6.3317 25.450  7.7965 -3.441366      10.04368 
1 1 1 32 8  30 o 24.716  5.1008 6.8673   2.1347  31.815  7.1925 17.618  7.2347 14.19703       10.20160 
1 1 1 32 8  32 o 60.298  2.7318 38.204   2.3196  58.457  3.7137 62.139  4.0074 -3.681690      5.463585 
1 1 1 32 8  34 f 25.741  5.1724 8.6837   2.0067  23.373  7.7392 28.109  6.8645 -4.736097      10.34486 
1 1 1 32 8  36 o 17.790  5.1410 3.3104   2.0707  19.655  7.6610 15.926  6.8578 3.728811       10.28200 
1 1 1 32 9  1  o 55.614  5.2176 31.114   4.0290  60.746  7.7782 50.481  6.9566 10.26423       10.43526 
1 1 1 32 9  3  o 75.570  3.5922 57.355   3.7629  77.902  5.5735 73.239  4.5334 4.662811       7.184398 
1 1 1 32 9  5  o 52.012  4.7020 29.256   2.5485  55.793  3.3188 48.231  8.7989 7.561626       9.403966 
1 1 1 32 9  7  o 71.597  2.2774 51.775   2.2123  70.428  3.7171 72.765  2.6325 -2.336472      4.554835 
1 1 1 32 9  9  o 72.961  2.5144 54.880   2.3086  69.568  4.4055 76.354  2.4251 -6.786278      5.028857 
1 1 1 32 9  11 o 88.437  1.6907 77.888   1.9646  86.924  1.8364 89.951  2.8394 -3.027153      3.381462 
1 1 1 32 9  13 o 48.099  2.1736 23.497   1.3792  49.158  2.3380 47.040  3.6649 2.118458       4.347149 
1 1 1 32 9  15 o 30.653  3.3786 9.7401   1.3786  31.376  3.8665 29.930  5.5416 1.445864       6.757205 
1 1 1 32 9  17 o 40.716  2.8866 16.739   1.6380  39.535  3.7145 41.897  4.4196 -2.361076      5.773279 
1 1 1 32 9  19 o 53.792  2.5203 29.218   1.8964  52.445  3.2872 55.140  3.8213 -2.695301      5.040634 
1 1 1 32 9  21 o 50.588  2.6303 25.804   1.8571  48.107  3.4509 53.068  3.9705 -4.961143      5.260530 
1 1 1 32 9  23 f 31.073  4.5733 10.622   1.9218  29.041  6.1271 33.106  6.7911 -4.064814      9.146619 
1 1 1 32 9  25 o 32.353  4.0359 11.512   1.7274  34.666  4.4205 30.039  6.7538 4.627323       8.071813 
1 1 1 32 9  27 o 40.880  3.5336 17.661   2.0412  39.938  4.9560 41.821  5.0382 -1.882923      7.067263 
1 1 1 32 9  29 o 43.195  4.0718 20.647   2.3994  45.969  4.7225 40.421  6.6344 5.548134       8.143581 
1 1 1 32 9  31 o 21.572  5.6351 5.2051   2.2067  21.407  8.8371 21.737  6.9946 -0.3298969     11.27026 
1 1 1 32 9  33 o 22.498  5.3104 6.2962   2.1654  26.192  7.1254 18.804  7.8760 7.388153       10.62086 
1 1 1 32 9  35 o 17.536  5.0986 2.3653   2.1156  21.537  8.0922 13.534  6.2046 8.002147       10.19711 
1 1 1 32 10 0  o 105.050 4.7619 111.611  9.9607  105.050 4.7619 ?       ?      0.000000       0.000000 
1 1 1 32 10 2  o 29.627  7.3492 7.7530   3.9904  34.224  10.639 25.030  10.142 9.193491       14.69833 
1 1 1 32 10 4  o 21.876  6.4953 -0.3697  3.6294  18.770  8.6727 24.982  9.6717 -6.211226      12.99068 
1 1 1 32 10 6  o 33.790  4.8740 10.184   1.3427  29.839  2.7818 37.742  9.3427 -7.902843      9.748077 
1 1 1 32 10 8  o 50.956  4.0896 23.503   1.9736  45.378  2.8142 56.535  7.6799 -11.15758      8.179237 
1 1 1 32 10 10 o 40.682  4.9292 16.227   2.0557  38.141  3.6829 43.222  9.1446 -5.080902      9.858351 
1 1 1 32 10 12 o 22.831  4.0540 5.5223   1.3019  21.931  5.5295 23.731  5.9299 -1.800705      8.107918 
1 1 1 32 10 14 o 58.086  2.0619 34.018   1.5987  58.378  2.2968 57.793  3.4249 0.5854836      4.123794 
1 1 1 32 10 16 o 67.724  2.0352 46.377   1.8623  68.469  2.3314 66.978  3.3366 1.491013       4.070363 
1 1 1 32 10 18 o 56.903  2.3349 32.226   1.8398  52.857  3.0200 60.948  3.5619 -8.091820      4.669830 
1 1 1 32 10 20 o 29.511  4.5464 9.2693   1.7966  26.840  5.8708 32.182  6.9434 -5.341896      9.092715 
1 1 1 32 10 22 o 34.566  4.0518 12.732   1.8964  28.428  6.2346 40.704  5.1766 -12.27587      8.103519 
1 1 1 32 10 24 o 62.045  2.7795 39.781   2.3225  62.683  3.1577 61.407  4.5751 1.276623       5.559035 
1 1 1 32 10 26 o 27.874  5.1814 8.8114   1.9921  25.757  6.4527 29.990  8.1088 -4.233047      10.36290 
1 1 1 32 10 28 o 14.046  4.3970 -0.3713  1.7145  15.196  6.5891 12.896  5.8238 2.299631       8.793944 
1 1 1 32 10 30 o 20.033  5.4738 4.1197   2.1987  19.045  7.5154 21.021  7.9604 -1.975420      10.94752 
1 1 1 32 10 32 o 15.724  4.9126 -0.0252  1.9832  11.653  5.4593 19.794  8.1690 -8.140772      9.825295 
1 1 1 32 10 34 o 14.847  4.7541 -0.5033  2.1634  16.717  7.2955 12.976  6.0976 3.740496       9.508199 
1 1 1 32 11 1  o 96.048  4.3278 93.965   5.8569  96.777  6.3997 95.318  5.8279 1.459412       8.655665 
1 1 1 32 11 3  o 66.760  4.6032 45.481   4.2245  67.124  7.3245 66.397  5.5775 0.7266922      9.206373 
1 1 1 32 11 5  o 80.271  4.3630 65.736   4.9383  85.003  6.0844 75.539  6.2550 9.464531       8.726074 
1 1 1 32 11 7  o 51.801  3.6442 24.221   1.6241  46.657  2.1896 56.946  6.9517 -10.28973      7.288379 
1 1 1 32 11 9  o 84.592  3.1799 70.081   2.9835  81.211  2.5946 87.972  5.8064 -6.761795      6.359729 
1 1 1 32 11 11 o 123.723 2.3467 153.962  3.7452  123.366 2.4326 124.080 4.0138 -0.7141113     4.693418 
1 1 1 32 11 13 o 63.767  3.0672 39.652   1.8428  61.590  1.9697 65.944  5.8095 -4.353527      6.134373 
1 1 1 32 11 15 o 32.377  5.2889 8.8987   1.6131  25.574  3.9947 39.181  9.7944 -13.60614      10.57772 
1 1 1 32 11 17 o 23.057  6.1032 4.0157   1.8709  16.601  5.8545 29.514  10.711 -12.91249      12.20636 
1 1 1 32 11 19 o 34.385  5.0582 15.159   1.7159  42.084  2.7310 26.686  9.7408 15.39815       10.11640 
1 1 1 32 11 21 o 24.576  5.6334 5.8958   1.7770  20.538  5.7060 28.615  9.7150 -8.077196      11.26672 
1 1 1 32 11 23 o 46.040  3.9454 23.138   2.2407  49.247  3.6303 42.834  7.0060 6.412781       7.890747 
1 1 1 32 11 25 o 47.321  4.4629 25.767   2.2843  52.342  3.2936 42.300  8.2960 10.04269       8.925877 
1 1 1 32 11 27 o 65.287  3.7856 44.868   2.8770  64.108  3.2867 66.466  6.8206 -2.357933      7.571202 
1 1 1 32 11 29 o 70.241  2.6966 52.791   2.5666  77.230  3.0590 63.252  4.4416 13.97814       5.393114 
1 1 1 32 11 31 o 47.159  3.7351 24.393   2.4640  45.695  4.8906 48.622  5.6467 -2.927135      7.470182 
1 1 1 32 11 33 o 17.423  5.1985 2.5096   2.1802  17.218  7.1041 17.627  7.5916 -0.4094601     10.39710 
1 1 1 32 12 0  f 53.813  9.1331 31.670   9.0668  53.813  9.1331 ?       ?      0.000000       0.000000 
1 1 1 32 12 2  o 136.479 3.0434 188.450  5.8735  135.280 4.2951 137.677 4.3130 -2.397614      6.086889 
1 1 1 32 12 4  o 103.115 3.3063 107.852  4.8154  102.360 4.5536 103.869 4.7948 -1.508949      6.612517 
1 1 1 32 12 6  o 83.807  4.1737 71.877   4.9383  81.122  5.8245 86.492  5.9796 -5.370369      8.347462 
1 1 1 32 12 8  o 39.510  4.9090 17.929   1.5762  43.678  2.3389 35.342  9.5353 8.336510       9.817950 
1 1 1 32 12 10 o 21.659  5.1540 3.9587   1.8446  23.510  5.5202 19.809  8.7054 3.700659       10.30809 
1 1 1 32 12 12 o 75.526  3.0871 58.216   2.6338  76.353  2.5088 74.700  5.6414 1.652855       6.174114 
1 1 1 32 12 14 o 98.972  2.5657 98.502   2.5352  98.691  1.7468 99.252  4.8249 -0.5604324     5.131359 
1 1 1 32 12 16 o 96.227  2.5194 93.997   2.7315  96.784  2.0451 95.671  4.6050 1.112816       5.038749 
1 1 1 32 12 18 o 47.776  4.2991 22.603   2.0113  45.793  2.9281 49.759  8.0842 -3.965893      8.598140 
1 1 1 32 12 20 o 28.367  5.3116 8.8166   1.7318  29.945  3.8381 26.789  9.9056 3.155333       10.62315 
1 1 1 32 12 22 o 25.680  6.4344 6.3531   2.2028  20.287  6.4485 31.073  11.137 -10.78612      12.86880 
1 1 1 32 12 24 o 27.998  5.2373 9.0560   2.0288  30.461  5.0308 25.535  9.1873 4.925737       10.47453 
1 1 1 32 12 26 f 70.719  3.0427 53.070   2.5397  72.778  2.6320 68.660  5.4867 4.117523       6.085310 
1 1 1 32 12 28 o 56.372  3.9839 34.865   2.5818  58.186  3.2920 54.558  7.2560 3.628574       7.967899 
1 1 1 32 12 30 o 49.545  5.1789 27.653   2.7787  48.177  4.1085 50.914  9.5080 -2.736855      10.35772 
1 1 1 32 12 32 o 37.653  4.9606 17.403   2.4053  38.389  5.1560 36.916  8.4763 1.473244       9.921291 
1 1 1 32 12 34 o 17.735  5.4144 1.9333   2.6728  19.710  7.8268 15.759  7.4837 3.951339       10.82884 
1 1 1 32 13 1  o 109.839 3.5464 121.756  5.3657  113.399 5.5743 106.278 4.3857 7.121231       7.092765 
1 1 1 32 13 3  o 95.649  3.4964 93.007   4.7034  94.597  4.6573 96.700  5.2163 -2.102997      6.992875 
1 1 1 32 13 5  o 74.015  4.5105 56.143   4.4176  74.505  7.5416 73.524  4.9500 0.9809189      9.020976 
1 1 1 32 13 7  o 49.737  5.4580 26.389   3.6689  56.695  6.6447 42.779  8.6608 13.91518       10.91608 
1 1 1 32 13 9  o 73.027  2.8635 52.868   2.2095  71.516  2.1427 74.537  5.3111 -3.021027      5.727034 
1 1 1 32 13 11 o 14.444  4.5855 -2.4044  1.9265  14.530  5.9881 14.357  6.9461 0.1726122      9.170929 
1 1 1 32 13 13 o 20.433  5.9654 2.1922   2.1865  17.562  6.4162 23.304  10.059 -5.741476      11.93089 
1 1 1 32 13 15 o 40.819  4.5675 17.351   1.6511  41.045  2.6446 40.593  8.7437 0.4512138      9.134927 
1 1 1 32 13 17 o 19.787  5.8971 1.8693   1.8585  16.392  5.7063 23.182  10.322 -6.789976      11.79414 
1 1 1 32 13 19 o 37.818  4.7440 16.977   1.8535  43.255  3.0999 32.380  8.9672 10.87510       9.487923 
1 1 1 32 13 21 o 41.463  4.5686 18.727   2.1424  42.428  3.7623 40.497  8.3266 1.931351       9.137100 
1 1 1 32 13 23 o 38.355  5.8817 17.389   2.4019  41.041  4.0450 35.669  11.046 5.371956       11.76336 
1 1 1 32 13 25 o 29.020  5.6733 9.9275   2.1991  28.482  6.0151 29.558  9.6211 -1.076445      11.34666 
1 1 1 32 13 27 o 51.871  3.4143 28.660   2.3650  51.878  3.8154 51.864  5.6631 0.1418304E-01  6.828523 
1 1 1 32 13 29 o 19.459  5.3631 2.9808   2.3439  21.842  7.2550 17.076  7.9003 4.765570       10.72616 
1 1 1 32 13 31 o 20.335  6.0528 4.1990   2.7917  19.837  7.5072 20.832  9.4968 -0.9948368     12.10567 
1 1 1 32 13 33 o 17.647  5.6850 1.7452   2.7243  15.191  6.7365 20.103  9.1595 -4.911757      11.37004 
1 1 1 32 14 0  o 186.177 3.8792 349.007  14.430  186.177 3.8792 ?       ?      0.000000       0.000000 
1 1 1 32 14 2  o 144.447 3.5208 212.392  7.1762  136.993 5.0803 151.900 4.8760 -14.90706      7.041651 
1 1 1 32 14 4  o 26.080  7.1013 5.1860   3.7628  24.212  9.9735 27.947  10.111 -3.734833      14.20253 
1 1 1 32 14 6  o 76.907  4.8717 61.356   5.2927  79.166  6.9362 74.649  6.8428 4.517365       9.743442 
1 1 1 32 14 8  o 119.764 3.0382 145.453  5.1065  121.578 4.5691 117.950 4.0059 3.627945       6.076490 
1 1 1 32 14 10 o 87.647  2.8793 73.956   2.6902  82.610  2.2415 92.685  5.3045 -10.07490      5.758652 
1 1 1 32 14 12 o 47.079  3.7849 22.052   2.0970  45.064  3.4005 49.093  6.7631 -4.029148      7.569861 
1 1 1 32 14 14 o 31.743  5.7465 11.678   2.3343  37.066  4.3066 26.421  10.656 10.64413       11.49307 
1 1 1 32 14 16 f 77.324  2.8502 58.762   2.3819  74.288  2.2347 80.361  5.2440 -6.072578      5.700315 
1 1 1 32 14 18 o 27.310  6.3887 7.3441   2.0328  24.695  5.3230 29.924  11.616 -5.229271      12.77749 
1 1 1 32 14 20 o 41.624  4.8324 19.998   1.9308  45.503  2.9467 37.746  9.2045 7.757195       9.664711 
1 1 1 32 14 22 o 20.909  5.9437 3.5787   2.1329  17.299  6.4038 24.518  10.015 -7.218576      11.88749 
1 1 1 32 14 24 o 28.665  6.1516 9.5044   2.2957  27.253  6.0182 30.076  10.731 -2.822962      12.30323 
1 1 1 32 14 26 o 25.015  5.8256 7.2211   2.2407  20.953  7.1288 29.077  9.2157 -8.123709      11.65111 
1 1 1 32 14 28 o 17.636  5.3162 1.8700   2.2566  16.461  6.9017 18.811  8.0880 -2.350643      10.63248 
1 1 1 32 14 30 o 17.111  5.2703 1.6803   2.2583  16.076  6.6996 18.145  8.1376 -2.069643      10.54062 
1 1 1 32 14 32 o 22.099  5.6517 6.5518   2.1213  20.634  6.8695 23.564  8.9764 -2.930782      11.30334 
1 1 1 32 15 1  o 86.540  4.2840 77.312   5.2326  87.860  5.8138 85.219  6.2937 2.640968       8.568014 
1 1 1 32 15 3  o 67.417  5.5140 47.118   5.1467  71.889  8.4378 62.945  7.1007 8.943832       11.02795 
1 1 1 32 15 5  o 68.032  4.3962 47.942   4.2103  63.225  6.4634 72.840  5.9607 -9.615818      8.792355 
1 1 1 32 15 7  o 84.619  4.2055 74.918   4.8336  80.677  6.8855 88.561  4.8305 -7.884155      8.410943 
1 1 1 32 15 9  o 68.853  5.1057 49.464   4.9140  72.965  7.6132 64.740  6.8052 8.224533       10.21136 
1 1 1 32 15 11 o 24.772  6.1291 5.4592   2.0113  20.271  6.1108 29.272  10.626 -9.000181      12.25815 
1 1 1 32 15 13 o 57.582  3.9872 33.413   2.4680  56.172  3.0691 58.991  7.3601 -2.819405      7.974352 
1 1 1 32 15 15 o 111.508 2.8023 125.886  3.8425  110.404 2.6603 112.611 4.9329 -2.206429      5.604548 
1 1 1 32 15 17 o 82.014  3.1090 70.276   2.4570  83.869  1.9794 80.159  5.8945 3.710548       6.217944 
1 1 1 32 15 19 o 50.641  6.0245 32.090   2.5134  58.234  2.8508 43.049  11.707 15.18473       12.04895 
1 1 1 32 15 21 o 46.030  4.3292 23.490   2.1096  48.430  3.1642 43.629  8.0594 4.800758       8.658304 
1 1 1 32 15 23 o 20.403  5.4276 3.0468   2.3527  22.953  6.9310 17.852  8.3545 5.101780       10.85523 
1 1 1 32 15 25 o 26.371  5.8911 8.1442   2.3781  29.205  5.6679 23.537  10.329 5.668476       11.78221 
1 1 1 32 15 27 o 43.869  4.4132 20.815   2.3837  41.227  4.3365 46.511  7.6878 -5.283237      8.826479 
1 1 1 32 15 29 o 29.597  5.9009 11.351   2.4121  26.617  7.0738 32.577  9.4467 -5.960226      11.80171 
1 1 1 32 15 31 o 16.283  5.1006 1.0478   2.3091  14.425  6.5739 18.141  7.8004 -3.715947      10.20113 
1 1 1 32 16 0  o 151.252 4.3136 231.394  13.025  151.252 4.3136 ?       ?      0.000000       0.000000 
1 1 1 32 16 2  o 114.485 3.2732 133.818  5.2988  114.903 4.6678 114.068 4.5900 0.8342743      6.546496 
1 1 1 32 16 4  o 31.887  8.1158 10.612   4.6441  32.188  11.997 31.586  10.933 0.6025143      16.23169 
1 1 1 32 16 6  o 41.271  7.7311 19.892   4.5893  40.224  11.389 42.319  10.458 -2.094471      15.46222 
1 1 1 32 16 8  o 29.362  7.6320 8.6624   4.1899  28.384  11.069 30.341  10.510 -1.956194      15.26401 
1 1 1 32 16 10 o 79.353  4.4689 66.066   5.0121  81.219  6.2106 77.486  6.4274 3.732353       8.937727 
1 1 1 32 16 12 o 66.934  3.0546 45.403   2.6005  65.967  3.0973 67.901  5.2659 -1.933975      6.109298 
1 1 1 32 16 14 o 74.442  3.4607 57.926   3.0505  76.085  3.0211 72.800  6.2272 3.285446       6.921363 
1 1 1 32 16 16 o 73.445  3.2877 55.872   2.9359  73.517  3.0398 73.372  5.8305 0.1455917      6.575369 
1 1 1 32 16 18 o 80.038  2.8357 65.053   2.3250  79.407  2.0102 80.669  5.3031 -1.262512      5.671329 
1 1 1 32 16 20 o 45.282  5.1840 24.008   2.2194  49.481  3.0970 41.083  9.8947 8.397877       10.36804 
1 1 1 32 16 22 o 33.730  5.0603 14.876   2.1692  42.403  3.9151 25.057  9.3327 17.34555       10.12068 
1 1 1 32 16 24 o 32.450  5.6982 13.396   2.3503  37.400  4.4388 27.501  10.496 9.899223       11.39641 
1 1 1 32 16 26 o 32.486  5.6254 13.697   2.4115  37.325  4.7899 27.646  10.180 9.678238       11.25082 
1 1 1 32 16 28 o 30.903  5.4776 12.953   2.5586  37.481  5.6216 24.324  9.4029 13.15723       10.95523 
1 1 1 32 16 30 o 17.182  5.2113 0.6595   2.5781  19.580  7.5648 14.783  7.1697 4.796730       10.42259 
1 1 1 32 17 1  o 112.723 3.4030 129.915  5.4002  116.254 4.9980 109.191 4.6196 7.063072       6.805921 
1 1 1 32 17 3  o 39.032  7.0803 17.653   3.9904  43.491  9.3701 34.574  10.617 8.917046       14.16057 
1 1 1 32 17 5  o 62.838  4.5995 41.807   3.9861  60.007  7.3420 65.669  5.5421 -5.662331      9.198915 
1 1 1 32 17 7  o 75.167  4.7389 59.679   4.9779  74.484  7.2865 75.849  6.0610 -1.364700      9.477792 
1 1 1 32 17 9  o 88.920  3.6115 81.801   4.5298  87.400  5.3330 90.439  4.8714 -3.039291      7.223024 
1 1 1 32 17 11 o 36.596  5.7233 14.928   1.8903  38.542  3.1476 34.650  11.005 3.892586       11.44653 
1 1 1 32 17 13 o 28.390  5.2996 9.2895   2.3654  35.124  4.9082 21.655  9.3942 13.46954       10.59913 
1 1 1 32 17 15 o 39.811  5.6135 17.771   2.5952  40.466  4.7336 39.155  10.180 1.311134       11.22697 
1 1 1 32 17 17 o 50.272  4.9942 29.061   2.8733  54.809  4.0774 45.736  9.1183 9.072403       9.988418 
1 1 1 32 17 19 o 23.716  5.4556 5.9631   2.0271  25.619  5.6357 21.814  9.3432 3.804754       10.91129 
1 1 1 32 17 21 o 23.197  5.3905 5.7986   2.2072  26.489  6.1407 19.904  8.8612 6.585823       10.78095 
1 1 1 32 17 23 o 24.915  5.4937 7.1380   2.3779  29.323  6.0830 20.507  9.1499 8.815985       10.98742 
1 1 1 32 17 25 o 21.516  5.8881 5.0697   2.3242  19.291  7.0763 23.741  9.4131 -4.449291      11.77626 
1 1 1 32 17 27 o 19.203  5.6546 3.3864   2.4802  18.952  7.3299 19.455  8.6123 -0.5027962     11.30926 
1 1 1 32 17 29 o 29.648  5.3671 12.072   2.3384  34.308  5.5833 24.989  9.1678 9.319517       10.73415 
1 1 1 32 18 0  o 29.303  12.839 13.281   7.7898  29.303  12.839 ?       ?      0.000000       0.000000 
1 1 1 32 18 2  o 65.506  5.5855 46.238   5.1593  64.931  7.5718 66.080  8.2132 -1.148895      11.17092 
1 1 1 32 18 4  o 69.663  5.0031 51.239   4.6636  70.325  8.2622 69.002  5.6446 1.322609       10.00629 
1 1 1 32 18 6  o 55.986  6.1783 35.226   4.6532  50.245  10.013 61.727  7.2408 -11.48227      12.35669 
1 1 1 32 18 8  o 52.161  6.4585 30.818   4.6532  48.533  9.5495 55.789  8.6981 -7.256588      12.91708 
1 1 1 32 18 10 o 61.867  5.5576 42.624   4.8493  60.601  8.2182 63.134  7.4840 -2.532558      11.11529 
1 1 1 32 18 12 o 62.373  3.8448 39.074   2.6400  59.331  3.1209 65.414  7.0279 -6.082981      7.689668 
1 1 1 32 18 14 o 43.003  4.8309 20.262   2.3837  43.737  4.0876 42.269  8.7544 1.467583       9.661707 
1 1 1 32 18 16 o 62.992  3.2490 41.018   2.7583  60.670  3.7887 65.313  5.2791 -4.642776      6.497913 
1 1 1 32 18 18 o 51.417  3.8203 28.641   2.0710  53.597  2.7400 49.237  7.1324 4.360062       7.640613 
1 1 1 32 18 20 o 51.305  3.2514 28.067   2.0523  52.669  3.0307 49.940  5.7534 2.728939       6.502870 
1 1 1 32 18 22 o 26.519  5.1635 8.5007   2.0242  30.674  4.7877 22.364  9.1501 8.309252       10.32701 
1 1 1 32 18 24 f 15.604  5.2327 -1.9632  2.4249  12.716  5.8530 18.492  8.6757 -5.775929      10.46549 
1 1 1 32 18 26 o 24.806  6.1368 8.0936   2.3779  23.651  6.8784 25.961  10.165 -2.309916      12.27363 
1 1 1 32 18 28 o 39.834  5.7816 21.789   2.8041  44.893  4.8357 34.775  10.503 10.11858       11.56311 
1 1 1 32 19 1  o 35.519  8.0722 15.154   4.5086  32.550  10.608 38.487  12.170 -5.936611      16.14433 
1 1 1 32 19 3  o 80.140  3.8053 67.430   4.2627  83.061  4.8429 77.218  5.8709 5.842628       7.610565 
1 1 1 32 19 5  o 71.246  4.8935 54.265   4.7091  73.024  7.9569 69.469  5.6985 3.554253       9.786988 
1 1 1 32 19 7  o 73.203  5.1148 58.475   5.2373  76.507  7.6780 69.898  6.7597 6.609154       10.22965 
1 1 1 32 19 9  o 96.060  3.7746 97.533   5.0793  95.422  5.7546 96.698  4.8863 -1.275955      7.549250 
1 1 1 32 19 11 o 73.543  3.5406 49.153   2.5495  63.684  2.6068 83.402  6.5839 -19.71856      7.081215 
1 1 1 32 19 13 o 43.555  4.7200 20.790   2.2675  44.362  3.7422 42.748  8.6666 1.614132       9.440041 
1 1 1 32 19 15 o 36.008  5.3687 15.083   2.3936  38.454  4.8153 33.562  9.5972 4.891582       10.73747 
1 1 1 32 19 17 o 36.708  6.0435 18.091   2.9022  45.272  4.6542 28.145  11.155 17.12681       12.08708 
1 1 1 32 19 19 o 49.428  3.6294 25.183   1.9853  47.889  2.9332 50.967  6.6398 -3.077259      7.258823 
1 1 1 32 19 21 o 40.004  4.9430 18.373   2.2412  41.050  4.0441 38.957  9.0211 2.093517       9.886058 
1 1 1 32 19 23 o 25.624  4.8755 7.7524   2.2675  33.154  5.0072 18.094  8.3673 15.06048       9.751063 
1 1 1 32 19 25 o 16.337  5.3765 -0.4221  2.5218  14.321  6.3322 18.354  8.6909 -4.033060      10.75303 
1 1 1 32 19 27 o 18.451  5.5279 1.7246   2.8200  20.681  7.7599 16.221  7.8748 4.459715       11.05571 
1 1 1 32 20 0  o 91.354  7.5795 89.774   13.664  91.354  7.5795 ?       ?      0.000000       0.000000 
1 1 1 32 20 2  o 71.686  5.3041 56.754   5.2120  72.336  8.4738 71.035  6.3819 1.301498       10.60821 
1 1 1 32 20 4  o 31.402  8.0459 11.961   4.7541  33.988  10.752 28.815  11.972 5.173588       16.09178 
1 1 1 32 20 6  o 27.236  7.3615 7.3240   4.2066  30.170  10.082 24.301  10.730 5.869324       14.72291 
1 1 1 32 20 8  o 31.683  7.5271 12.629   4.0185  29.959  10.802 33.407  10.486 -3.447811      15.05413 
1 1 1 32 20 10 o 31.337  8.6693 12.652   5.5721  33.091  12.668 29.583  11.838 3.508247       17.33852 
1 1 1 32 20 12 o 32.269  5.5252 10.160   1.9778  24.451  5.6014 40.087  9.5254 -15.63623      11.05030 
1 1 1 32 20 14 o 44.030  4.7504 21.323   2.4946  44.206  4.3332 43.854  8.4552 0.3517570      9.500885 
1 1 1 32 20 16 o 54.909  5.5693 34.672   3.0908  56.639  3.8329 53.178  10.458 3.460911       11.13863 
1 1 1 32 20 18 o 78.343  3.8390 64.451   3.4992  76.293  3.3476 80.393  6.9098 -4.099953      7.678006 
1 1 1 32 20 20 o 79.288  2.7897 67.973   2.4966  83.796  2.2097 74.779  5.1231 9.017105       5.579359 
1 1 1 32 20 22 o 42.020  4.6195 21.301   2.2067  47.185  3.6537 36.855  8.4858 10.32922       9.238915 
1 1 1 32 20 24 o 15.679  5.2251 -1.7469  2.5745  14.287  6.3228 17.071  8.3204 -2.784308      10.45022 
1 1 1 32 20 26 f 16.788  5.6601 -0.4695  2.8410  12.962  6.0928 20.615  9.5408 -7.652966      11.32028 
1 1 1 32 21 1  o 44.318  7.3028 24.739   4.4994  42.665  10.768 45.971  9.8680 -3.305775      14.60562 
1 1 1 32 21 3  o 38.394  8.5923 20.364   5.2625  36.650  12.950 40.138  11.297 -3.487862      17.18452 
1 1 1 32 21 5  o 32.368  8.1100 13.802   4.6754  31.156  11.741 33.580  11.191 -2.424004      16.21992 
1 1 1 32 21 7  o 45.519  6.1857 24.738   3.8938  43.091  9.4452 47.948  7.9900 -4.857433      12.37137 
1 1 1 32 21 9  o 56.999  5.7747 37.612   4.4831  49.352  8.8607 64.645  7.4078 -15.29327      11.54934 
1 1 1 32 21 11 o 40.494  7.3646 21.196   4.2055  39.112  9.8048 41.876  10.992 -2.763695      14.72915 
1 1 1 32 21 13 o 26.622  5.6370 8.4676   2.4249  31.111  5.7580 22.133  9.6928 8.977274       11.27407 
1 1 1 32 21 15 o 26.703  6.4452 8.4162   2.7468  27.769  6.9160 25.637  10.878 2.132141       12.89035 
1 1 1 32 21 17 o 68.278  4.0671 51.084   3.0852  69.983  3.1933 66.572  7.4811 3.411407       8.134159 
1 1 1 32 21 19 o 74.567  2.7252 57.894   2.2925  74.726  2.2216 74.408  4.9771 0.3186340      5.450385 
1 1 1 32 21 21 f 67.093  3.1095 48.101   2.4689  67.937  2.7256 66.249  5.5900 1.687798       6.219094 
1 1 1 32 21 23 o 47.033  4.1373 25.500   2.2843  48.850  3.5291 45.216  7.4842 3.633617       8.274536 
1 1 1 32 21 25 o 26.585  6.5953 10.084   2.4980  23.092  6.9226 30.079  11.228 -6.986248      13.19050 
1 1 1 32 22 0  o 61.270  7.9031 40.864   9.7053  61.270  7.9031 ?       ?      0.000000       0.000000 
1 1 1 32 22 2  o 50.498  7.0411 31.626   4.7107  52.575  7.6511 48.422  11.822 4.152843       14.08213 
1 1 1 32 22 4  f 26.965  7.8531 7.4067   4.7989  27.419  11.525 26.510  10.670 0.9098206      15.70627 
1 1 1 32 22 6  o 34.648  8.0516 16.185   4.5151  35.766  11.974 33.531  10.767 2.235321       16.10311 
1 1 1 32 22 8  o 40.794  7.4551 22.190   4.3213  42.840  9.3503 38.748  11.614 4.092102       14.91018 
1 1 1 32 22 10 o 30.592  8.0550 13.364   4.7111  29.150  11.538 32.034  11.243 -2.884192      16.11001 
1 1 1 32 22 12 o 22.399  5.7586 5.1329   1.8906  19.920  5.9553 24.877  9.8580 -4.957701      11.51717 
1 1 1 32 22 14 o 30.860  6.4995 11.618   2.5844  30.039  6.1637 31.682  11.445 -1.643641      12.99906 
1 1 1 32 22 16 o 67.918  4.3328 50.193   3.2920  67.340  3.5083 68.495  7.9237 -1.154533      8.665571 
1 1 1 32 22 18 o 51.239  5.3698 33.185   2.9359  59.109  3.7808 43.370  10.052 15.73947       10.73954 
1 1 1 32 22 20 f 44.076  4.9243 25.079   2.1218  51.636  2.9677 36.516  9.3908 15.11904       9.848600 
1 1 1 32 22 22 o 17.101  5.3542 1.6568   2.2921  14.466  6.3725 19.737  8.6058 -5.270840      10.70834 
1 1 1 32 22 24 o 16.475  5.3764 0.4974   2.5728  15.136  6.5765 17.813  8.5071 -2.677273      10.75272 
1 1 1 32 23 1  o 38.664  7.9478 21.135   4.6611  42.115  10.962 35.213  11.511 6.901901       15.89564 
1 1 1 32 23 3  o 32.198  8.5532 15.222   5.2992  35.693  12.726 28.703  11.431 6.990419       17.10635 
1 1 1 32 23 5  o 31.263  8.0653 13.643   4.9482  36.728  11.811 25.797  10.986 10.93084       16.13051 
1 1 1 32 23 7  o 31.286  7.6236 12.615   4.5109  39.582  11.549 22.990  9.9542 16.59188       15.24713 
1 1 1 32 23 9  o 21.821  6.9413 1.1430   4.5012  21.284  9.6659 22.357  9.9649 -1.073141      13.88268 
1 1 1 32 23 11 o 39.220  4.9589 16.422   1.6073  38.566  2.6490 39.875  9.5575 -1.309723      9.917820 
1 1 1 32 23 13 o 33.871  6.0034 12.680   2.3155  28.125  5.8676 39.618  10.475 -11.49245      12.00683 
1 1 1 32 23 15 o 20.835  6.2573 3.5640   2.7862  19.413  7.2882 22.257  10.173 -2.844103      12.51461 
1 1 1 32 23 17 o 20.540  5.9436 4.2400   2.6172  19.905  7.5147 21.174  9.2104 -1.269197      11.88712 
1 1 1 32 23 19 o 19.811  4.8859 4.2367   1.8535  22.550  5.8845 17.073  7.8013 5.476740       9.771731 
1 1 1 32 23 21 o 26.014  6.1665 8.7931   2.1892  21.019  6.5731 31.009  10.436 -9.989645      12.33310 
1 1 1 32 24 0  o 127.331 5.3863 169.714  13.664  127.331 5.3863 ?       ?      0.000000       0.000000 
1 1 1 32 24 2  o 92.802  4.2072 94.808   5.5140  90.504  5.8557 95.101  6.0426 -4.597557      8.414342 
1 1 1 32 24 4  o 28.521  7.5794 10.982   4.1503  28.162  10.687 28.880  10.750 -0.7180576     15.15871 
1 1 1 32 24 6  o 21.924  6.8186 2.4809   4.1527  21.126  9.6314 22.723  9.6544 -1.597080      13.63711 
1 1 1 32 24 8  o 23.981  7.2622 4.6735   4.5963  20.674  9.5577 27.288  10.936 -6.613321      14.52437 
1 1 1 32 24 10 o 23.396  7.2757 4.5394   4.7034  22.568  10.254 24.224  10.324 -1.655983      14.55140 
1 1 1 32 24 12 o 45.615  5.4461 23.684   2.3697  45.586  3.5016 45.644  10.314 -0.5801010E-01 10.89212 
1 1 1 32 24 14 f 25.344  6.3755 8.3253   2.6803  24.449  7.5788 26.238  10.254 -1.789082      12.75109 
1 1 1 32 24 16 o 18.674  5.7842 2.7229   2.4469  16.483  6.6868 20.864  9.4401 -4.381063      11.56846 
1 1 1 32 24 18 o 26.928  6.4833 10.855   2.9359  28.481  7.6732 25.376  10.453 3.105564       12.96661 
1 1 1 32 24 20 o 16.457  5.2395 1.2972   2.1424  12.855  5.8135 20.059  8.7185 -7.204026      10.47898 
1 1 1 32 25 1  o 32.133  8.0775 15.878   5.0036  27.291  11.682 36.975  11.159 -9.684317      16.15492 
1 1 1 32 25 3  o 15.951  5.5640 -13.8881 4.5347  15.863  7.9751 16.039  7.7610 -0.1760311     11.12808 
1 1 1 32 25 5  o 21.631  6.9837 1.2719   4.7879  21.901  9.9795 21.361  9.7724 0.5401897      13.96743 
1 1 1 32 25 7  o 24.499  7.3069 5.9965   4.5190  29.117  11.372 19.881  9.1779 9.236372       14.61377 
1 1 1 32 25 9  o 21.582  6.8843 2.4409   4.4549  21.401  9.5712 21.763  9.8979 -0.3617077     13.76867 
1 1 1 32 25 11 o 27.910  5.9923 9.4900   2.0490  27.586  5.0487 28.234  10.869 -0.6488457     11.98461 
1 1 1 32 25 13 o 19.804  5.3473 4.0439   2.2135  21.636  6.8540 17.972  8.2095 3.664047       10.69454 
1 1 1 32 25 15 o 21.067  6.0517 5.3890   2.5952  19.545  7.3912 22.589  9.5845 -3.043476      12.10345 
1 1 1 32 25 17 o 18.849  5.6871 3.3813   2.5818  18.698  7.2151 19.000  8.7930 -0.3019123     11.37427 
1 1 1 32 26 0  o 16.809  11.088 2.6817   9.1945  16.809  11.088 ?       ?      0.000000       0.000000 
1 1 1 32 26 2  o 22.528  6.8114 2.8708   4.1761  17.256  8.2580 27.799  10.834 -10.54228      13.62275 
1 1 1 32 26 4  o 25.119  7.5211 7.4594   4.8741  27.610  10.819 22.627  10.450 4.982767       15.04228 
1 1 1 32 26 6  o 26.182  8.0409 9.9959   5.5484  27.711  11.800 24.654  10.926 3.056793       16.08176 
1 1 1 32 26 8  o 29.678  7.6522 14.777   4.6530  25.406  11.557 33.950  10.033 -8.544508      15.30447 
1 1 1 32 26 10 o 25.498  7.5327 10.342   4.8106  23.298  10.843 27.698  10.459 -4.399830      15.06534 
1 1 1 32 26 12 o 23.992  5.5318 7.5457   2.0820  25.688  5.8465 22.295  9.3926 3.393080       11.06355 
1 1 1 32 26 14 o 18.646  5.1231 2.2220   2.3978  22.192  7.1212 15.099  7.3671 7.092856       10.24620 
1 1 1 32 26 16 o 47.385  6.5675 30.498   3.1609  48.705  4.4572 46.065  12.356 2.640980       13.13502 
1 1 1 32 27 1  o 20.635  6.8059 0.6193   5.0689  22.382  10.036 18.888  9.1950 3.494017       13.61174 
1 1 1 32 27 3  o 24.033  7.5500 8.2287   5.0282  21.141  9.6183 26.925  11.640 -5.783718      15.09997 
1 1 1 32 27 5  o 21.257  6.6559 1.5631   4.2055  27.274  11.024 15.239  7.4620 12.03504       13.31171 
1 1 1 32 27 7  o 17.272  5.8512 -4.0894  4.1625  16.740  8.1669 17.804  8.3813 -1.063969      11.70230 
1 1 1 32 27 9  o 19.818  6.3613 2.2224   3.9577  22.405  9.7134 17.230  8.2166 5.175436       12.72254 
1 1 1 32 27 11 o 23.999  5.3382 7.8080   2.0067  26.608  5.4670 21.391  9.1704 5.217104       10.67634 
1 1 1 32 27 13 o 19.106  5.9653 3.7153   2.6399  17.441  6.9098 20.771  9.7259 -3.329920      11.93055 
1 1 1 32 28 0  o 16.702  11.238 3.4479   10.344  16.702  11.238 ?       ?      0.000000       0.000000 
1 1 1 32 28 2  o 17.360  5.9850 -5.2742  4.6296  19.019  9.1363 15.701  7.7335 3.317741       11.96995 
1 1 1 32 28 4  o 19.759  6.5236 1.0455   4.6351  19.027  9.3691 20.491  9.0802 -1.463959      13.04723 
1 1 1 32 28 6  o 23.365  7.3470 8.9613   4.4310  26.731  11.726 19.999  8.8547 6.732620       14.69391 
1 1 1 32 28 8  o 19.469  6.5268 0.9351   4.9021  18.754  9.1175 20.184  9.3418 -1.430164      13.05368 
1 1 1 33 1  0  o 74.964  3.4223 56.699   5.1080  74.964  3.4223 ?       ?      0.000000       0.000000 
1 1 1 33 1  2  o 62.881  2.4410 39.677   2.1634  64.231  3.5787 61.531  3.3207 2.700497       4.881966 
1 1 1 33 1  4  o 75.640  2.1477 57.306   2.2915  78.281  3.0995 72.999  2.9739 5.282127       4.295449 
1 1 1 33 1  6  o 83.956  1.9996 70.677   2.3349  84.303  3.1053 83.609  2.5202 0.6945572      3.999258 
1 1 1 33 1  8  o 111.751 1.8105 125.494  2.8123  110.745 2.8251 112.756 2.2651 -2.011147      3.621028 
1 1 1 33 1  10 o 130.553 1.7931 171.496  3.2632  128.583 2.7808 132.523 2.2645 -3.940109      3.586181 
1 1 1 33 1  12 o 71.896  2.1749 51.512   2.0507  73.349  3.6561 70.443  2.3567 2.905731       4.349835 
1 1 1 33 1  14 o 53.834  2.9729 29.612   2.1246  52.523  4.9843 55.146  3.2419 -2.623878      5.945852 
1 1 1 33 1  16 o 42.391  4.2302 19.538   2.2348  37.416  7.4314 47.367  4.0440 -9.951149      8.460439 
1 1 1 33 1  18 o 68.494  2.4034 46.962   2.2951  71.988  3.6365 64.999  3.1435 6.989143       4.806825 
1 1 1 33 1  20 o 64.756  2.7078 43.175   2.0992  63.168  4.8519 66.345  2.4060 -3.177048      5.415669 
1 1 1 33 1  22 o 44.840  3.2729 20.674   2.0746  43.863  4.6582 45.817  4.5989 -1.954315      6.545895 
1 1 1 33 1  24 o 22.010  4.9682 5.1895   1.8429  25.185  6.7188 18.836  7.3206 6.349619       9.936499 
1 1 1 33 1  26 o 19.382  5.2527 2.6040   2.2024  23.157  7.8556 15.606  6.9751 7.550434       10.50533 
1 1 1 33 1  28 o 18.128  5.1128 2.5378   1.9500  18.217  7.6527 18.038  6.7824 0.1784325      10.22566 
1 1 1 33 1  30 o 17.221  5.0787 1.7040   1.9714  14.640  6.2916 19.803  7.9743 -5.163738      10.15743 
1 1 1 33 1  32 o 19.391  5.4259 3.7626   2.2024  18.977  7.5837 19.806  7.7619 -0.8293037     10.85173 
1 1 1 33 1  34 o 25.392  5.6130 8.7475   2.2986  22.332  8.0401 28.451  7.8346 -6.119682      11.22603 
1 1 1 33 1  36 o 36.448  4.0823 16.000   1.9464  39.275  4.3895 33.621  6.8842 5.653149       8.164568 
1 1 1 33 2  1  o 174.998 1.9365 307.299  4.7811  175.064 2.8449 174.931 2.6280 0.1335907      3.872949 
1 1 1 33 2  3  o 194.210 1.9879 378.594  5.4590  193.105 2.8436 195.316 2.7787 -2.211060      3.975852 
1 1 1 33 2  5  o 163.160 1.9014 267.542  4.3623  160.785 2.8592 165.536 2.5072 -4.751083      3.802794 
1 1 1 33 2  7  o 117.498 1.8129 138.213  2.9670  118.575 2.8001 116.422 2.3034 2.152588       3.625807 
1 1 1 33 2  9  o 139.349 1.8353 195.115  3.6005  137.358 2.7426 141.340 2.4395 -3.981796      3.670529 
1 1 1 33 2  11 o 101.845 1.8269 104.171  2.5930  101.649 2.8267 102.041 2.3152 -0.3923340     3.653794 
1 1 1 33 2  13 o 36.242  4.0245 13.433   1.8784  37.169  6.7791 35.314  4.3394 1.855251       8.048952 
1 1 1 33 2  15 o 46.707  3.2312 22.171   1.9646  46.479  5.4950 46.935  3.4010 -0.4559402     6.462352 
1 1 1 33 2  17 o 51.518  3.5741 28.323   2.3188  46.715  6.2873 56.322  3.4010 -9.606438      7.148234 
1 1 1 33 2  19 o 23.534  5.0883 5.8522   1.8318  22.011  6.8331 25.058  7.5413 -3.047251      10.17658 
1 1 1 33 2  21 o 48.270  3.0983 23.923   2.1051  49.760  4.1062 46.780  4.6407 2.980141       6.196516 
1 1 1 33 2  23 o 67.407  2.3377 46.400   2.1654  68.184  2.8093 66.630  3.7373 1.554230       4.675439 
1 1 1 33 2  25 o 15.909  4.8284 0.0474   1.9464  18.825  7.6229 12.994  5.9282 5.830970       9.656716 
1 1 1 33 2  27 o 30.703  5.4166 10.858   2.3193  26.900  7.3773 34.506  7.9329 -7.605309      10.83312 
1 1 1 33 2  29 o 17.513  5.0814 2.1344   1.9702  18.526  7.6508 16.499  6.6895 2.027008       10.16288 
1 1 1 33 2  31 o 21.680  5.0876 4.9726   2.0993  16.436  7.1830 26.925  7.2068 -10.48921      10.17511 
1 1 1 33 2  33 o 21.544  5.3117 5.2148   2.1271  16.578  6.9864 26.510  8.0029 -9.931797      10.62337 
1 1 1 33 2  35 o 28.086  5.0237 10.326   2.0067  29.949  6.5749 26.222  7.5974 3.726631       10.04735 
1 1 1 33 3  0  o 71.064  2.7947 50.825   3.9587  71.064  2.7947 ?       ?      0.000000       0.000000 
1 1 1 33 3  2  o 100.707 1.7710 101.713  2.5217  100.735 2.5354 100.679 2.4734 0.5601501E-01  3.541984 
1 1 1 33 3  4  o 96.173  1.7395 92.839   2.3625  93.186  2.5352 99.161  2.3825 -5.975197      3.479007 
1 1 1 33 3  6  o 80.662  1.8870 64.784   2.0813  82.638  3.0134 78.686  2.2721 3.951241       3.773946 
1 1 1 33 3  8  o 39.237  3.2897 15.398   1.7744  40.637  5.1851 37.837  4.0500 2.799885       6.579389 
1 1 1 33 3  10 o 96.001  1.8226 92.722   2.4379  94.805  2.8287 97.197  2.2992 -2.392410      3.645248 
1 1 1 33 3  12 f 61.057  2.7677 38.544   2.2348  57.296  4.6804 64.818  2.9552 -7.521297      5.535331 
1 1 1 33 3  14 o 57.027  2.7454 33.018   1.9136  56.461  4.8628 57.594  2.5499 -1.132980      5.490776 
1 1 1 33 3  16 o 24.095  5.1355 6.0884   1.9464  26.464  6.5429 21.727  7.9172 4.737112       10.27091 
1 1 1 33 3  18 o 59.197  2.6646 34.404   2.1180  54.158  3.1832 64.236  4.2742 -10.07853      5.329294 
1 1 1 33 3  20 o 36.718  3.6827 13.798   1.8964  34.316  5.0237 39.120  5.3861 -4.803898      7.365317 
1 1 1 33 3  22 f 16.611  4.6869 1.7289   1.6503  16.952  6.8373 16.270  6.4126 0.6824284      9.373872 
1 1 1 33 3  24 o 34.540  4.4906 13.107   2.1385  36.632  5.7519 32.447  6.8977 4.184994       8.981286 
1 1 1 33 3  26 o 23.557  4.8125 6.2779   1.7855  19.618  7.2010 27.496  6.3865 -7.878519      9.625045 
1 1 1 33 3  28 o 15.939  4.8739 0.5493   1.9986  15.127  6.5747 16.751  7.1967 -1.623772      9.747799 
1 1 1 33 3  30 o 46.377  3.4165 23.077   2.2329  47.504  4.5700 45.250  5.0798 2.253418       6.832946 
1 1 1 33 3  32 o 43.418  3.9743 21.052   2.4246  39.946  5.9141 46.890  5.3106 -6.943924      7.948517 
1 1 1 33 3  34 o 35.790  4.6837 15.695   2.2968  32.706  7.3959 38.873  5.7488 -6.167038      9.367377 
1 1 1 33 3  36 o 36.555  4.5150 16.729   2.1654  39.865  4.8050 33.244  7.6453 6.620327       9.029913 
1 1 1 33 4  1  o 139.654 1.8270 195.658  3.6073  138.827 2.6216 140.481 2.5453 -1.653519      3.653924 
1 1 1 33 4  3  o 76.642  1.8341 59.045   1.9711  75.502  2.7907 77.782  2.3806 -2.279648      3.668144 
1 1 1 33 4  5  o 69.391  2.0357 48.376   1.9464  69.127  3.2328 69.654  2.4750 -0.5272751     4.071496 
1 1 1 33 4  7  o 140.301 1.6434 197.459  3.2514  139.399 2.4276 141.202 2.2157 -1.803375      3.286763 
1 1 1 33 4  9  o 90.680  1.8334 82.859   2.3091  88.924  2.8721 92.437  2.2795 -3.512848      3.666769 
1 1 1 33 4  11 f 38.020  3.4658 14.686   1.6419  37.860  6.0713 38.180  3.3447 -0.3197746     6.931685 
1 1 1 33 4  13 f 52.165  2.7235 27.360   1.9986  54.812  3.9607 49.517  3.7394 5.294426       5.447024 
1 1 1 33 4  15 o 57.105  2.3008 32.914   1.8429  57.529  2.9967 56.681  3.4921 0.8480606      4.601664 
1 1 1 33 4  17 o 119.450 1.7633 143.301  2.9412  118.502 2.2630 120.398 2.7047 -1.895874      3.526536 
1 1 1 33 4  19 o 104.161 1.9973 110.005  2.8627  106.264 2.4035 102.059 3.1907 4.204811       3.994630 
1 1 1 33 4  21 o 39.453  2.8693 15.922   1.5937  40.214  3.8106 38.691  4.2907 1.522934       5.738529 
1 1 1 33 4  23 o 20.773  5.3461 4.1257   2.0746  18.569  7.3775 22.977  7.7392 -4.407465      10.69215 
1 1 1 33 4  25 f 34.775  4.1805 13.215   1.9608  36.215  4.9367 33.335  6.7480 2.879189       8.361057 
1 1 1 33 4  27 o 13.850  4.4990 -2.3625  2.0432  14.804  6.6417 12.895  6.0706 1.909125       8.997973 
1 1 1 33 4  29 o 37.797  4.6671 16.245   2.4196  39.016  5.8915 36.577  7.2400 2.438805       9.334213 
1 1 1 33 4  31 o 44.385  3.1630 21.099   1.9773  45.490  4.2108 43.279  4.7210 2.211239       6.326051 
1 1 1 33 4  33 o 13.660  4.4985 -2.4682  2.1347  11.842  5.7194 15.479  6.9450 -3.636368      8.996926 
1 1 1 33 4  35 o 14.751  4.7919 -0.7006  2.2968  14.633  6.7054 14.870  6.8476 -0.2370100     9.583896 
1 1 1 33 5  0  o 212.527 2.7650 452.700  11.748  212.527 2.7650 ?       ?      0.000000       0.000000 
1 1 1 33 5  2  o 138.748 1.6952 193.053  3.3092  138.520 2.5352 138.977 2.2512 -0.4563141     3.390471 
1 1 1 33 5  4  o 33.919  3.2726 11.636   1.5585  33.522  4.9523 34.316  4.2795 -0.7939796     6.545142 
1 1 1 33 5  6  o 159.719 1.7664 255.565  3.9843  156.520 2.4476 162.918 2.5475 -6.397614      3.532772 
1 1 1 33 5  8  f 140.199 1.7844 198.100  3.4932  136.544 2.7590 143.854 2.2637 -7.310562      3.568756 
1 1 1 33 5  10 o 112.938 1.6437 128.191  2.6116  111.364 2.4654 114.512 2.1746 -3.147873      3.287410 
1 1 1 33 5  12 o 63.434  2.2680 40.591   1.9702  63.753  2.7041 63.115  3.6419 0.6380348      4.536088 
1 1 1 33 5  14 o 24.511  4.4022 6.2012   1.5733  18.809  6.3190 30.213  6.1309 -11.40475      8.804417 
1 1 1 33 5  16 o 43.132  2.9925 18.582   1.7520  40.973  3.5842 45.292  4.7932 -4.318962      5.985099 
1 1 1 33 5  18 o 66.342  2.1814 44.161   2.0113  64.357  2.7780 68.327  3.3641 -3.970909      4.362849 
1 1 1 33 5  20 o 65.854  2.2618 43.763   2.0993  62.221  3.1812 69.488  3.2161 -7.266613      4.523602 
1 1 1 33 5  22 o 15.346  4.6764 0.1233   1.8318  15.196  6.4008 15.495  6.8193 -0.2990932     9.352740 
1 1 1 33 5  24 o 16.912  5.5293 -1.3368  2.4019  13.995  6.1531 19.828  9.1888 -5.832990      11.05864 
1 1 1 33 5  26 f 17.460  4.9447 2.2282   1.8495  17.869  7.1294 17.051  6.8537 0.8187714      9.889477 
1 1 1 33 5  28 o 33.220  4.1934 12.351   1.9134  34.857  5.3122 31.583  6.4898 3.273619       8.386728 
1 1 1 33 5  30 o 37.928  3.5848 15.605   1.9134  39.042  4.7428 36.814  5.3767 2.227673       7.169545 
1 1 1 33 5  32 o 27.710  5.4022 9.7219   2.2024  25.852  7.9084 29.568  7.3617 -3.716028      10.80449 
1 1 1 33 5  34 o 17.574  5.2147 2.5614   2.1913  15.649  6.8535 19.498  7.8615 -3.848915      10.42947 
1 1 1 33 6  1  o 54.766  1.6493 30.038   1.2738  55.400  2.4203 54.132  2.2411 1.268562       3.298563 
1 1 1 33 6  3  o 62.335  1.6295 38.679   1.4189  64.725  2.4662 59.945  2.1303 4.779377       3.258905 
1 1 1 33 6  5  o 147.689 1.7885 218.826  3.7350  148.104 2.5005 147.274 2.5579 0.8294678      3.577086 
1 1 1 33 6  7  o 185.879 1.8631 347.346  4.8743  183.219 2.7879 188.539 2.4722 -5.320450      3.726187 
1 1 1 33 6  9  o 147.018 1.8053 217.884  3.6329  149.056 2.1418 144.980 2.9067 4.075638       3.610578 
1 1 1 33 6  11 o 86.853  1.7635 76.039   2.1004  87.971  2.1049 85.735  2.8300 2.236305       3.526957 
1 1 1 33 6  13 o 78.261  1.8157 61.675   1.9279  78.811  2.1065 77.711  2.9579 1.100060       3.631303 
1 1 1 33 6  15 o 30.040  3.5351 9.2833   1.4575  26.703  5.2072 33.377  4.7825 -6.674532      7.070196 
1 1 1 33 6  17 o 122.138 1.7417 149.922  2.9792  121.287 2.2637 122.989 2.6477 -1.701263      3.483479 
1 1 1 33 6  19 o 54.911  2.2183 30.137   1.7027  49.228  3.1129 60.594  3.1612 -11.36586      4.436627 
1 1 1 33 6  21 o 68.243  2.0179 47.097   1.9469  67.133  2.8533 69.353  2.8540 -2.219658      4.035710 
1 1 1 33 6  23 o 34.828  3.4356 12.695   1.6914  34.034  4.8777 35.623  4.8395 -1.588249      6.871197 
1 1 1 33 6  25 o 26.780  4.9129 8.2529   1.8701  27.280  6.4193 26.280  7.4390 0.9999332      9.825789 
1 1 1 33 6  27 o 18.896  5.1162 3.2428   1.9427  20.025  7.2156 17.767  7.2551 2.258465       10.23231 
1 1 1 33 6  29 o 22.268  4.5845 4.7379   1.8701  30.798  6.8154 13.738  6.1334 17.06066       9.168920 
1 1 1 33 6  31 o 32.394  4.4746 12.511   1.9773  26.207  7.4457 38.581  4.9650 -12.37353      8.949243 
1 1 1 33 6  33 o 29.734  5.5839 11.755   2.3735  27.412  7.6386 32.055  8.1469 -4.643097      11.16781 
1 1 1 33 6  35 f 17.554  5.0698 1.6251   2.3266  13.158  6.3247 21.950  7.9252 -8.792480      10.13955 
1 1 1 33 7  0  o 89.306  1.9324 79.941   3.4479  89.306  1.9324 ?       ?      0.000000       0.000000 
1 1 1 33 7  2  o 96.274  1.5242 92.896   2.0746  96.502  2.1834 96.045  2.1273 0.4573669      3.048439 
1 1 1 33 7  4  o 73.090  1.6237 53.489   1.5224  72.920  1.6637 73.260  2.7890 -0.3396606     3.247498 
1 1 1 33 7  6  o 33.607  2.3131 11.435   0.9752  34.039  2.2509 33.175  4.0417 0.8641739      4.626276 
1 1 1 33 7  8  o 70.284  1.7726 49.836   1.6648  71.199  1.9729 69.369  2.9454 1.830299       3.545128 
1 1 1 33 7  10 o 69.530  1.6297 48.069   1.5554  67.232  1.9944 71.829  2.5779 -4.596825      3.259309 
1 1 1 33 7  12 o 40.419  2.8521 16.440   1.4177  40.162  2.7027 40.675  5.0232 -0.5131035     5.704148 
1 1 1 33 7  14 o 25.963  4.2644 7.1382   1.4855  27.216  4.4576 24.710  7.2712 2.505585       8.528778 
1 1 1 33 7  16 o 39.385  2.8810 15.733   1.5733  39.058  3.5965 39.713  4.5018 -0.6556358     5.762055 
1 1 1 33 7  18 o 44.668  2.7385 20.314   1.7145  44.869  3.5576 44.466  4.1642 0.4020615      5.476967 
1 1 1 33 7  20 o 37.046  3.5336 14.343   1.8147  39.780  4.3337 34.313  5.5825 5.467510       7.067251 
1 1 1 33 7  22 o 30.935  4.3838 10.538   1.8429  29.673  6.0197 32.197  6.3744 -2.524498      8.767561 
1 1 1 33 7  24 o 22.935  5.2119 5.8444   1.8815  21.708  6.8517 24.162  7.8556 -2.453438      10.42378 
1 1 1 33 7  26 o 42.919  3.0166 18.759   1.7251  40.651  3.4555 45.188  4.9455 -4.536640      6.033157 
1 1 1 33 7  28 o 28.948  4.8127 9.8058   1.9469  26.265  7.1165 31.631  6.4810 -5.365526      9.625405 
1 1 1 33 7  30 o 24.719  6.2634 7.6969   2.7165  25.288  9.5698 24.151  8.0833 1.136326       12.52683 
1 1 1 33 7  32 o 19.755  5.4401 4.3418   2.1654  19.470  7.2924 20.039  8.0747 -0.5696278     10.88028 
1 1 1 33 7  34 o 26.045  5.8419 9.6671   2.4479  22.793  8.0565 29.298  8.4618 -6.505398      11.68374 
1 1 1 33 8  1  o 119.695 1.7008 143.689  2.8605  119.910 2.5559 119.480 2.2445 0.4292603      3.401556 
1 1 1 33 8  3  o 110.016 2.0813 121.971  3.2165  107.494 3.1482 112.539 2.7233 -5.045029      4.162634 
1 1 1 33 8  5  o 52.926  2.2880 28.391   1.6770  51.205  3.6161 54.647  2.8042 -3.441650      4.576022 
1 1 1 33 8  7  o 65.091  1.6919 41.870   1.4366  62.947  1.8258 67.235  2.8490 -4.288551      3.383833 
1 1 1 33 8  9  o 95.693  1.8064 90.940   2.2407  93.470  1.9127 97.916  3.0649 -4.445824      3.612730 
1 1 1 33 8  11 o 109.402 1.5898 119.943  2.4479  107.853 2.1313 110.951 2.3595 -3.097824      3.179530 
1 1 1 33 8  13 o 82.532  1.9639 68.770   2.2303  83.528  2.3697 81.535  3.1324 1.992996       3.927780 
1 1 1 33 8  15 f 21.172  4.4534 4.6415   1.5116  24.209  5.4121 18.134  7.0739 6.074799       8.906734 
1 1 1 33 8  17 o 45.377  2.4724 21.411   1.5218  49.929  2.8134 40.824  4.0665 9.105160       4.944865 
1 1 1 33 8  19 o 69.882  2.1527 49.513   2.0761  70.530  2.6254 69.235  3.4123 1.295067       4.305361 
1 1 1 33 8  21 o 63.368  2.2504 40.751   1.9865  62.240  2.8725 64.495  3.4650 -2.255428      4.500813 
1 1 1 33 8  23 o 16.342  4.7034 1.1448   1.7923  17.901  6.6665 14.783  6.6366 3.117859       9.406719 
1 1 1 33 8  25 o 62.685  2.4550 40.184   2.1409  61.310  3.1243 64.059  3.7876 -2.748661      4.909914 
1 1 1 33 8  27 o 57.266  2.8893 33.911   2.2566  54.971  3.4846 59.562  4.6096 -4.590786      5.778517 
1 1 1 33 8  29 o 22.552  5.3400 5.9421   2.0352  19.606  7.3025 25.498  7.7935 -5.892094      10.68009 
1 1 1 33 8  31 o 20.016  5.2246 2.8000   2.0188  12.170  5.6137 27.862  8.8132 -15.69168      10.44920 
1 1 1 33 8  33 o 15.014  4.7895 -0.1916  2.1709  14.180  6.5430 15.847  6.9962 -1.667133      9.579057 
1 1 1 33 9  0  o 104.176 5.1134 110.206  10.599  104.176 5.1134 ?       ?      0.000000       0.000000 
1 1 1 33 9  2  o 89.454  3.4479 81.458   4.3268  87.696  5.2423 91.212  4.4802 -3.516106      6.895868 
1 1 1 33 9  4  o 58.292  4.1978 36.139   1.6717  60.691  1.6833 55.893  8.2251 4.798176       8.395575 
1 1 1 33 9  6  o 68.602  2.2441 47.793   2.1004  66.628  3.6416 70.575  2.6237 -3.946854      4.488290 
1 1 1 33 9  8  o 90.171  2.1204 82.156   2.5633  89.147  3.5096 91.196  2.3805 -2.049561      4.240745 
1 1 1 33 9  10 o 114.083 1.6864 129.429  2.6502  109.961 2.0904 118.205 2.6468 -8.244804      3.372741 
1 1 1 33 9  12 o 38.182  2.5743 14.856   1.2648  38.865  2.6286 37.499  4.4271 1.366749       5.148690 
1 1 1 33 9  14 o 75.941  1.9177 57.825   1.9933  74.848  2.3033 77.033  3.0668 -2.184647      3.835427 
1 1 1 33 9  16 o 72.407  1.9164 52.912   1.9218  72.740  2.3700 72.073  3.0121 0.6666946      3.832722 
1 1 1 33 9  18 o 57.416  2.4426 32.844   1.9052  54.248  2.9425 60.584  3.8995 -6.335144      4.885131 
1 1 1 33 9  20 f 41.983  3.2895 18.127   1.9050  40.620  4.0869 43.345  5.1557 -2.725342      6.579096 
1 1 1 33 9  22 o 29.230  4.5792 9.6014   1.8701  32.612  5.2864 25.849  7.4788 6.762297       9.158485 
1 1 1 33 9  24 o 25.081  5.3634 7.3022   2.0587  26.046  6.7938 24.116  8.3010 1.929878       10.72672 
1 1 1 33 9  26 o 45.811  4.7693 24.792   2.3694  50.886  3.5134 40.735  8.8679 10.15094       9.538536 
1 1 1 33 9  28 o 27.149  5.0620 8.8752   2.1071  21.127  7.6887 33.170  6.5863 -12.04306      10.12406 
1 1 1 33 9  30 o 21.330  5.3775 5.0253   2.2303  24.615  7.4254 18.045  7.7804 6.570194       10.75504 
1 1 1 33 9  32 o 20.604  5.8154 5.1623   2.5476  20.325  8.0506 20.883  8.3942 -0.5586376     11.63073 
1 1 1 33 9  34 o 21.333  5.9738 6.4016   2.6682  21.508  8.0901 21.158  8.7918 0.3501701      11.94764 
1 1 1 33 10 1  o 64.450  4.4135 42.716   4.0226  64.797  6.2080 64.104  6.2751 0.6934891      8.826993 
1 1 1 33 10 3  o 109.308 3.3450 121.252  5.1593  107.031 4.5935 111.584 4.8638 -4.553566      6.690096 
1 1 1 33 10 5  o 122.525 2.9337 152.153  5.0759  118.209 4.2672 126.840 4.0271 -8.631042      5.867418 
1 1 1 33 10 7  o 60.757  4.5681 37.532   2.2263  60.840  2.3089 60.675  8.8396 0.1645508      9.136169 
1 1 1 33 10 9  o 109.548 2.7205 120.248  3.4735  108.447 2.3551 110.649 4.9050 -2.202209      5.441058 
1 1 1 33 10 11 o 77.400  3.0731 60.288   3.1716  75.568  3.4643 79.233  5.0769 -3.665512      6.146212 
1 1 1 33 10 13 o 27.359  3.0802 7.4705   1.0606  25.635  3.2380 29.083  5.2408 -3.448387      6.160395 
1 1 1 33 10 15 o 36.885  2.7698 13.746   1.4019  36.033  3.3668 37.737  4.3991 -1.704056      5.539615 
1 1 1 33 10 17 o 61.231  2.2837 37.933   1.8841  61.112  2.6120 61.349  3.7468 -0.2368965     4.567370 
1 1 1 33 10 19 o 23.070  4.2261 5.6974   1.6208  29.333  4.7888 16.806  6.9648 12.52788       8.452296 
1 1 1 33 10 21 o 48.144  2.8474 24.065   1.8964  49.558  3.4787 46.731  4.5089 2.826267       5.694863 
1 1 1 33 10 23 o 53.888  2.4785 29.914   1.8787  54.560  3.2768 53.217  3.7194 1.342587       4.956963 
1 1 1 33 10 25 o 25.049  5.5996 7.4876   2.2555  26.767  7.5471 23.331  8.2742 3.436016       11.19919 
1 1 1 33 10 27 o 59.687  2.9037 37.735   2.3429  61.925  3.2995 57.450  4.7790 4.474434       5.807410 
1 1 1 33 10 29 o 54.310  2.9182 31.351   2.2348  51.900  4.3059 56.720  3.9400 -4.820202      5.836442 
1 1 1 33 10 31 f 15.741  4.9289 0.2518   2.2329  14.227  6.6286 17.256  7.2965 -3.029327      9.857863 
1 1 1 33 10 33 o 26.990  5.7477 10.441   2.3906  28.464  7.8331 25.516  8.4134 2.947918       11.49533 
1 1 1 33 11 0  o 53.427  12.230 33.841   11.365  53.427  12.230 ?       ?      0.000000       0.000000 
1 1 1 33 11 2  o 104.089 3.5178 109.887  5.1214  101.793 4.5790 106.386 5.3416 -4.593010      7.035611 
1 1 1 33 11 4  o 136.512 3.3367 189.602  6.3812  135.573 5.0864 137.452 4.3201 -1.878296      6.673485 
1 1 1 33 11 6  o 123.280 2.9877 153.313  5.1472  120.013 3.8838 126.548 4.5410 -6.534897      5.975360 
1 1 1 33 11 8  o 37.132  4.8989 13.471   1.7395  34.854  3.2975 39.410  9.2263 -4.556038      9.797875 
1 1 1 33 11 10 o 49.465  3.9617 23.194   2.1329  44.979  3.2650 53.951  7.2193 -8.971558      7.923321 
1 1 1 33 11 12 o 39.351  5.3109 15.483   2.2194  36.811  4.1629 41.892  9.7721 -5.080944      10.62186 
1 1 1 33 11 14 o 36.035  5.2520 13.127   1.8353  34.583  3.5080 37.486  9.9009 -2.903877      10.50400 
1 1 1 33 11 16 o 47.837  4.4642 23.660   1.7814  47.901  2.3993 47.774  8.5999 0.1273422      8.928354 
1 1 1 33 11 18 o 24.970  5.0369 6.6836   1.7484  27.462  4.4177 22.478  9.0535 4.983997       10.07384 
1 1 1 33 11 20 o 49.330  3.9492 25.322   2.0271  49.245  2.8525 49.414  7.3652 -0.1691284     7.898323 
1 1 1 33 11 22 o 27.780  5.1794 8.7873   1.9137  29.555  4.7529 26.006  9.2041 3.548922       10.35887 
1 1 1 33 11 24 o 21.535  5.7388 4.6483   2.2067  19.498  6.9686 23.572  9.1201 -4.073755      11.47764 
1 1 1 33 11 26 o 24.574  5.6697 7.1731   2.3440  27.011  7.1963 22.137  8.7632 4.874111       11.33932 
1 1 1 33 11 28 o 40.035  5.9536 18.887   2.8044  38.087  5.3645 41.983  10.630 -3.895905      11.90711 
1 1 1 33 11 30 o 25.488  6.7396 8.9520   3.0344  24.911  7.9585 26.065  10.879 -1.153646      13.47914 
1 1 1 33 11 32 o 23.254  6.0548 7.5718   2.6248  24.459  7.4349 22.049  9.5584 2.410442       12.10953 
1 1 1 33 12 1  o 42.431  6.5154 19.830   3.7967  41.250  9.2128 43.612  9.2156 -2.362255      13.03079 
1 1 1 33 12 3  o 116.262 3.3279 137.792  5.4575  113.040 4.9142 119.483 4.4889 -6.442802      6.655754 
1 1 1 33 12 5  o 130.305 3.1865 172.603  5.7793  130.119 4.0238 130.491 4.9420 -0.3725281     6.372949 
1 1 1 33 12 7  o 64.750  4.9242 43.777   4.4994  67.895  6.7711 61.606  7.1514 6.288765       9.848392 
1 1 1 33 12 9  o 81.973  3.4292 64.097   2.7125  76.857  2.3262 87.089  6.4518 -10.23218      6.858369 
1 1 1 33 12 11 o 104.933 2.4674 111.330  3.3018  104.872 2.4962 104.993 4.2570 -0.1208191     4.934880 
1 1 1 33 12 13 o 31.771  6.0524 10.804   2.3920  32.637  5.0867 30.906  10.984 1.730152       12.10484 
1 1 1 33 12 15 o 28.730  5.3027 8.5449   1.8655  26.563  5.2343 30.897  9.2236 -4.333876      10.60534 
1 1 1 33 12 17 o 38.066  5.7724 15.367   1.9865  37.613  3.3951 38.519  11.034 -0.9064217     11.54482 
1 1 1 33 12 19 o 66.854  2.9647 44.985   2.2309  65.113  2.4515 68.595  5.3988 -3.482750      5.929338 
1 1 1 33 12 21 f 49.804  4.6195 28.310   2.1329  53.851  2.7271 45.756  8.8273 8.095196       9.238907 
1 1 1 33 12 23 o 20.953  5.9544 3.6593   2.2194  18.420  6.5714 23.486  9.9316 -5.066010      11.90882 
1 1 1 33 12 25 o 32.387  5.2172 12.449   2.1537  34.801  4.7704 29.973  9.2802 4.827456       10.43449 
1 1 1 33 12 27 o 52.385  3.8845 31.074   2.2986  56.512  3.0506 48.257  7.1450 8.255829       7.768960 
1 1 1 33 12 29 o 35.722  4.9679 15.373   2.2714  37.383  4.9532 34.061  8.6131 3.321922       9.935784 
1 1 1 33 12 31 o 19.473  5.5681 3.4068   2.5952  21.431  7.4858 17.516  8.2449 3.914906       11.13625 
1 1 1 33 13 0  o 180.112 4.3305 327.681  15.580  180.112 4.3305 ?       ?      0.000000       0.000000 
1 1 1 33 13 2  o 157.215 3.1045 251.147  6.8669  158.805 4.6238 155.626 4.1438 3.179047       6.208941 
1 1 1 33 13 4  o 87.293  3.5653 77.689   4.2896  88.400  5.6339 86.186  4.3710 2.214455       7.130638 
1 1 1 33 13 6  o 94.798  3.9337 92.634   5.2659  96.332  5.3688 93.265  5.7507 3.066803       7.867362 
1 1 1 33 13 8  o 127.191 3.1671 164.431  5.5193  128.728 5.0593 125.655 3.8111 3.072800       6.334110 
1 1 1 33 13 10 o 108.238 2.6191 116.376  3.4194  104.992 2.4326 111.484 4.6391 -6.492020      5.238230 
1 1 1 33 13 12 o 88.197  2.7398 78.087   3.0439  86.254  2.7390 90.139  4.7460 -3.885399      5.479617 
1 1 1 33 13 14 o 54.177  4.1787 30.504   2.6084  54.450  3.5180 53.905  7.5809 0.5449448      8.357361 
1 1 1 33 13 16 o 58.488  3.1252 34.988   1.9853  58.302  2.4094 58.675  5.7675 -0.3738823     6.250492 
1 1 1 33 13 18 o 28.434  5.8154 8.8397   1.9865  29.990  4.2582 26.879  10.823 3.110851       11.63073 
1 1 1 33 13 20 o 16.875  5.2123 0.4425   2.0288  12.994  5.7925 20.757  8.6671 -7.763019      10.42457 
1 1 1 33 13 22 o 28.580  5.0707 9.1190   2.0374  22.247  6.9747 34.914  7.3622 -12.66630      10.14141 
1 1 1 33 13 24 o 39.370  5.7761 16.592   2.4303  35.529  4.6726 43.211  10.565 -7.682213      11.55222 
1 1 1 33 13 26 o 32.643  5.7832 12.515   2.3837  29.032  6.3335 36.253  9.6784 -7.221180      11.56648 
1 1 1 33 13 28 o 20.336  4.9361 4.0350   2.0585  24.905  6.7528 15.767  7.2013 9.138315       9.872161 
1 1 1 33 13 30 o 15.389  4.9990 -0.6866  2.4247  14.025  6.4987 16.753  7.5978 -2.727860      9.997999 
1 1 1 33 13 32 f 14.526  4.6974 -0.3474  2.1540  13.805  6.3197 15.247  6.9516 -1.441265      9.394861 
1 1 1 33 14 1  f 135.059 3.1814 183.495  5.8937  128.755 3.9177 141.363 5.0136 -12.60791      6.362746 
1 1 1 33 14 3  o 106.873 3.1782 116.210  4.7343  108.314 4.8928 105.432 4.0576 2.881577       6.356358 
1 1 1 33 14 5  o 27.964  8.0722 5.0771   5.1239  26.436  11.369 29.492  11.462 -3.055880      16.14438 
1 1 1 33 14 7  o 70.909  4.6722 52.915   4.6576  67.979  7.0445 73.840  6.1395 -5.861076      9.344467 
1 1 1 33 14 9  o 70.579  4.6205 52.078   4.5254  69.084  5.8227 72.073  7.1759 -2.988350      9.241088 
1 1 1 33 14 11 f 18.235  5.4297 1.2770   2.0067  16.263  6.2041 20.207  8.9126 -3.944294      10.85935 
1 1 1 33 14 13 o 26.030  6.4719 6.4582   2.4176  24.826  6.3927 27.233  11.255 -2.407526      12.94384 
1 1 1 33 14 15 o 25.735  6.3244 7.0392   2.5100  23.626  7.1930 27.844  10.405 -4.218250      12.64889 
1 1 1 33 14 17 o 35.074  5.0629 15.029   1.7075  40.255  2.8551 29.893  9.7149 10.36231       10.12578 
1 1 1 33 14 19 o 41.296  5.5749 19.633   2.1150  43.674  3.2163 38.917  10.676 4.757622       11.14971 
1 1 1 33 14 21 o 21.987  5.6245 4.3598   1.9389  15.520  6.1324 28.455  9.4305 -12.93495      11.24907 
1 1 1 33 14 23 o 17.923  5.0964 1.2400   2.1844  19.886  6.8642 15.960  7.5351 3.925920       10.19290 
1 1 1 33 14 25 o 17.286  5.3835 0.0000   2.3524  16.862  6.5699 17.710  8.5303 -0.8481560     10.76704 
1 1 1 33 14 27 o 18.927  6.0302 0.8379   2.6074  12.713  5.9333 25.141  10.500 -12.42828      12.06030 
1 1 1 33 14 29 o 25.388  6.1659 9.1648   2.6253  25.572  7.7890 25.204  9.5605 0.3685017      12.33171 
1 1 1 33 14 31 o 17.258  5.2631 2.0432   2.4492  18.750  7.5459 15.766  7.3388 2.984215       10.52611 
1 1 1 33 15 0  o 155.562 4.7298 245.697  14.686  155.562 4.7298 ?       ?      0.000000       0.000000 
1 1 1 33 15 2  o 89.047  3.3213 81.263   4.1800  88.632  4.6106 89.462  4.7819 -0.8300476     6.642577 
1 1 1 33 15 4  o 33.948  7.2578 13.233   3.8500  36.806  9.7365 31.090  10.766 5.716007       14.51561 
1 1 1 33 15 6  o 41.616  7.5819 20.294   4.4197  42.144  11.708 41.088  9.6359 1.055367       15.16370 
1 1 1 33 15 8  o 30.836  7.4934 9.5532   4.3409  24.385  10.357 37.288  10.833 -12.90255      14.98679 
1 1 1 33 15 10 o 50.046  6.2147 28.737   4.1463  58.941  6.8247 41.151  10.388 17.79012       12.42943 
1 1 1 33 15 12 o 45.535  5.2217 23.017   2.4360  47.688  3.6151 43.381  9.7977 4.306629       10.44339 
1 1 1 33 15 14 o 51.093  4.5481 26.547   2.7917  47.073  4.3405 55.114  7.9937 -8.041328      9.096162 
1 1 1 33 15 16 o 52.458  4.0656 30.916   2.5150  58.239  3.3987 46.676  7.3870 11.56364       8.131300 
1 1 1 33 15 18 o 32.062  5.5782 11.884   1.8572  34.141  3.5533 29.984  10.575 4.157913       11.15644 
1 1 1 33 15 20 o 24.333  5.6799 6.4393   1.9778  24.365  5.6147 24.300  9.8751 0.6513596E-01  11.35974 
1 1 1 33 15 22 o 14.741  4.7210 -1.6062  2.1044  14.816  6.3268 14.666  7.0089 0.1498089      9.442097 
1 1 1 33 15 24 o 22.332  5.5382 5.8077   2.1655  23.295  7.0630 21.369  8.5323 1.926250       11.07640 
1 1 1 33 15 26 o 24.033  5.7909 7.1513   2.2544  24.258  6.8224 23.807  9.3591 0.4513111      11.58180 
1 1 1 33 15 28 o 21.425  5.6955 5.0025   2.7025  24.908  7.6913 17.943  8.4023 6.965569       11.39096 
1 1 1 33 15 30 o 15.716  5.1462 -0.3906  2.6291  14.914  6.7896 16.518  7.7352 -1.603947      10.29238 
1 1 1 33 16 1  o 98.006  4.0934 100.554  5.5833  94.884  6.3928 101.127 5.1142 -6.243095      8.186810 
1 1 1 33 16 3  o 55.546  5.2093 32.970   4.0854  53.249  7.5543 57.843  7.1750 -4.594616      10.41866 
1 1 1 33 16 5  o 64.145  4.7903 43.568   4.3409  61.961  6.9043 66.329  6.6421 -4.368568      9.580593 
1 1 1 33 16 7  o 31.203  7.5611 10.940   3.9729  33.004  11.272 29.402  10.081 3.602547       15.12219 
1 1 1 33 16 9  o 76.495  4.9213 63.148   5.2996  80.710  6.5662 72.279  7.3321 8.430534       9.842502 
1 1 1 33 16 11 o 40.725  5.2830 18.474   1.7878  42.585  2.6989 38.864  10.216 3.720348       10.56601 
1 1 1 33 16 13 o 54.063  4.0909 29.556   2.5105  51.162  3.4944 56.963  7.3980 -5.800762      8.181770 
1 1 1 33 16 15 o 34.004  5.9573 13.460   2.6335  33.698  6.2970 34.310  10.115 -0.6124687     11.91459 
1 1 1 33 16 17 o 43.763  4.6894 20.276   2.7196  39.862  5.4461 47.665  7.6356 -7.802799      9.378832 
1 1 1 33 16 19 o 25.705  5.2944 7.4628   1.8117  27.636  4.3898 23.774  9.6361 3.861897       10.58887 
1 1 1 33 16 21 o 25.571  5.8702 6.7289   2.1218  17.855  6.5512 33.288  9.7425 -15.43307      11.74032 
1 1 1 33 16 23 o 21.314  5.8540 4.7675   2.2986  19.710  6.9761 22.919  9.4026 -3.208912      11.70791 
1 1 1 33 16 25 o 15.415  5.1246 -1.5009  2.3046  12.856  5.8523 17.973  8.4141 -5.117533      10.24919 
1 1 1 33 16 27 f 20.336  6.0343 4.5778   2.7692  18.731  7.6079 21.941  9.3686 -3.210110      12.06861 
1 1 1 33 16 29 o 22.201  5.1313 5.5141   2.4966  28.240  6.6576 16.162  7.8101 12.07840       10.26259 
1 1 1 33 17 0  o 164.908 4.6155 276.600  15.196  164.908 4.6155 ?       ?      0.000000       0.000000 
1 1 1 33 17 2  o 127.772 3.3603 167.392  5.9845  123.847 4.3307 131.697 5.1392 -7.850548      6.720559 
1 1 1 33 17 4  o 91.636  3.9983 88.127   5.1687  89.820  5.9002 93.452  5.3976 -3.632088      7.996674 
1 1 1 33 17 6  o 29.128  7.3698 9.5064   3.8855  32.020  10.778 26.236  10.055 5.783752       14.73954 
1 1 1 33 17 8  o 55.066  6.2156 35.118   4.7249  52.362  9.3616 57.770  8.1789 -5.408363      12.43112 
1 1 1 33 17 10 o 46.247  7.3062 26.700   4.6911  52.076  9.5523 40.418  11.058 11.65812       14.61236 
1 1 1 33 17 12 o 45.291  5.2453 21.221   2.2906  43.057  3.5590 47.524  9.8684 -4.466980      10.49056 
1 1 1 33 17 14 o 49.940  3.8433 27.165   2.3083  52.660  3.3950 47.219  6.8963 5.440453       7.686649 
1 1 1 33 17 16 o 65.582  3.9433 44.595   2.9875  63.874  3.3988 67.290  7.1166 -3.416328      7.886546 
1 1 1 33 17 18 o 54.407  4.1822 31.641   2.8355  52.669  4.1218 56.144  7.2784 -3.475010      8.364498 
1 1 1 33 17 20 o 22.289  5.9605 5.1342   2.1786  19.956  6.6000 24.622  9.9273 -4.665890      11.92104 
1 1 1 33 17 22 o 18.740  5.4857 2.1442   2.3164  19.026  6.8344 18.455  8.5825 0.5712662      10.97130 
1 1 1 33 17 24 o 25.944  5.9456 8.6746   2.4398  27.332  6.7952 24.557  9.7585 2.775013       11.89129 
1 1 1 33 17 26 o 22.950  5.5532 6.2821   2.5952  27.441  6.9656 18.458  8.6506 8.983154       11.10645 
1 1 1 33 17 28 o 35.784  5.8503 17.524   2.7505  34.449  6.7272 37.120  9.5732 -2.671440      11.70051 
1 1 1 33 18 1  o 44.661  7.1195 24.529   4.5651  53.046  8.6665 36.275  11.298 16.77067       14.23903 
1 1 1 33 18 3  o 67.739  4.4314 49.339   4.2401  69.146  6.3716 66.331  6.1607 2.815201       8.862871 
1 1 1 33 18 5  o 24.651  7.0451 1.6564   4.3679  31.755  11.305 17.546  8.4100 14.20905       14.09026 
1 1 1 33 18 7  o 32.791  7.9562 13.728   4.4695  31.711  11.232 33.872  11.272 -2.161116      15.91231 
1 1 1 33 18 9  o 46.692  7.9138 27.984   5.1214  49.377  11.678 44.007  10.684 5.370396       15.82752 
1 1 1 33 18 11 o 25.821  7.6889 5.5681   4.8188  24.008  10.469 27.634  11.264 -3.626289      15.37776 
1 1 1 33 18 13 o 29.323  6.6203 8.2786   2.3863  19.623  6.7350 39.024  11.400 -19.40108      13.24058 
1 1 1 33 18 15 o 38.744  5.8666 18.646   2.5728  43.794  4.2281 33.695  10.945 10.09941       11.73316 
1 1 1 33 18 17 o 43.706  6.1816 23.448   2.9998  46.912  4.6276 40.499  11.464 6.413605       12.36318 
1 1 1 33 18 19 o 37.617  5.2624 15.888   2.1678  37.020  4.1394 38.213  9.6766 -1.193153      10.52476 
1 1 1 33 18 21 o 28.555  5.6872 9.9341   2.1560  27.817  5.9157 29.293  9.7149 -1.475620      11.37433 
1 1 1 33 18 23 o 18.423  5.7014 2.0117   2.3527  14.576  6.3396 22.270  9.4779 -7.693881      11.40271 
1 1 1 33 18 25 o 24.600  5.8235 8.2323   2.4115  26.688  6.7026 22.512  9.5250 4.175648       11.64694 
1 1 1 33 18 27 o 25.820  5.7380 9.8043   2.6583  30.743  6.4380 20.897  9.5000 9.845762       11.47601 
1 1 1 33 19 0  o 82.252  6.5235 71.768   10.599  82.252  6.5235 ?       ?      0.000000       0.000000 
1 1 1 33 19 2  o 47.272  7.0495 27.208   4.5008  48.863  10.745 45.682  9.1285 3.181133       14.09898 
1 1 1 33 19 4  o 38.617  8.1202 19.079   4.7971  30.720  10.829 46.514  12.103 -15.79319      16.24037 
1 1 1 33 19 6  o 43.573  7.1731 23.894   4.6532  54.593  8.8888 32.554  11.261 22.03854       14.34610 
1 1 1 33 19 8  o 40.978  7.0526 21.249   4.0522  41.443  10.094 40.514  9.8524 0.9287605      14.10525 
1 1 1 33 19 10 o 23.871  6.9679 2.0040   4.3956  28.477  10.445 19.264  9.2257 9.213037       13.93575 
1 1 1 33 19 12 o 32.945  5.3611 14.775   1.8175  41.297  2.7830 24.593  10.355 16.70462       10.72230 
1 1 1 33 19 14 o 21.387  6.0040 4.2141   2.4754  20.583  7.1216 22.192  9.6683 -1.608664      12.00805 
1 1 1 33 19 16 o 42.546  5.6260 20.965   2.7065  43.209  4.5809 41.883  10.277 1.326267       11.25202 
1 1 1 33 19 18 o 47.152  5.4805 26.098   2.8640  48.703  4.3264 45.600  10.071 3.102486       10.96091 
1 1 1 33 19 20 o 48.470  4.0690 26.336   2.0710  50.772  2.8925 46.167  7.6066 4.604778       8.137991 
1 1 1 33 19 22 o 21.773  6.0423 5.0852   2.3397  16.338  6.6666 27.209  10.079 -10.87074      12.08462 
1 1 1 33 19 24 o 17.901  5.5834 2.2422   2.4115  15.653  6.6202 20.148  8.9928 -4.495676      11.16676 
1 1 1 33 19 26 o 23.487  6.3209 8.0840   2.5818  21.074  7.3638 25.900  10.276 -4.826283      12.64175 
1 1 1 33 20 1  o 20.064  6.5149 -2.3409  4.2401  20.012  9.1292 20.117  9.2971 -0.1050701     13.02987 
1 1 1 33 20 3  o 28.122  7.7917 6.3004   5.2873  35.091  11.974 21.152  9.9727 13.93947       15.58331 
1 1 1 33 20 5  o 23.540  7.5576 0.5484   5.3522  24.873  11.286 22.206  10.055 2.666819       15.11524 
1 1 1 33 20 7  o 29.771  8.1313 10.624   4.3982  32.509  13.075 27.032  9.6699 5.476885       16.26266 
1 1 1 33 20 9  o 28.625  7.6150 9.2530   4.5653  33.270  10.945 23.981  10.591 9.289467       15.22995 
1 1 1 33 20 11 o 39.235  7.7921 22.041   4.7811  46.454  10.175 32.016  11.804 14.43818       15.58423 
1 1 1 33 20 13 o 36.724  5.4551 16.733   2.2802  41.648  3.9861 31.799  10.156 9.848780       10.91020 
1 1 1 33 20 15 o 30.979  5.5540 12.089   2.3837  35.797  4.9943 26.160  9.9219 9.636986       11.10802 
1 1 1 33 20 17 o 54.038  5.3903 34.687   3.0728  57.362  3.8959 50.714  10.052 6.648548       10.78057 
1 1 1 33 20 19 o 41.816  6.0161 23.432   3.2383  49.673  5.3987 33.959  10.753 15.71432       12.03219 
1 1 1 33 20 21 o 25.694  4.7578 8.5615   1.9988  32.276  4.7479 19.112  8.2465 13.16340       9.515628 
1 1 1 33 20 23 o 28.296  6.0442 10.476   2.3694  22.352  7.1160 34.241  9.7720 -11.88919      12.08838 
1 1 1 33 20 25 o 18.089  5.5184 2.8704   2.5250  18.202  7.1710 17.975  8.3898 0.2278671      11.03685 
1 1 1 33 21 0  o 64.344  7.2015 45.334   9.0668  64.344  7.2015 ?       ?      0.000000       0.000000 
1 1 1 33 21 2  o 48.846  7.3198 29.683   4.6171  49.481  7.4843 48.210  12.582 1.271641       14.63960 
1 1 1 33 21 4  o 34.691  7.1733 15.668   3.7661  37.319  10.043 32.064  10.245 5.254318       14.34665 
1 1 1 33 21 6  o 28.868  7.7287 10.747   4.4197  27.194  11.328 30.541  10.517 -3.346376      15.45744 
1 1 1 33 21 8  o 26.048  7.8414 5.1073   5.5648  21.518  10.213 30.577  11.902 -9.058987      15.68283 
1 1 1 33 21 10 o 19.928  6.7152 -6.5728  5.2927  19.011  9.2201 20.845  9.7655 -1.834320      13.43040 
1 1 1 33 21 12 o 36.967  4.7462 13.801   1.5050  34.434  2.7814 39.500  9.0759 -5.066132      9.492495 
1 1 1 33 21 14 o 22.089  6.1417 4.9803   2.4689  17.940  7.0560 26.237  10.055 -8.296820      12.28345 
1 1 1 33 21 16 o 62.307  4.4106 41.708   2.8727  60.741  3.2587 63.872  8.1973 -3.130299      8.821239 
1 1 1 33 21 18 o 58.817  5.4690 43.003   3.3617  65.324  3.8120 52.311  10.252 13.01249       10.93806 
1 1 1 33 21 20 o 60.999  3.3297 38.941   2.0648  59.438  2.3633 62.560  6.2258 -3.122288      6.659321 
1 1 1 33 21 22 o 22.017  5.7983 6.5853   2.3774  22.544  7.2485 21.490  9.0521 1.053789       11.59662 
1 1 1 33 22 1  o 67.386  5.8948 54.835   5.4919  63.361  9.3719 71.412  7.1530 -8.050694      11.78969 
1 1 1 33 22 3  o 24.966  7.3403 6.5661   4.2770  25.546  10.528 24.387  10.232 1.158363       14.68059 
1 1 1 33 22 5  o 24.334  6.8099 5.3487   3.8416  20.136  9.1899 28.533  10.052 -8.396650      13.61975 
1 1 1 33 22 7  o 31.521  8.1068 14.033   4.6697  35.580  12.199 27.461  10.680 8.119261       16.21350 
1 1 1 33 22 9  o 23.266  7.1599 4.2178   4.4020  23.339  10.215 23.192  10.035 0.1469250      14.31979 
1 1 1 33 22 11 o 22.250  6.7281 2.6936   4.0884  18.948  8.9371 25.552  10.060 -6.603645      13.45614 
1 1 1 33 22 13 o 17.297  5.4172 1.1493   2.0067  12.838  5.6520 21.756  9.2434 -8.918018      10.83448 
1 1 1 33 22 15 o 29.922  5.5264 11.842   2.8410  38.631  5.2891 21.212  9.7052 17.41849       11.05280 
1 1 1 33 22 17 o 19.839  6.0392 2.8865   3.0119  20.012  7.6898 19.665  9.3143 0.3465328      12.07843 
1 1 1 33 22 19 o 22.152  5.9487 5.5933   2.6051  15.857  6.9989 28.446  9.6211 -12.58974      11.89745 
1 1 1 33 22 21 o 19.570  5.2443 4.6528   1.9988  20.458  6.5958 18.683  8.1551 1.774857       10.48851 
1 1 1 33 23 0  o 96.370  5.9435 98.840   11.365  96.370  5.9435 ?       ?      0.000000       0.000000 
1 1 1 33 23 2  o 61.779  5.5547 45.220   4.8224  63.337  8.2665 60.222  7.4217 3.114300       11.10933 
1 1 1 33 23 4  o 47.041  7.1804 29.813   4.7549  40.112  11.198 53.970  8.9913 -13.85846      14.36078 
1 1 1 33 23 6  f 29.311  7.5760 12.004   4.2780  33.602  11.027 25.019  10.391 8.583147       15.15191 
1 1 1 33 23 8  o 23.614  7.3403 4.9286   4.6939  24.352  10.744 22.876  10.005 1.475693       14.68068 
1 1 1 33 23 10 o 21.568  6.2503 0.8684   3.7789  15.881  7.8094 27.255  9.7611 -11.37372      12.50063 
1 1 1 33 23 12 o 15.712  5.1567 0.4846   1.4449  10.381  4.5397 21.044  9.2604 -10.66361      10.31333 
1 1 1 33 23 14 o 16.687  5.5644 -0.3767  2.4482  13.287  5.9729 20.088  9.3901 -6.800878      11.12878 
1 1 1 33 23 16 o 20.792  6.1190 4.5887   2.9359  21.163  7.7943 20.420  9.4349 0.7423649      12.23794 
1 1 1 33 23 18 o 46.301  5.5566 27.346   3.0210  47.307  4.8590 45.295  9.9947 2.011581       11.11320 
1 1 1 33 23 20 o 14.081  4.7836 -0.3464  1.5954  10.056  4.5814 18.106  8.3990 -8.049283      9.567296 
1 1 1 33 24 1  o 26.402  7.7366 9.2896   4.7515  24.341  10.466 28.463  11.397 -4.122105      15.47311 
1 1 1 33 24 3  o 41.453  7.8424 25.668   4.7249  38.315  11.455 44.590  10.714 -6.275219      15.68472 
1 1 1 33 24 5  o 40.170  7.7220 24.733   4.7811  32.489  11.821 47.851  9.9387 -15.36245      15.44393 
1 1 1 33 24 7  o 24.635  7.5488 5.1727   5.2804  20.479  9.7904 28.790  11.493 -8.311541      15.09765 
1 1 1 33 24 9  o 21.891  7.0121 2.8411   4.5127  24.086  10.784 19.695  8.9652 4.391584       14.02421 
1 1 1 33 24 11 o 24.780  7.0015 6.4021   4.3078  31.904  11.166 17.656  8.4501 14.24779       14.00291 
1 1 1 33 24 13 o 21.881  6.1519 5.6662   2.2384  17.965  6.5551 25.797  10.412 -7.832222      12.30379 
1 1 1 33 24 15 o 27.332  5.9928 10.888   2.6494  30.630  6.8446 24.034  9.8389 6.595695       11.98553 
1 1 1 33 24 17 f 20.116  6.0350 4.8488   2.8507  19.690  7.6638 20.541  9.3247 -0.8505249     12.06997 
1 1 1 33 25 0  o 49.080  10.171 30.648   8.8114  49.080  10.171 ?       ?      0.000000       0.000000 
1 1 1 33 25 2  o 48.299  7.4560 33.956   5.0151  43.183  12.092 53.415  8.7262 -10.23174      14.91198 
1 1 1 33 25 4  o 31.509  8.0566 16.661   4.7879  27.484  11.195 35.534  11.589 -8.049431      16.11322 
1 1 1 33 25 6  o 29.084  8.2157 14.968   5.3313  24.815  10.946 33.353  12.254 -8.538118      16.43131 
1 1 1 33 25 8  o 32.710  8.1356 19.424   4.6146  33.397  12.190 32.023  10.778 1.373379       16.27121 
1 1 1 33 25 10 o 45.784  7.3855 32.966   4.7596  39.241  12.302 52.328  8.1754 -13.08711      14.77096 
1 1 1 33 25 12 o 62.125  3.5507 43.460   2.2095  65.172  2.3513 59.078  6.7009 6.094257       7.101424 
1 1 1 33 25 14 o 41.499  5.7328 25.459   2.5105  51.553  3.4679 31.445  10.929 20.10813       11.46560 
1 1 1 33 26 1  o 19.630  6.5208 0.2274   4.5552  19.253  8.8651 20.008  9.5652 -0.7550011     13.04157 
1 1 1 33 26 3  o 21.618  6.9136 3.9353   4.4758  18.170  8.5432 25.067  10.872 -6.896482      13.82730 
1 1 1 33 26 5  o 26.438  7.3416 11.458   4.1820  22.707  9.8557 30.170  10.884 -7.462364      14.68313 
1 1 1 33 26 7  o 33.555  7.8353 20.268   4.4374  37.458  11.029 29.651  11.133 7.807707       15.67067 
1 1 1 33 26 9  o 45.620  6.7321 30.761   4.1667  49.412  9.7809 41.827  9.2529 7.585613       13.46413 
1 1 1 33 26 11 o 50.913  6.9352 39.711   4.7036  46.674  11.652 55.153  7.5250 -8.479481      13.87041 
1 1 1 33 27 0  f 17.296  11.867 3.5756   12.515  17.296  11.867 ?       ?      0.000000       0.000000 
1 1 1 33 27 2  o 21.675  6.8974 5.9218   4.2505  24.548  10.793 18.803  8.5916 5.744682       13.79490 
1 1 1 33 27 4  o 18.642  6.3036 -0.9450  4.6858  19.066  9.2384 18.218  8.5788 0.8479786      12.60729 
1 1 1 33 27 6  o 25.752  7.8741 13.608   4.9059  28.594  12.346 22.911  9.7764 5.682899       15.74823 
1 1 1 34 1  1  o 67.985  2.3035 46.677   2.1987  65.760  3.4955 70.210  3.0011 -4.449677      4.607047 
1 1 1 34 1  3  o 58.483  2.5575 34.340   2.0761  59.410  3.9765 57.555  3.2172 1.855541       5.114996 
1 1 1 34 1  5  o 41.674  3.8835 17.303   2.2348  45.674  5.8714 37.674  5.0845 8.000473       7.766942 
1 1 1 34 1  7  o 84.495  2.0329 71.665   2.4112  85.703  3.0546 83.288  2.6832 2.415222       4.065709 
1 1 1 34 1  9  o 90.894  2.0505 83.071   2.5789  91.107  3.2238 90.681  2.5348 0.4256668      4.101022 
1 1 1 34 1  11 o 97.845  2.0398 96.154   2.7731  98.656  3.1713 97.034  2.5663 1.622681       4.079569 
1 1 1 34 1  13 o 90.280  2.0552 82.235   2.5193  89.751  3.3437 90.809  2.3906 -1.058266      4.110396 
1 1 1 34 1  15 o 45.480  3.3918 21.641   2.0761  41.922  5.6354 49.038  3.7760 -7.116405      6.783520 
1 1 1 34 1  17 o 60.022  2.9822 36.683   2.3086  60.049  5.1038 59.994  3.0864 0.5556488E-01  5.964484 
1 1 1 34 1  19 o 86.704  2.8107 75.330   2.9654  88.776  4.9627 84.633  2.6405 4.143387       5.621461 
1 1 1 34 1  21 o 60.163  2.5515 36.800   2.1409  62.535  3.8800 57.791  3.3146 4.743504       5.102980 
1 1 1 34 1  23 o 52.205  2.9253 28.409   2.1347  54.917  3.7206 49.493  4.5153 5.423321       5.850686 
1 1 1 34 1  25 o 19.160  5.2057 2.9970   2.0352  16.279  6.8672 22.040  7.8256 -5.760445      10.41148 
1 1 1 34 1  27 o 25.988  5.6186 8.1243   2.2447  23.457  7.6210 28.518  8.2581 -5.060823      11.23727 
1 1 1 34 1  29 o 18.733  4.9238 3.5118   1.7878  16.676  6.7942 20.790  7.1285 -4.114180      9.847652 
1 1 1 34 1  31 o 28.763  5.0229 10.082   2.0253  25.782  7.0019 31.743  7.2036 -5.961134      10.04583 
1 1 1 34 1  33 o 16.840  5.2251 1.2921   2.4246  18.462  7.8109 15.219  6.9423 3.243233       10.45020 
1 1 1 34 2  0  o 89.464  2.7894 80.452   4.9803  89.464  2.7894 ?       ?      0.000000       0.000000 
1 1 1 34 2  2  o 69.014  2.1261 47.878   2.0746  69.471  3.0330 68.557  2.9803 0.9137344      4.252250 
1 1 1 34 2  4  o 58.803  2.4566 34.759   2.0352  60.186  3.6070 57.419  3.3360 2.766918       4.913199 
1 1 1 34 2  6  o 38.403  3.9878 15.548   2.0113  35.708  6.6847 41.097  4.3502 -5.389454      7.975509 
1 1 1 34 2  8  o 36.945  3.8773 13.733   1.9256  38.420  6.3152 35.471  4.5002 2.949574       7.754595 
1 1 1 34 2  10 o 81.761  2.0928 66.966   2.3225  82.842  3.3913 80.680  2.4534 2.162384       4.185677 
1 1 1 34 2  12 o 54.221  2.6669 29.369   1.9933  56.772  4.1614 51.671  3.3364 5.100266       5.333712 
1 1 1 34 2  14 o 46.906  3.3469 22.704   2.0318  45.609  5.7398 48.202  3.4440 -2.593586      6.693807 
1 1 1 34 2  16 o 51.309  3.3773 28.029   2.1044  47.531  6.0451 55.087  3.0136 -7.556602      6.754634 
1 1 1 34 2  18 o 58.955  2.6563 35.294   2.0789  58.836  2.9301 59.073  4.4316 -0.2369499     5.312637 
1 1 1 34 2  20 o 39.375  3.8057 16.172   2.0761  39.105  4.7351 39.645  5.9591 -0.5399895     7.611324 
1 1 1 34 2  22 o 47.519  3.0398 23.357   2.0352  46.352  4.1325 48.686  4.4591 -2.333160      6.079535 
1 1 1 34 2  24 o 29.975  4.9107 10.224   1.9933  29.248  6.0948 30.701  7.7014 -1.453722      9.821349 
1 1 1 34 2  26 o 22.265  4.9833 5.5094   1.7513  18.733  6.5825 25.797  7.4837 -7.064730      9.966674 
1 1 1 34 2  28 o 29.855  5.0477 10.622   2.0993  30.714  6.6330 28.997  7.6106 1.716537       10.09548 
1 1 1 34 2  30 o 25.831  6.0250 8.6661   2.5397  24.514  8.1948 27.148  8.8343 -2.634085      12.04990 
1 1 1 34 2  32 o 14.961  4.6314 0.6818   1.8701  14.993  6.4264 14.928  6.6708 0.6462574E-01  9.262760 
1 1 1 34 2  34 o 39.911  4.4983 19.401   2.4640  35.745  6.4913 44.077  6.2291 -8.331345      8.996553 
1 1 1 34 3  1  o 125.479 1.7993 157.961  3.1874  126.782 2.6188 124.176 2.4681 2.606133       3.598609 
1 1 1 34 3  3  o 37.398  3.0777 14.075   1.6125  38.720  4.6173 36.077  4.0707 2.642845       6.155485 
1 1 1 34 3  5  f 68.316  2.1857 47.048   2.1051  66.994  3.2405 69.638  2.9340 -2.644058      4.371411 
1 1 1 34 3  7  o 86.206  1.9665 74.489   2.3735  87.901  2.9782 84.511  2.5688 3.389923       3.932978 
1 1 1 34 3  9  f 116.157 1.8380 135.912  2.9792  114.624 2.8409 117.690 2.3329 -3.066025      3.676038 
1 1 1 34 3  11 o 68.928  2.0410 47.756   1.8590  69.068  3.4205 68.789  2.2277 0.2783203      4.081974 
1 1 1 34 3  13 o 102.077 1.8289 104.581  2.5618  102.863 2.9175 101.291 2.2063 1.571907       3.657763 
1 1 1 34 3  15 o 73.547  2.1340 53.651   2.0987  76.741  3.4945 70.353  2.4504 6.387596       4.268068 
1 1 1 34 3  17 o 92.993  1.8708 87.087   2.4479  91.945  2.5000 94.040  2.7838 -2.095345      3.741566 
1 1 1 34 3  19 o 69.876  2.3202 48.810   2.2543  64.901  3.0498 74.851  3.4975 -9.949692      4.640431 
1 1 1 34 3  21 o 21.604  5.2531 4.8466   1.9986  23.607  7.1941 19.600  7.6566 4.006666       10.50613 
1 1 1 34 3  23 o 28.272  4.9580 9.1615   1.9608  27.516  7.6291 29.028  6.3343 -1.511375      9.915998 
1 1 1 34 3  25 f 22.066  5.4041 5.1404   2.1385  25.021  7.6842 19.111  7.6008 5.909657       10.80829 
1 1 1 34 3  27 o 19.013  5.3471 2.9878   2.1540  16.792  7.0269 21.234  8.0617 -4.442415      10.69428 
1 1 1 34 3  29 o 31.308  4.7768 11.621   2.1071  26.299  7.5901 36.318  5.8017 -10.01863      9.553554 
1 1 1 34 3  31 o 28.458  5.0231 10.104   2.0746  23.552  7.6184 33.365  6.5486 -9.812920      10.04610 
1 1 1 34 3  33 o 31.809  4.2960 11.781   1.7921  29.987  4.8973 33.631  7.0597 -3.643888      8.592066 
1 1 1 34 4  0  o 154.761 2.7662 240.333  8.5560  154.761 2.7662 ?       ?      0.000000       0.000000 
1 1 1 34 4  2  o 101.382 1.8299 103.337  2.6116  100.447 2.7334 102.317 2.4338 -1.870041      3.659848 
1 1 1 34 4  4  o 80.253  1.8956 64.906   2.1271  78.871  2.9144 81.635  2.4247 -2.764336      3.791144 
1 1 1 34 4  6  o 157.944 1.8648 250.558  4.1149  158.497 2.8602 157.391 2.3935 1.105408       3.729595 
1 1 1 34 4  8  o 119.899 1.7237 144.803  2.8880  117.836 2.6551 121.963 2.1988 -4.127441      3.447368 
1 1 1 34 4  10 o 79.958  1.9273 64.292   2.1540  79.958  2.9546 79.958  2.4755 -0.7629395E-04 3.854619 
1 1 1 34 4  12 o 35.763  3.5415 12.491   1.5463  38.178  6.1880 33.348  3.4464 4.829815       7.083047 
1 1 1 34 4  14 o 83.223  1.9646 69.193   2.2348  80.950  2.3663 85.496  3.1367 -4.546227      3.929124 
1 1 1 34 4  16 o 40.895  3.1693 17.096   1.7923  40.854  3.9073 40.936  4.9912 -0.8275604E-01 6.338673 
1 1 1 34 4  18 o 39.927  3.1254 16.281   1.7274  39.413  3.8881 40.440  4.8945 -1.027332      6.250895 
1 1 1 34 4  20 o 28.262  4.8950 8.9803   1.9773  23.927  7.3222 32.596  6.4986 -8.668715      9.790091 
1 1 1 34 4  22 o 19.351  5.0252 3.3841   1.8429  16.498  6.6892 22.205  7.5010 -5.707890      10.05042 
1 1 1 34 4  24 o 17.626  4.9402 2.0453   1.9134  19.790  7.2072 15.462  6.7588 4.327971       9.880493 
1 1 1 34 4  26 o 18.363  5.1388 2.4519   2.0746  15.476  6.8149 21.251  7.6931 -5.774839      10.27754 
1 1 1 34 4  28 o 22.186  5.2947 5.6959   1.9256  22.166  6.6646 22.207  8.2291 -0.4129601E-01 10.58939 
1 1 1 34 4  30 o 21.236  5.1752 5.1897   1.9427  24.537  7.5732 17.934  7.0552 6.603014       10.35036 
1 1 1 34 4  32 o 23.022  5.7158 6.9395   2.4246  27.014  8.3653 19.031  7.7912 7.983204       11.43157 
1 1 1 34 4  34 o 15.476  4.7497 1.3210   1.9469  14.253  6.4112 16.700  7.0096 -2.446384      9.499345 
1 1 1 34 5  1  o 67.012  1.9250 45.186   1.8147  66.375  2.8859 67.650  2.5484 -1.274940      3.850009 
1 1 1 34 5  3  f 54.321  2.2052 29.468   1.6625  56.269  3.4042 52.373  2.8041 3.896721       4.410359 
1 1 1 34 5  5  o 136.428 1.7044 186.908  3.2880  134.702 2.4175 138.154 2.4033 -3.451965      3.408789 
1 1 1 34 5  7  o 142.110 1.7873 202.657  3.5346  142.893 2.7704 141.328 2.2589 1.564621       3.574645 
1 1 1 34 5  9  o 41.536  2.7708 17.823   1.5116  39.301  4.7115 43.771  2.9175 -4.469173      5.541627 
1 1 1 34 5  11 o 35.978  3.0606 12.812   1.5116  32.536  3.9249 39.419  4.6974 -6.883003      6.121293 
1 1 1 34 5  13 o 51.861  2.3640 27.030   1.6861  50.835  2.8889 52.886  3.7427 -2.051422      4.727934 
1 1 1 34 5  15 f 46.834  2.6672 22.227   1.7274  46.450  3.2991 47.218  4.1920 -0.7681084     5.334461 
1 1 1 34 5  17 o 67.160  2.1729 46.282   1.9702  70.216  2.4552 64.105  3.5857 6.110565       4.345739 
1 1 1 34 5  19 o 49.340  2.5282 24.732   1.7274  48.623  3.1516 50.058  3.9542 -1.434593      5.056489 
1 1 1 34 5  21 o 28.150  4.2194 8.9784   1.6503  22.714  7.0990 33.586  4.5627 -10.87162      8.438882 
1 1 1 34 5  23 o 26.737  4.9301 8.2205   1.8787  26.297  6.7619 27.177  7.1763 -0.8799076     9.860127 
1 1 1 34 5  25 o 38.748  4.4084 16.559   2.2776  38.692  5.1157 38.805  7.1810 -0.1128731     8.816878 
1 1 1 34 5  27 o 17.110  5.1501 1.1311   2.2183  17.781  7.2569 16.439  7.3097 1.341658       10.30024 
1 1 1 34 5  29 o 13.296  4.4047 -3.2660  2.1051  11.580  5.6185 15.013  6.7851 -3.433710      8.809417 
1 1 1 34 5  31 o 44.624  3.6628 22.328   2.2968  42.690  5.5340 46.557  4.8000 -3.867470      7.325667 
1 1 1 34 5  33 o 29.100  5.7428 11.899   2.4379  29.155  7.5915 29.045  8.6192 0.1105042      11.48570 
1 1 1 34 6  0  o 87.801  2.2577 77.387   3.9587  87.801  2.2577 ?       ?      0.000000       0.000000 
1 1 1 34 6  2  f 36.443  2.2292 13.338   1.1458  38.180  3.1775 34.706  3.1276 3.474480       4.458497 
1 1 1 34 6  4  o 96.400  1.5708 93.109   2.1271  97.599  2.3552 95.201  2.0791 2.398178       3.141587 
1 1 1 34 6  6  o 113.461 1.7142 129.212  2.7322  113.961 2.5773 112.961 2.2610 1.000618       3.428482 
1 1 1 34 6  8  o 93.639  1.7850 87.954   2.2566  93.241  2.0544 94.037  2.9197 -0.7964554     3.569989 
1 1 1 34 6  10 o 81.741  1.9090 67.186   2.0013  81.746  1.9527 81.737  3.2809 0.9529114E-02  3.818058 
1 1 1 34 6  12 o 65.556  1.9438 43.181   1.7513  65.038  2.3562 66.073  3.0923 -1.035339      3.887692 
1 1 1 34 6  14 o 27.520  3.9770 8.1049   1.4672  29.385  4.3458 25.655  6.6619 3.729998       7.954068 
1 1 1 34 6  16 o 62.424  2.1050 39.435   1.8429  62.931  2.7394 61.917  3.1968 1.014095       4.209988 
1 1 1 34 6  18 o 93.780  2.0663 88.843   2.5586  93.603  2.2511 93.957  3.4658 -0.3537521     4.132694 
1 1 1 34 6  20 o 49.309  2.8490 25.122   1.9711  49.864  3.7135 48.755  4.3217 1.108662       5.697995 
1 1 1 34 6  22 o 25.604  5.2438 7.5583   2.0113  26.823  6.6822 24.386  8.0833 2.436916       10.48770 
1 1 1 34 6  24 o 16.666  4.8445 1.0823   1.9344  18.596  7.0268 14.736  6.6708 3.860746       9.688962 
1 1 1 34 6  26 o 22.333  5.2131 5.7465   1.9070  20.802  7.1288 23.863  7.6084 -3.060678      10.42627 
1 1 1 34 6  28 f 37.545  4.1513 15.696   2.1987  37.391  5.6353 37.699  6.0974 -0.3078613     8.302640 
1 1 1 34 6  30 o 18.375  5.3589 2.3616   2.3196  15.309  6.8577 21.440  8.2367 -6.130957      10.71776 
1 1 1 34 6  32 o 26.600  5.6749 9.5741   2.2951  23.344  7.6210 29.856  8.4105 -6.512648      11.34973 
1 1 1 34 7  1  o 162.853 1.8023 266.512  4.1503  164.421 2.5242 161.285 2.5733 3.136612       3.604601 
1 1 1 34 7  3  o 99.893  1.4927 100.145  2.1051  99.436  2.1832 100.351 2.0361 -0.9147949     2.985317 
1 1 1 34 7  5  o 71.773  1.7250 52.406   1.6192  73.926  1.8138 69.621  2.9348 4.304352       3.450022 
1 1 1 34 7  7  o 72.748  1.5406 53.270   1.5324  73.488  1.8246 72.009  2.4828 1.479393       3.081128 
1 1 1 34 7  9  o 65.040  1.6802 42.269   1.4898  63.914  1.9980 66.166  2.7020 -2.251644      3.360487 
1 1 1 34 7  11 o 76.443  1.8205 58.778   1.9050  76.388  2.1733 76.498  2.9213 -0.1105042     3.641049 
1 1 1 34 7  13 o 117.334 1.6601 138.331  2.7218  116.663 2.1345 118.005 2.5431 -1.341263      3.320146 
1 1 1 34 7  15 o 73.449  1.9069 54.186   1.9608  71.556  2.4985 75.342  2.8814 -3.786224      3.813802 
1 1 1 34 7  17 o 62.523  2.0253 39.482   1.7787  62.112  2.6728 62.933  3.0437 -0.8211479     4.050673 
1 1 1 34 7  19 o 102.291 2.0281 105.816  2.8263  101.085 2.4003 103.497 3.2697 -2.412102      4.056175 
1 1 1 34 7  21 o 83.137  1.9078 70.285   2.2275  84.398  2.4966 81.875  2.8854 2.523148       3.815584 
1 1 1 34 7  23 o 16.135  4.6375 1.5963   1.6601  15.573  6.4709 16.697  6.6448 -1.123838      9.274995 
1 1 1 34 7  25 o 32.052  5.4494 13.610   2.3610  40.064  4.1437 24.041  10.080 16.02240       10.89889 
1 1 1 34 7  27 o 34.809  4.6424 14.340   2.1540  40.170  4.9274 29.448  7.8695 10.72263       9.284841 
1 1 1 34 7  29 o 39.250  4.4056 18.435   2.1469  45.221  4.0947 33.279  7.8019 11.94239       8.811138 
1 1 1 34 7  31 o 23.697  5.8238 7.5633   2.3429  21.355  7.5910 26.040  8.8343 -4.685209      11.64767 
1 1 1 34 7  33 o 19.361  4.7601 3.6786   1.9773  25.408  7.2062 13.314  6.2212 12.09393       9.520121 
1 1 1 34 8  0  o 67.673  5.8385 47.377   7.7898  67.673  5.8385 ?       ?      0.000000       0.000000 
1 1 1 34 8  2  o 107.847 1.8444 116.775  2.7964  108.727 2.7601 106.966 2.4474 1.760681       3.688871 
1 1 1 34 8  4  f 41.593  2.5927 16.745   1.4366  46.014  4.1629 37.173  3.0918 8.840889       5.185471 
1 1 1 34 8  6  o 129.034 2.1872 167.700  3.9884  125.396 3.1061 132.671 3.0801 -7.275330      4.374323 
1 1 1 34 8  8  o 136.453 1.8655 185.511  3.4616  132.461 2.2173 140.445 3.0006 -7.984314      3.730943 
1 1 1 34 8  10 o 127.162 1.6731 161.615  2.9521  123.936 2.1123 130.389 2.5954 -6.453163      3.346296 
1 1 1 34 8  12 o 16.932  4.1963 2.5835   1.1460  14.974  5.0408 18.890  6.7101 -3.915885      8.392557 
1 1 1 34 8  14 o 19.945  4.1944 4.1954   1.2708  20.989  5.1932 18.901  6.5881 2.088045       8.388853 
1 1 1 34 8  16 o 25.792  4.2630 7.5037   1.4711  29.821  3.8540 21.762  7.6052 8.058794       8.526016 
1 1 1 34 8  18 o 66.296  1.9272 44.745   1.7673  67.644  2.3598 64.949  3.0476 2.695000       3.854400 
1 1 1 34 8  20 o 79.019  2.0127 63.438   2.2056  79.004  2.5054 79.033  3.1508 -0.2967072E-01 4.025480 
1 1 1 34 8  22 o 43.754  2.7970 19.794   1.7027  43.276  3.5410 44.233  4.3305 -0.9567413     5.593968 
1 1 1 34 8  24 f 18.660  5.0981 2.6452   1.9986  14.875  6.5194 22.445  7.8397 -7.569268      10.19628 
1 1 1 34 8  26 o 25.327  4.9223 7.5982   1.8517  28.246  6.6567 22.407  7.2529 5.839756       9.844607 
1 1 1 34 8  28 o 21.740  5.6597 5.5639   2.2968  22.113  7.9310 21.367  8.0764 0.7460232      11.31942 
1 1 1 34 8  30 o 40.733  4.2928 19.615   2.2951  43.804  4.6645 37.662  7.2080 6.141560       8.585616 
1 1 1 34 8  32 o 27.659  5.7776 10.888   2.4545  30.912  8.1467 24.405  8.1948 6.506674       11.55524 
1 1 1 34 9  1  o 102.502 3.5720 107.368  4.9931  101.667 5.7779 103.337 4.2016 -1.669052      7.144083 
1 1 1 34 9  3  o 139.339 3.2225 194.975  6.2182  132.079 4.1091 146.600 4.9652 -14.52066      6.445001 
1 1 1 34 9  5  o 121.279 2.7380 147.603  4.4176  118.737 3.0652 123.821 4.5379 -5.084427      5.476080 
1 1 1 34 9  7  o 96.280  2.1108 93.477   2.8733  94.953  3.0260 97.606  2.9437 -2.652718      4.221637 
1 1 1 34 9  9  o 111.502 2.2078 125.539  3.4796  108.849 3.1676 114.155 3.0763 -5.305855      4.415619 
1 1 1 34 9  11 o 101.469 1.9572 103.650  2.8036  98.959  2.7099 103.979 2.8247 -5.019875      3.914446 
1 1 1 34 9  13 o 20.540  4.5453 4.2603   1.3477  19.547  5.1528 21.534  7.4893 -1.986441      9.090685 
1 1 1 34 9  15 o 26.371  4.0222 7.1901   1.3992  22.610  5.1900 30.132  6.1461 -7.521557      8.044340 
1 1 1 34 9  17 o 33.575  3.4187 11.543   1.5975  30.157  4.6580 36.993  5.0054 -6.836166      6.837462 
1 1 1 34 9  19 o 46.544  2.7979 22.307   1.7744  46.496  3.2958 46.593  4.5223 -0.9611893E-01 5.595840 
1 1 1 34 9  21 o 81.487  2.0388 68.021   2.3196  84.062  2.5825 78.912  3.1556 5.150307       4.077676 
1 1 1 34 9  23 o 66.266  2.4091 45.323   2.2056  67.255  2.9431 65.276  3.8148 1.979240       4.818151 
1 1 1 34 9  25 o 17.125  5.0055 0.8726   2.0993  13.339  6.1901 20.910  7.8678 -7.571634      10.01101 
1 1 1 34 9  27 o 21.560  5.3608 5.4492   2.0412  20.588  7.6608 22.533  7.5010 -1.944721      10.72158 
1 1 1 34 9  29 o 37.411  4.2825 16.009   2.2555  36.265  5.8102 38.557  6.2928 -2.292393      8.564910 
1 1 1 34 9  31 o 23.909  5.2740 7.6049   2.1347  19.445  7.7186 28.373  7.1892 -8.928875      10.54804 
1 1 1 34 10 0  o 67.978  5.8111 47.888   7.7898  67.978  5.8111 ?       ?      0.000000       0.000000 
1 1 1 34 10 2  o 124.525 3.5373 158.529  6.2174  124.553 5.1776 124.497 4.8210 0.5623627E-01  7.074562 
1 1 1 34 10 4  o 82.405  3.4391 69.545   3.9781  80.794  5.2159 84.016  4.4839 -3.221519      6.878273 
1 1 1 34 10 6  o 21.800  5.4064 3.7184   1.2014  19.451  3.7445 24.149  10.144 -4.697859      10.81285 
1 1 1 34 10 8  o 55.420  3.4291 30.838   2.0170  54.596  2.5729 56.245  6.3572 -1.648945      6.858161 
1 1 1 34 10 10 o 76.229  3.1369 59.894   2.5961  77.635  2.3851 74.823  5.8028 2.811974       6.273806 
1 1 1 34 10 12 o 37.957  5.8716 16.003   3.0169  36.813  7.5445 39.100  8.9991 -2.287209      11.74319 
1 1 1 34 10 14 o 51.671  2.1646 26.614   1.4855  49.834  2.4344 53.507  3.5799 -3.673019      4.329190 
1 1 1 34 10 16 o 43.182  2.7455 19.096   1.6208  42.915  3.2732 43.449  4.4087 -0.5338745     5.490927 
1 1 1 34 10 18 o 59.715  2.3062 35.976   1.9050  56.803  2.9226 62.628  3.5683 -5.825207      4.612419 
1 1 1 34 10 20 o 46.893  2.9114 23.073   1.8398  48.657  3.2806 45.128  4.8105 3.528473       5.822701 
1 1 1 34 10 22 o 48.997  3.0682 25.101   2.0761  49.327  3.7539 48.667  4.8543 0.6595192      6.136479 
1 1 1 34 10 24 o 37.466  3.6949 15.167   1.9427  38.545  4.8039 36.386  5.6154 2.158630       7.389843 
1 1 1 34 10 26 o 13.513  4.4715 -2.6121  2.0587  12.116  5.6964 14.911  6.8942 -2.794522      8.943075 
1 1 1 34 10 28 o 22.700  5.4308 6.3850   2.0746  22.707  7.6210 22.693  7.7392 0.1360703E-01  10.86164 
1 1 1 34 10 30 o 18.012  5.3633 2.5830   2.3940  16.061  7.2205 19.963  7.9324 -3.902018      10.72653 
1 1 1 34 10 32 f 19.770  5.9507 4.1987   2.7785  24.065  9.6336 15.475  6.9885 8.589316       11.90149 
1 1 1 34 11 1  o 52.875  5.9370 30.326   4.2742  46.455  9.2621 59.295  7.4301 -12.84010      11.87403 
1 1 1 34 11 3  o 106.280 3.5895 115.784  5.3937  105.246 5.0354 107.314 5.1169 -2.067299      7.179007 
1 1 1 34 11 5  o 57.248  4.8696 34.440   3.9265  59.892  6.5032 54.605  7.2497 5.286652       9.739114 
1 1 1 34 11 7  o 46.697  7.9915 25.191   4.9834  47.647  13.030 45.747  9.2561 1.900047       15.98300 
1 1 1 34 11 9  o 33.357  5.4541 10.072   1.7814  27.862  4.1250 38.851  10.098 -10.98939      10.90820 
1 1 1 34 11 11 o 28.975  5.7633 8.6542   2.1218  25.911  6.0231 32.039  9.8277 -6.127825      11.52656 
1 1 1 34 11 13 o 35.408  5.5396 14.302   2.3397  38.791  4.4442 32.025  10.149 6.765759       11.07911 
1 1 1 34 11 15 o 47.118  4.7817 25.975   1.6916  52.068  2.0847 42.167  9.3334 9.901081       9.563391 
1 1 1 34 11 17 o 70.517  3.2467 52.289   2.2475  72.385  2.1170 68.649  6.1386 3.735840       6.493427 
1 1 1 34 11 19 o 52.851  3.2435 28.731   1.9989  52.169  2.8150 53.532  5.8445 -1.363213      6.487060 
1 1 1 34 11 21 o 36.116  4.8826 13.792   2.0841  33.459  4.5799 38.772  8.6245 -5.312145      9.765160 
1 1 1 34 11 23 o 18.529  5.4767 2.3088   2.1692  16.499  6.6158 20.560  8.7296 -4.060909      10.95330 
1 1 1 34 11 25 o 17.141  5.3885 -0.5266  2.4437  12.418  5.8951 21.864  9.0218 -9.445700      10.77705 
1 1 1 34 11 27 o 23.121  5.9034 6.4489   2.4312  19.935  7.6002 26.308  9.0354 -6.372795      11.80685 
1 1 1 34 11 29 o 17.157  5.3522 1.1736   2.5297  17.350  7.1921 16.965  7.9283 0.3854656      10.70440 
1 1 1 34 11 31 o 22.208  6.0649 6.8748   2.6462  22.904  7.3733 21.512  9.6316 1.392191       12.12980 
1 1 1 34 12 0  o 135.941 4.8987 187.848  13.281  135.941 4.8987 ?       ?      0.000000       0.000000 
1 1 1 34 12 2  f 106.065 3.3764 116.035  4.9958  101.044 5.2449 111.086 4.2534 -10.04236      6.752769 
1 1 1 34 12 4  o 113.376 3.5816 132.158  5.6631  113.131 5.5311 113.621 4.5519 -0.4898529     7.163254 
1 1 1 34 12 6  o 68.370  4.0491 48.908   3.8416  65.054  6.3797 71.687  4.9879 -6.632530      8.098131 
1 1 1 34 12 8  o 41.633  6.9226 20.084   4.1122  49.700  8.9325 33.567  10.578 16.13314       13.84517 
1 1 1 34 12 10 o 45.086  4.2333 17.892   2.0192  36.653  3.6583 53.519  7.6355 -16.86623      8.466584 
1 1 1 34 12 12 o 20.177  5.9324 2.2575   2.1865  17.407  6.4107 22.947  9.9838 -5.540073      11.86475 
1 1 1 34 12 14 o 29.208  6.1190 9.7549   2.5100  29.925  6.3769 28.491  10.445 1.434399       12.23792 
1 1 1 34 12 16 f 31.248  5.7576 11.302   1.8284  34.072  3.3731 28.424  11.010 5.648788       11.51527 
1 1 1 34 12 18 o 46.473  4.8374 23.874   2.2095  48.044  3.1896 44.901  9.1338 3.142879       9.674724 
1 1 1 34 12 20 o 30.182  5.3204 10.513   1.9742  32.236  4.3576 28.129  9.7077 4.106928       10.64089 
1 1 1 34 12 22 o 23.084  5.8780 5.7683   2.1678  22.073  6.5062 24.096  9.7915 -2.022951      11.75599 
1 1 1 34 12 24 o 19.946  5.8534 3.0186   2.2823  18.551  6.5760 21.342  9.6852 -2.791145      11.70674 
1 1 1 34 12 26 o 20.717  6.0669 3.9932   2.3503  16.714  6.6469 24.721  10.151 -8.007305      12.13384 
1 1 1 34 12 28 o 15.259  4.8821 -0.1003  2.1691  13.514  6.1597 17.005  7.5760 -3.490496      9.764117 
1 1 1 34 12 30 o 17.636  5.3092 2.2403   2.4437  18.875  7.3237 16.397  7.6885 2.477587       10.61842 
1 1 1 34 13 1  o 125.669 3.4310 162.303  6.0976  125.332 4.8398 126.007 4.8645 -0.6748352     6.862021 
1 1 1 34 13 3  o 84.997  3.9572 74.935   4.7549  85.684  5.6634 84.310  5.5285 1.374031       7.914459 
1 1 1 34 13 5  o 82.181  4.2307 70.352   4.8958  83.849  6.2443 80.512  5.7100 3.336494       8.461348 
1 1 1 34 13 7  o 63.948  5.0008 43.551   4.4831  62.843  7.6203 65.052  6.4780 -2.209770      10.00168 
1 1 1 34 13 9  o 24.759  7.2724 3.4208   4.1987  27.142  10.867 22.375  9.6674 4.766855       14.54484 
1 1 1 34 13 11 o 23.974  5.9307 5.3684   1.9597  19.348  6.1629 28.600  10.135 -9.251272      11.86145 
1 1 1 34 13 13 o 41.608  6.0788 20.763   2.5941  45.913  3.8940 37.303  11.517 8.609489       12.15768 
1 1 1 34 13 15 o 27.564  5.2308 8.7256   2.0992  31.341  5.0933 23.788  9.1380 7.552380       10.46158 
1 1 1 34 13 17 o 20.108  5.3277 3.5307   1.5828  18.393  5.2776 21.824  9.2567 -3.431229      10.65545 
1 1 1 34 13 19 o 36.652  5.9398 15.835   2.2107  39.144  3.7517 34.160  11.272 4.984093       11.87962 
1 1 1 34 13 21 o 34.700  4.8974 14.237   2.0140  37.935  4.0396 31.465  8.9230 6.469555       9.794850 
1 1 1 34 13 23 o 29.641  5.0546 10.738   2.0987  33.825  5.0966 25.456  8.7304 8.369251       10.10915 
1 1 1 34 13 25 o 23.224  6.4012 5.9983   2.4981  21.656  6.8533 24.792  10.814 -3.135550      12.80240 
1 1 1 34 13 27 o 22.101  6.2501 5.9714   2.5360  18.681  7.1240 25.522  10.272 -6.841026      12.50024 
1 1 1 34 13 29 o 27.108  5.5638 10.419   2.2843  30.548  5.8522 23.668  9.4644 6.879522       11.12757 
1 1 1 34 14 0  f 108.115 5.6430 120.166  12.132  108.115 5.6430 ?       ?      0.000000       0.000000 
1 1 1 34 14 2  o 62.175  6.3540 43.393   5.0156  58.616  10.972 65.733  6.4110 -7.117081      12.70797 
1 1 1 34 14 4  o 57.248  5.9654 36.453   4.4039  60.402  6.2368 54.094  10.171 6.308361       11.93089 
1 1 1 34 14 6  o 32.165  6.9021 11.899   3.4467  29.450  9.8079 34.879  9.7140 -5.429258      13.80420 
1 1 1 34 14 8  o 26.697  7.8746 4.8502   4.9665  26.083  11.329 27.311  10.940 -1.227873      15.74928 
1 1 1 34 14 10 o 56.371  6.3343 36.800   4.2943  53.678  11.299 59.064  5.7295 -5.386086      12.66867 
1 1 1 34 14 12 o 43.912  4.5849 21.376   2.2275  46.276  3.5874 41.547  8.4389 4.729561       9.169771 
1 1 1 34 14 14 o 52.530  5.3373 29.673   2.8531  51.852  3.8173 53.208  9.9686 -1.356026      10.67453 
1 1 1 34 14 16 o 55.215  3.8782 33.014   2.7785  57.646  3.9875 52.785  6.6530 4.861652       7.756454 
1 1 1 34 14 18 o 32.549  5.7306 12.920   1.9025  36.471  3.3264 28.627  10.968 7.843315       11.46123 
1 1 1 34 14 20 o 31.427  5.9393 11.844   2.2028  33.551  4.3771 29.303  11.043 4.247763       11.87867 
1 1 1 34 14 22 o 19.884  5.2395 3.3521   2.1424  22.138  6.6663 17.629  8.0851 4.508410       10.47896 
1 1 1 34 14 24 o 18.488  5.3125 2.2986   2.1949  19.271  6.7233 17.704  8.2272 1.566895       10.62496 
1 1 1 34 14 26 o 18.981  5.8583 2.7456   2.5952  15.371  6.7385 22.591  9.5850 -7.220037      11.71666 
1 1 1 34 14 28 o 17.060  5.5592 0.4138   2.8656  15.804  6.9842 18.317  8.6509 -2.512825      11.11830 
1 1 1 34 15 1  o 123.708 3.2139 156.534  5.5463  127.705 4.8998 119.710 4.1603 7.995544       6.427804 
1 1 1 34 15 3  o 77.610  5.1610 64.883   5.6362  83.632  7.1003 71.588  7.4921 12.04407       10.32208 
1 1 1 34 15 5  o 70.587  4.3535 53.214   4.2170  68.403  7.0008 72.771  5.1768 -4.367287      8.706911 
1 1 1 34 15 7  o 37.045  6.9734 16.661   3.8140  43.563  9.6370 30.528  10.082 13.03543       13.94677 
1 1 1 34 15 9  o 30.753  7.3777 8.9065   4.4360  19.877  9.0455 41.629  11.658 -21.75241      14.75546 
1 1 1 34 15 11 o 31.044  5.3266 9.4009   1.5954  27.759  3.6803 34.329  9.9974 -6.570356      10.65328 
1 1 1 34 15 13 o 20.435  6.0730 2.6258   2.4210  17.984  6.7783 22.886  10.079 -4.902067      12.14608 
1 1 1 34 15 15 o 46.795  5.2914 26.441   2.8229  54.065  4.1335 39.525  9.7423 14.54072       10.58290 
1 1 1 34 15 17 o 55.383  3.9038 32.832   2.7025  55.568  3.7919 55.198  6.8249 0.3702621      7.807528 
1 1 1 34 15 19 o 22.678  5.7735 5.2972   1.9234  21.222  5.8377 24.135  9.9626 -2.913050      11.54694 
1 1 1 34 15 21 o 25.788  6.0736 7.8199   2.2384  25.278  6.1191 26.297  10.493 -1.019098      12.14722 
1 1 1 34 15 23 o 41.190  4.7419 19.635   2.2695  42.506  4.0558 39.875  8.5728 2.631340       9.483776 
1 1 1 34 15 25 o 24.167  5.9347 7.7993   2.3609  23.616  7.1935 24.717  9.4411 -1.100698      11.86934 
1 1 1 34 15 27 o 20.778  6.0554 4.9591   2.7314  16.401  7.1753 25.155  9.7563 -8.753971      12.11075 
1 1 1 34 16 0  o 119.015 4.5749 145.068  10.855  119.015 4.5749 ?       ?      0.000000       0.000000 
1 1 1 34 16 2  o 93.217  3.9310 91.689   5.0351  92.556  4.7600 93.879  6.2573 -1.322968      7.862001 
1 1 1 34 16 4  o 40.425  7.9674 21.454   4.8958  34.964  12.179 45.886  10.276 -10.92262      15.93471 
1 1 1 34 16 6  o 54.706  5.9059 33.661   4.4669  57.094  9.1704 52.319  7.4445 4.775162       11.81171 
1 1 1 34 16 8  o 34.350  8.3245 14.928   4.7763  28.910  10.686 39.790  12.767 -10.88055      16.64905 
1 1 1 34 16 10 o 27.147  7.3119 8.2189   3.8855  25.448  9.9881 28.845  10.681 -3.397387      14.62378 
1 1 1 34 16 12 o 30.962  5.6929 11.398   1.9669  34.275  3.7258 27.649  10.759 6.625849       11.38578 
1 1 1 34 16 14 o 79.625  3.5146 66.494   3.2178  80.220  2.9450 79.030  6.3826 1.189514       7.029248 
1 1 1 34 16 16 o 94.988  2.9743 95.752   3.5413  98.141  2.8626 91.834  5.2146 6.307594       5.948683 
1 1 1 34 16 18 o 81.137  3.2403 70.575   3.1609  84.168  2.8827 78.107  5.8041 6.060486       6.480529 
1 1 1 34 16 20 o 69.923  3.1167 49.981   2.4874  67.403  2.6524 72.443  5.6409 -5.040604      6.233364 
1 1 1 34 16 22 o 16.311  5.3586 -0.7855  2.3654  12.609  5.8230 20.013  8.9972 -7.403988      10.71710 
1 1 1 34 16 24 o 17.678  5.5372 1.8606   2.3654  15.593  6.5432 19.763  8.9346 -4.170444      11.07432 
1 1 1 34 16 26 o 22.287  6.0813 6.8394   2.5659  20.910  7.5751 23.665  9.5156 -2.754704      12.16258 
1 1 1 34 17 1  o 28.040  7.8762 7.6621   4.8526  31.828  11.660 24.251  10.592 7.576817       15.75243 
1 1 1 34 17 3  o 22.739  7.1026 0.6979   4.5253  24.901  10.655 20.578  9.3948 4.323195       14.20524 
1 1 1 34 17 5  o 23.209  6.9579 3.4448   3.7847  24.852  10.683 21.566  8.9171 3.286198       13.91575 
1 1 1 34 17 7  o 33.199  7.5475 14.058   4.3184  27.700  11.095 38.698  10.236 -10.99828      15.09496 
1 1 1 34 17 9  o 26.442  7.3971 6.8070   4.3724  23.118  10.275 29.766  10.644 -6.647337      14.79411 
1 1 1 34 17 11 o 43.619  7.1201 23.574   4.1375  45.502  11.383 41.737  8.5556 3.764557       14.24015 
1 1 1 34 17 13 o 59.186  4.0270 38.230   2.6338  61.661  3.1065 56.711  7.4309 4.950470       8.054096 
1 1 1 34 17 15 o 61.896  3.8738 40.222   2.8507  59.996  3.5120 63.797  6.9058 -3.800953      7.747522 
1 1 1 34 17 17 o 57.335  4.0741 35.861   2.8355  58.282  3.7249 56.389  7.2469 1.892639       8.148106 
1 1 1 34 17 19 o 40.948  5.6433 20.049   2.7243  41.816  4.8862 40.080  10.174 1.736202       11.28660 
1 1 1 34 17 21 o 29.344  6.0350 10.195   2.2424  25.182  6.3388 33.507  10.272 -8.324520      12.06995 
1 1 1 34 17 23 o 19.032  5.6627 3.5040   2.2675  17.016  6.6846 21.049  9.1422 -4.033640      11.32536 
1 1 1 34 17 25 o 15.774  5.2394 -0.4318  2.2925  11.735  5.5100 19.813  8.9132 -8.078437      10.47876 
1 1 1 34 18 0  o 34.171  14.885 19.794   10.471  34.171  14.885 ?       ?      0.000000       0.000000 
1 1 1 34 18 2  o 31.504  8.1728 12.230   4.9509  37.409  12.347 25.600  10.711 11.80957       16.34560 
1 1 1 34 18 4  o 20.214  6.5727 -3.0798  4.3268  22.984  10.160 17.443  8.3417 5.540806       13.14542 
1 1 1 34 18 6  o 36.910  7.7950 18.317   4.3974  35.244  11.430 38.575  10.602 -3.331383      15.59003 
1 1 1 34 18 8  o 29.027  7.8533 9.5410   4.7854  24.535  10.689 33.520  11.508 -8.984303      15.70667 
1 1 1 34 18 10 o 35.005  8.0559 16.871   4.6576  31.993  11.596 38.017  11.186 -6.024231      16.11186 
1 1 1 34 18 12 o 24.237  7.1386 4.3290   4.4190  20.237  9.4578 28.236  10.695 -7.998650      14.27726 
1 1 1 34 18 14 o 50.559  4.1497 26.697   2.5681  47.382  4.0427 53.736  7.2482 -6.354046      8.299371 
1 1 1 34 18 16 o 45.891  5.2108 24.115   2.9422  45.197  5.0858 46.586  9.0963 -1.388680      10.42155 
1 1 1 34 18 18 o 23.505  6.2183 6.2964   2.9984  26.300  8.4008 20.710  9.1703 5.589312       12.43655 
1 1 1 34 18 20 o 26.451  5.2117 8.6326   1.8729  29.720  4.2969 23.183  9.4965 6.536594       10.42336 
1 1 1 34 18 22 o 27.824  5.3896 10.293   2.0992  30.164  5.4955 25.485  9.2731 4.678722       10.77920 
1 1 1 34 18 24 o 18.554  5.4258 3.2268   2.3936  19.579  7.1996 17.530  8.1192 2.049196       10.85155 
1 1 1 34 19 1  o 30.281  8.4452 11.400   5.3664  29.337  12.254 31.225  11.624 -1.888474      16.89036 
1 1 1 34 19 3  o 30.298  8.2550 11.373   5.0711  27.223  11.208 33.373  12.123 -6.149784      16.50991 
1 1 1 34 19 5  o 29.041  7.4896 9.3259   4.2813  35.996  11.493 22.087  9.6066 13.90871       14.97920 
1 1 1 34 19 7  o 24.693  7.5090 4.9768   4.3112  28.014  11.965 21.372  9.0768 6.642448       15.01795 
1 1 1 34 19 9  o 25.722  7.9335 6.2799   5.3522  26.759  11.763 24.685  10.649 2.073421       15.86701 
1 1 1 34 19 11 o 23.986  7.4983 3.8253   4.9389  25.011  11.122 22.960  10.059 2.050940       14.99667 
1 1 1 34 19 13 o 34.767  5.4142 14.226   2.1454  36.349  4.2158 33.185  9.9740 3.164555       10.82838 
1 1 1 34 19 15 o 16.131  5.4877 -3.3098  2.6583  11.369  5.4987 20.893  9.4987 -9.524528      10.97545 
1 1 1 34 19 17 o 24.695  6.4355 7.4918   2.6392  21.638  7.4927 27.753  10.465 -6.114878      12.87093 
1 1 1 34 19 19 o 18.487  5.8909 1.2190   2.9255  15.664  7.0355 21.309  9.4506 -5.645404      11.78186 
1 1 1 34 19 21 o 18.251  5.3091 2.6179   2.1329  18.542  6.4507 17.960  8.4340 0.5824471      10.61812 
1 1 1 34 19 23 o 16.786  5.3272 1.5293   2.3263  15.015  6.4308 18.558  8.4947 -3.542568      10.65433 
1 1 1 34 20 0  o 15.319  10.660 -4.5972  11.110  15.319  10.660 ?       ?      0.000000       0.000000 
1 1 1 34 20 2  o 28.126  7.7290 9.4598   4.7983  31.769  10.778 24.484  11.081 7.285656       15.45794 
1 1 1 34 20 4  o 30.377  7.6671 12.524   4.1522  34.640  11.589 26.113  10.041 8.527178       15.33421 
1 1 1 34 20 6  o 39.891  6.8043 20.756   3.7988  39.119  9.8037 40.662  9.4383 -1.542744      13.60860 
1 1 1 34 20 8  o 35.166  8.0402 18.044   5.0036  41.413  10.714 28.919  11.991 12.49424       16.08048 
1 1 1 34 20 10 o 35.773  8.5153 19.578   5.0434  34.886  11.352 36.660  12.696 -1.774597      17.03063 
1 1 1 34 20 12 o 47.019  6.9075 29.323   4.3988  46.219  10.702 47.819  8.7366 -1.600197      13.81491 
1 1 1 34 20 14 o 25.899  5.0522 8.1599   2.1822  31.950  4.9961 19.848  8.7828 12.10187       10.10439 
1 1 1 34 20 16 o 22.327  6.3207 5.5247   2.7656  21.072  7.5809 23.582  10.116 -2.510281      12.64136 
1 1 1 34 20 18 o 24.784  6.1308 8.1488   2.7468  27.358  6.9782 22.209  10.082 5.149193       12.26158 
1 1 1 34 20 20 o 21.979  6.1938 6.2391   2.9984  23.398  8.3739 20.560  9.1285 2.837641       12.38757 
1 1 1 34 20 22 o 15.385  4.9751 0.0158   2.2072  14.510  6.2004 16.260  7.7821 -1.749405      9.950150 
1 1 1 34 21 1  f 36.961  8.2550 20.103   4.8197  35.635  12.724 38.288  10.520 -2.652843      16.51008 
1 1 1 34 21 3  o 24.895  7.4932 5.7858   4.3776  28.628  11.824 21.163  9.2080 7.465029       14.98637 
1 1 1 34 21 5  o 32.237  7.9714 15.083   4.5127  30.724  12.028 33.750  10.464 -3.025921      15.94278 
1 1 1 34 21 7  o 35.252  8.4546 19.096   4.9072  34.469  10.825 36.034  12.990 -1.564857      16.90917 
1 1 1 34 21 9  f 25.285  7.8573 6.6095   5.3529  23.972  10.563 26.599  11.635 -2.626518      15.71456 
1 1 1 34 21 11 o 34.087  7.2546 16.477   4.0884  42.909  10.490 25.266  10.024 17.64269       14.50925 
1 1 1 34 21 13 o 19.829  5.5394 3.1268   1.6437  12.784  5.2654 26.874  9.7475 -14.09028      11.07873 
1 1 1 34 21 15 o 29.517  6.3191 11.761   2.6185  30.794  6.2308 28.239  10.995 2.554956       12.63811 
1 1 1 34 21 17 o 23.800  5.9678 6.5127   3.1581  28.833  7.7883 18.766  9.0443 10.06796       11.93554 
1 1 1 34 21 19 o 21.015  6.0969 4.9362   3.0927  22.645  8.0512 19.385  9.1577 3.259281       12.19371 
1 1 1 34 21 21 o 15.893  5.0024 1.5111   1.8446  13.751  5.6922 18.034  8.2276 -4.283076      10.00473 
1 1 1 34 22 0  o 49.873  10.642 31.542   9.3222  49.873  10.642 ?       ?      0.000000       0.000000 
1 1 1 34 22 2  o 44.437  7.7308 27.609   4.7742  51.256  11.268 37.617  10.588 13.63940       15.46152 
1 1 1 34 22 4  o 33.942  7.9955 17.419   5.0434  25.933  11.087 41.952  11.523 -16.01871      15.99092 
1 1 1 34 22 6  o 43.816  8.5623 30.619   5.5927  39.354  13.062 48.278  11.074 -8.924664      17.12465 
1 1 1 34 22 8  o 25.564  7.8223 5.9438   5.1707  32.343  12.891 18.784  8.8636 13.55894       15.64454 
1 1 1 34 22 10 o 20.831  6.9994 -2.8445  4.7217  26.915  11.972 14.746  7.2558 12.16927       13.99883 
1 1 1 34 22 12 o 26.174  7.5245 10.001   4.1382  27.835  11.679 24.514  9.4909 3.320389       15.04896 
1 1 1 34 22 14 o 38.464  5.4229 17.597   2.4507  35.771  4.9979 41.156  9.6256 -5.384956      10.84576 
1 1 1 34 22 16 o 21.629  6.1580 5.8040   2.6294  20.931  7.2471 22.328  9.9580 -1.397303      12.31592 
1 1 1 34 22 18 f 32.303  6.8285 16.106   3.0238  32.618  6.8710 31.988  11.803 0.6304016      13.65692 
1 1 1 34 23 1  o 48.910  7.5925 34.211   5.0570  49.636  11.530 48.184  9.8811 1.452568       15.18502 
1 1 1 34 23 3  o 51.418  6.6301 35.113   4.6876  48.761  10.274 54.075  8.3835 -5.313534      13.26021 
1 1 1 34 23 5  o 21.202  6.8401 1.4762   4.5472  20.377  9.3125 22.026  10.021 -1.648909      13.68022 
1 1 1 34 23 7  o 18.957  6.1858 -0.6269  3.8310  20.244  9.2479 17.671  8.2177 2.573002       12.37151 
1 1 1 34 23 9  o 25.952  7.1743 9.8270   4.0375  23.036  10.148 28.867  10.144 -5.830605      14.34862 
1 1 1 34 23 11 o 18.696  5.9399 1.2650   3.3793  17.033  8.0009 20.358  8.7816 -3.325769      11.87984 
1 1 1 34 23 13 o 18.436  5.2653 3.2181   1.5324  16.354  5.2086 20.518  9.1524 -4.164003      10.53069 
1 1 1 34 23 15 o 20.805  6.4647 5.0735   2.7956  16.712  6.9478 24.899  10.904 -8.186867      12.92947 
1 1 1 34 23 17 o 15.640  5.2572 -1.6717  2.9255  14.398  6.6775 16.882  8.1218 -2.484078      10.51441 
1 1 1 34 24 0  o 25.155  13.808 14.047   9.8330  25.155  13.808 ?       ?      0.000000       0.000000 
1 1 1 34 24 2  o 39.221  7.8216 24.621   4.5325  37.517  11.126 40.924  10.996 -3.406937      15.64323 
1 1 1 34 24 4  o 20.268  6.6153 0.5594   4.5325  17.639  8.5044 22.896  10.135 -5.257427      13.23055 
1 1 1 34 24 6  o 29.017  7.9133 15.324   4.6025  28.497  11.446 29.536  10.931 -1.038755      15.82653 
1 1 1 34 24 8  o 60.373  6.1680 49.963   4.6302  49.492  10.874 71.254  5.8246 -21.76167      12.33590 
1 1 1 34 24 10 o 31.247  8.0033 18.202   4.5383  33.414  11.785 29.079  10.831 4.334749       16.00670 
1 1 1 34 24 12 o 37.513  7.9740 26.022   4.7111  33.321  11.851 41.705  10.672 -8.384365      15.94797 
1 1 1 34 24 14 o 22.913  5.6198 7.0094   2.3863  25.880  6.2330 19.946  9.3530 5.933973       11.23957 
1 1 1 34 25 1  o 26.396  7.7356 11.603   5.1350  31.153  11.741 21.639  10.075 9.513720       15.47118 
1 1 1 34 25 3  o 30.490  8.2311 18.319   4.9466  30.425  11.553 30.554  11.727 -0.1291981     16.46214 
1 1 1 34 25 5  o 29.310  7.7743 15.707   4.4831  33.968  11.665 24.653  10.281 9.315407       15.54866 
1 1 1 34 25 7  o 43.237  7.8156 31.808   4.7686  40.875  12.375 45.599  9.5491 -4.723888      15.63115 
1 1 1 34 25 9  o 70.460  4.8697 62.456   4.8224  72.349  7.2368 68.571  6.5181 3.777924       9.739450 
1 1 1 34 25 11 o 59.630  5.6866 48.316   4.5351  57.235  9.4824 62.025  6.2795 -4.789871      11.37318 
1 1 1 34 26 0  o 21.197  12.840 11.238   9.8330  21.197  12.840 ?       ?      0.000000       0.000000 
1 1 1 34 26 2  o 23.482  7.5854 9.6612   5.4493  26.072  11.690 20.892  9.6697 5.180183       15.17084 
1 1 1 34 26 4  o 25.362  7.8498 13.632   5.2773  26.303  11.688 24.420  10.481 1.883638       15.69963 
1 1 1 34 26 6  o 34.051  8.4407 24.585   4.8971  34.264  13.087 33.839  10.663 0.4251747      16.88139 
1 1 1 35 1  0  o 13.432  8.0791 2.0432   3.8310  13.432  8.0791 ?       ?      0.000000       0.000000 
1 1 1 35 1  2  o 53.221  2.8036 28.690   2.1051  52.542  4.1318 53.900  3.7907 -1.358273      5.607223 
1 1 1 35 1  4  o 58.286  2.6350 34.299   2.1634  59.016  3.8949 57.557  3.5499 1.458599       5.269920 
1 1 1 35 1  6  o 63.950  2.4447 41.240   2.1802  64.434  3.7656 63.465  3.1188 0.9684334      4.889454 
1 1 1 35 1  8  o 22.296  5.3706 4.6331   1.9454  26.240  8.4028 18.353  6.6909 7.886587       10.74127 
1 1 1 35 1  10 o 62.491  2.6028 39.181   2.2543  65.083  4.0224 59.900  3.3045 5.183094       5.205662 
1 1 1 35 1  12 o 92.408  1.9812 86.316   2.4966  91.635  3.2052 93.182  2.3298 -1.546204      3.962487 
1 1 1 35 1  14 o 19.113  5.3245 2.2986   1.9503  23.254  8.6446 14.972  6.2188 8.281967       10.64903 
1 1 1 35 1  16 f 41.245  3.7119 17.242   1.9136  42.583  6.4476 39.907  3.6800 2.675991       7.423856 
1 1 1 35 1  18 o 31.241  4.7713 12.141   2.0691  22.074  8.6131 40.409  4.1083 -18.33546      9.542685 
1 1 1 35 1  20 o 21.526  6.4244 2.2119   3.4139  22.530  8.9440 20.522  9.2246 2.007305       12.84872 
1 1 1 35 1  22 o 21.225  5.3884 4.7092   2.0746  19.769  7.4996 22.681  7.7392 -2.912775      10.77676 
1 1 1 35 1  24 o 19.242  5.2252 2.6961   2.2303  15.998  7.2765 22.485  7.5010 -6.486501      10.45046 
1 1 1 35 1  26 o 20.205  5.2891 4.0578   2.1156  22.576  7.3790 17.834  7.5795 4.741610       10.57823 
1 1 1 35 1  28 o 15.194  4.8251 -2.7517  2.3196  11.008  5.4303 19.379  7.9773 -8.371270      9.650168 
1 1 1 35 1  30 o 17.834  5.3974 2.4095   2.4246  18.522  7.8225 17.146  7.4389 1.376011       10.79483 
1 1 1 35 1  32 o 17.795  4.9104 3.5622   1.7744  17.909  6.5531 17.680  7.3147 0.2289143      9.820812 
1 1 1 35 2  1  o 40.729  3.4906 16.863   2.0067  42.182  4.9952 39.276  4.8771 2.906063       6.981293 
1 1 1 35 2  3  o 24.204  4.9817 6.0490   1.7744  27.318  7.4917 21.091  6.5685 6.226254       9.963476 
1 1 1 35 2  5  o 76.594  2.1639 59.000   2.2951  77.188  3.3915 75.999  2.6885 1.189224       4.327858 
1 1 1 35 2  7  o 126.407 1.9205 160.780  3.3799  126.550 2.9768 126.264 2.4273 0.2853317      3.841011 
1 1 1 35 2  9  o 156.160 1.8731 245.318  4.0765  156.648 2.8940 155.672 2.3789 0.9756622      3.746274 
1 1 1 35 2  11 o 25.952  4.9734 7.3753   1.8841  23.414  8.0776 28.490  5.8042 -5.075796      9.946705 
1 1 1 35 2  13 o 27.666  5.0747 8.0695   1.8973  30.834  8.0065 24.497  6.2374 6.336945       10.14931 
1 1 1 35 2  15 o 52.008  2.9277 26.851   2.0013  55.221  4.8564 48.794  3.2714 6.426037       5.855464 
1 1 1 35 2  17 o 41.598  4.6408 19.132   2.3264  38.918  8.2861 44.278  4.1819 -5.360394      9.281533 
1 1 1 35 2  19 o 56.427  2.3188 32.377   1.8429  59.569  3.3228 53.286  3.2353 6.282375       4.637698 
1 1 1 35 2  21 o 45.718  5.4159 24.753   2.4469  50.372  3.4225 41.063  10.277 9.308521       10.83186 
1 1 1 35 2  23 o 27.637  5.1466 8.7994   1.9933  26.551  6.5297 28.723  7.9569 -2.172377      10.29320 
1 1 1 35 2  25 o 17.187  4.9984 1.9490   1.9050  15.707  6.4952 18.666  7.5991 -2.958811      9.996700 
1 1 1 35 2  27 o 21.341  5.5669 4.9986   2.1892  18.357  7.1878 24.324  8.5027 -5.967499      11.13373 
1 1 1 35 2  29 o 25.300  4.8076 7.9651   1.8571  20.851  7.6788 29.750  5.7868 -8.899107      9.615161 
1 1 1 35 2  31 o 39.035  4.2556 18.090   2.2662  34.940  6.6359 43.130  5.3295 -8.189770      8.511118 
1 1 1 35 3  0  o 70.943  3.1636 50.825   4.4695  70.943  3.1636 ?       ?      0.000000       0.000000 
1 1 1 35 3  2  o 88.370  1.7880 78.427   2.2329  90.525  2.5392 86.216  2.5180 4.309586       3.576022 
1 1 1 35 3  4  o 69.716  2.0836 49.105   2.0352  68.174  3.1844 71.258  2.6881 -3.084167      4.167284 
1 1 1 35 3  6  o 50.328  2.5071 25.355   1.7673  53.757  3.6820 46.899  3.4036 6.857838       5.014172 
1 1 1 35 3  8  o 69.684  2.1238 48.911   2.0354  69.924  3.3786 69.444  2.5745 0.4800262      4.247688 
1 1 1 35 3  10 o 20.105  4.6177 3.4025   1.7272  16.307  7.2785 23.904  5.6847 -7.597040      9.235421 
1 1 1 35 3  12 o 63.485  2.4673 41.022   2.1033  62.631  4.0779 64.338  2.7788 -1.706856      4.934645 
1 1 1 35 3  14 o 66.220  2.2399 43.955   1.9921  67.889  3.6680 64.551  2.5718 3.337883       4.479784 
1 1 1 35 3  16 o 34.740  4.2097 13.453   1.8964  40.374  4.2700 29.107  7.2562 11.26691       8.419338 
1 1 1 35 3  18 o 26.368  4.8299 7.9351   1.8318  28.880  5.9517 23.857  7.6086 5.023813       9.659889 
1 1 1 35 3  20 o 22.632  5.2611 5.6837   1.9469  22.713  7.3790 22.550  7.5010 0.1634541      10.52212 
1 1 1 35 3  22 f 19.505  5.4192 2.9975   2.0242  19.029  6.4610 19.980  8.7020 -0.9518070     10.83833 
1 1 1 35 3  24 o 16.903  4.8081 1.9224   1.7673  14.284  6.1547 19.521  7.3886 -5.237037      9.616219 
1 1 1 35 3  26 o 18.315  5.2426 2.4789   2.1690  20.100  7.6186 16.530  7.2039 3.569992       10.48515 
1 1 1 35 3  28 o 20.627  5.5484 4.2567   2.3940  24.139  8.1948 17.115  7.4821 7.024265       11.09673 
1 1 1 35 3  30 o 14.406  4.6076 -0.4013  2.0067  13.820  6.2899 14.992  6.7348 -1.172214      9.215224 
1 1 1 35 3  32 o 17.090  5.1155 2.6207   2.1385  16.950  7.2365 17.231  7.2323 -0.2812862     10.23099 
1 1 1 35 4  1  o 64.048  2.0441 41.269   1.8495  64.980  2.9478 63.116  2.8326 1.863941       4.088174 
1 1 1 35 4  3  o 60.992  2.1106 37.488   1.8192  61.367  2.9133 60.618  3.0547 0.7488098      4.221186 
1 1 1 35 4  5  o 140.046 1.8745 197.550  3.6934  138.702 2.8081 141.390 2.4838 -2.688309      3.748924 
1 1 1 35 4  7  o 95.671  1.7723 92.123   2.3906  94.981  2.6217 96.361  2.3854 -1.379723      3.544547 
1 1 1 35 4  9  o 17.562  4.3776 2.2552   1.5043  14.900  6.6159 20.225  5.7344 -5.325509      8.755204 
1 1 1 35 4  11 o 66.493  2.1483 44.385   1.9702  68.029  3.3789 64.957  2.6540 3.071915       4.296560 
1 1 1 35 4  13 o 46.269  2.4950 22.082   1.5860  49.635  2.9587 42.903  4.0183 6.732323       4.990067 
1 1 1 35 4  15 o 34.296  3.7920 12.671   1.7027  37.573  4.0785 31.019  6.3938 6.553541       7.583903 
1 1 1 35 4  17 o 32.926  3.6250 11.588   1.6276  35.609  4.4828 30.243  5.6980 5.365791       7.249996 
1 1 1 35 4  19 o 14.816  4.6413 -0.7875  1.8623  12.117  5.5985 17.514  7.4043 -5.397391      9.282568 
1 1 1 35 4  21 o 40.418  3.2598 17.222   1.8495  42.146  4.2420 38.690  4.9509 3.455471       6.519629 
1 1 1 35 4  23 o 22.207  5.2388 5.5100   1.8590  21.235  6.5596 23.180  8.1703 -1.945377      10.47766 
1 1 1 35 4  25 o 18.824  4.9071 2.7424   1.9469  23.265  7.3616 14.382  6.4904 8.883571       9.814214 
1 1 1 35 4  27 o 18.417  5.2790 2.9085   2.1347  19.317  7.7026 17.517  7.2210 1.799416       10.55805 
1 1 1 35 4  29 o 22.115  5.3440 6.0172   2.1156  24.835  7.2595 19.395  7.8443 5.439653       10.68802 
1 1 1 35 4  31 o 16.542  5.1599 1.3253   2.3607  15.939  7.1002 17.146  7.4890 -1.206908      10.31978 
1 1 1 35 5  0  o 40.284  3.7042 16.729   2.9371  40.284  3.7042 ?       ?      0.000000       0.000000 
1 1 1 35 5  2  o 39.373  2.6368 15.618   1.4575  40.629  3.9289 38.117  3.5177 2.511833       5.273554 
1 1 1 35 5  4  o 87.956  1.6940 77.723   2.1051  88.813  2.4444 87.099  2.3459 1.714729       3.387909 
1 1 1 35 5  6  f 42.123  2.6200 18.324   1.4455  40.056  4.4633 44.190  2.7453 -4.133999      5.240051 
1 1 1 35 5  8  o 19.606  4.2863 3.1537   1.3992  26.579  6.7191 12.633  5.3238 13.94615       8.572537 
1 1 1 35 5  10 o 37.180  3.5292 14.379   1.8057  34.948  5.6638 39.412  4.2122 -4.464413      7.058393 
1 1 1 35 5  12 o 52.563  2.3695 27.481   1.6857  49.790  2.8213 55.337  3.8077 -5.546707      4.739007 
1 1 1 35 5  14 o 70.071  2.0069 49.606   1.9608  70.096  2.5505 70.047  3.0992 0.4898071E-01  4.013785 
1 1 1 35 5  16 o 68.746  2.0746 47.926   1.9986  68.593  2.6995 68.899  3.1509 -0.3057709     4.149123 
1 1 1 35 5  18 o 27.298  4.4419 8.0806   1.6861  21.254  6.3928 33.341  6.1688 -12.08723      8.883853 
1 1 1 35 5  20 o 35.444  3.7210 13.351   1.8318  35.759  4.6424 35.128  5.8165 0.6312790      7.442007 
1 1 1 35 5  22 o 36.010  4.1578 14.284   1.9702  37.746  4.5673 34.274  6.9490 3.471943       8.315540 
1 1 1 35 5  24 o 17.698  5.0129 2.3216   1.9469  16.122  6.8974 19.274  7.2762 -3.151711      10.02583 
1 1 1 35 5  26 o 16.783  5.0117 1.5244   2.0412  16.350  6.9428 17.217  7.2296 -0.8670464     10.02349 
1 1 1 35 5  28 o 15.817  4.9785 -0.0426  2.2348  15.739  6.7610 15.895  7.3097 -0.1565866     9.957001 
1 1 1 35 5  30 o 15.830  5.0379 0.2019   2.3349  14.393  6.5631 17.266  7.6450 -2.873176      10.07572 
1 1 1 35 5  32 o 18.352  5.5819 3.3825   2.6163  18.226  7.8173 18.479  7.9700 -0.2533836     11.16377 
1 1 1 35 6  1  o 64.879  1.7895 42.584   1.6226  67.362  2.2749 62.397  2.7629 4.964378       3.578925 
1 1 1 35 6  3  o 55.168  1.8417 30.611   1.4359  56.665  2.5917 53.671  2.6173 2.993820       3.683330 
1 1 1 35 6  5  o 42.754  2.2671 18.279   1.3542  45.094  3.3982 40.413  3.0019 4.680805       4.534239 
1 1 1 35 6  7  o 66.729  1.9964 44.890   1.8830  66.882  2.7686 66.577  2.8772 0.3052673      3.992855 
1 1 1 35 6  9  o 71.084  1.9229 51.131   1.8964  72.398  2.3812 69.770  3.0200 2.628090       3.845862 
1 1 1 35 6  11 o 30.499  3.5721 10.060   1.4189  34.176  3.7365 26.821  6.0892 7.354963       7.144218 
1 1 1 35 6  13 o 48.884  2.3991 24.116   1.6503  46.131  3.3219 51.637  3.4623 -5.505493      4.798141 
1 1 1 35 6  15 o 78.158  1.9067 61.676   2.0993  76.823  2.5765 79.492  2.8113 -2.668999      3.813369 
1 1 1 35 6  17 o 53.763  2.4859 29.490   1.8571  52.849  3.1412 54.676  3.8537 -1.827015      4.971755 
1 1 1 35 6  19 o 20.822  4.9183 4.5405   1.7027  17.927  6.5538 23.716  7.3354 -5.788641      9.836654 
1 1 1 35 6  21 o 20.979  4.9539 4.3242   1.8318  15.888  6.5223 26.069  7.4582 -10.18088      9.907864 
1 1 1 35 6  23 o 47.626  3.4308 24.196   2.2915  42.913  5.0588 52.340  4.6357 -9.426296      6.861612 
1 1 1 35 6  25 o 52.853  2.7668 29.408   1.8475  54.050  2.7171 51.656  4.8207 2.393528       5.533629 
1 1 1 35 6  27 o 17.622  5.1524 2.2071   2.1271  18.655  7.3062 16.588  7.2669 2.067532       10.30478 
1 1 1 35 6  29 o 17.848  5.3878 2.3018   2.3762  17.765  8.0730 17.931  7.1371 -0.1658745     10.77552 
1 1 1 35 6  31 o 29.851  5.4670 12.202   2.3301  29.055  7.9170 30.647  7.5415 -1.591938      10.93408 
1 1 1 35 7  0  o 9.8972  5.4454 1.4047   1.5324  9.8972  5.4454 ?       ?      0.000000       0.000000 
1 1 1 35 7  2  o 67.653  1.6012 45.922   1.5297  69.668  2.2912 65.638  2.2374 4.030502       3.202425 
1 1 1 35 7  4  o 55.420  1.7666 31.025   1.2648  55.957  1.8257 54.883  3.0248 1.074028       3.533110 
1 1 1 35 7  6  o 48.074  1.8552 22.937   1.1788  46.491  2.0601 49.658  3.0859 -3.166519      3.710392 
1 1 1 35 7  8  o 30.540  2.7315 9.3670   1.1597  28.831  3.5434 32.248  4.1579 -3.417175      5.462954 
1 1 1 35 7  10 o 30.618  3.5633 10.077   1.3002  32.559  3.1377 28.677  6.3986 3.882605       7.126521 
1 1 1 35 7  12 o 18.441  4.3083 3.4043   1.2708  17.569  5.5396 19.313  6.6000 -1.743530      8.616686 
1 1 1 35 7  14 o 32.532  3.6687 11.286   1.5554  34.064  3.9363 31.001  6.1921 3.063578       7.337306 
1 1 1 35 7  16 o 69.987  1.9834 49.791   1.9218  70.428  2.4478 69.545  3.1216 0.8833008      3.966880 
1 1 1 35 7  18 o 65.877  2.1239 44.088   1.9711  64.066  2.8902 67.687  3.1130 -3.620445      4.247810 
1 1 1 35 7  20 o 34.310  3.3451 12.182   1.5975  31.024  4.5279 37.597  4.9251 -6.573195      6.690148 
1 1 1 35 7  22 o 32.865  4.0328 11.789   1.7744  32.141  4.7677 33.588  6.5055 -1.446407      8.065513 
1 1 1 35 7  24 o 28.718  5.1077 9.8330   2.0707  28.886  6.9306 28.551  7.5047 0.3349495      10.21537 
1 1 1 35 7  26 o 18.608  5.2315 3.0534   2.1004  19.587  7.1999 17.629  7.5919 1.958195       10.46308 
1 1 1 35 7  28 f 42.651  3.7135 20.457   2.1240  45.045  4.1107 40.257  6.1857 4.788055       7.427042 
1 1 1 35 7  30 o 45.593  3.8504 23.674   2.3882  46.208  6.2181 44.978  4.5427 1.230686       7.700731 
1 1 1 35 8  1  o 102.857 2.6736 106.718  3.2047  102.491 2.3050 103.222 4.8249 -0.7312088     5.347198 
1 1 1 35 8  3  o 82.764  2.0219 68.962   2.3469  83.634  3.0538 81.895  2.6509 1.738785       4.043859 
1 1 1 35 8  5  o 61.013  2.4308 38.310   2.0113  57.572  3.9926 64.454  2.7738 -6.881271      4.861535 
1 1 1 35 8  7  o 35.753  3.8233 13.687   1.6253  33.765  6.8574 37.742  3.3836 -3.977074      7.646699 
1 1 1 35 8  9  o 52.931  1.9619 28.250   1.4658  52.168  2.6927 53.693  2.8540 -1.524979      3.923761 
1 1 1 35 8  11 o 77.339  1.6744 59.851   1.7744  75.692  2.0245 78.986  2.6676 -3.294357      3.348891 
1 1 1 35 8  13 o 39.872  2.5876 16.258   1.4019  40.313  3.0093 39.430  4.2102 0.8830910      5.175136 
1 1 1 35 8  15 o 47.434  2.4475 23.326   1.5554  49.419  2.7132 45.449  4.0741 3.970261       4.894924 
1 1 1 35 8  17 o 71.315  2.1034 51.220   2.0374  69.130  2.4938 73.500  3.3880 -4.370377      4.206848 
1 1 1 35 8  19 o 79.916  1.9933 65.129   2.2056  80.444  2.4605 79.388  3.1367 1.056473       3.986629 
1 1 1 35 8  21 f 50.615  2.8538 26.442   2.0113  48.420  3.6923 52.811  4.3525 -4.391659      5.707690 
1 1 1 35 8  23 o 23.823  5.3126 6.7123   2.0352  25.615  7.1874 22.031  7.8253 3.584522       10.62512 
1 1 1 35 8  25 o 15.739  4.8258 0.5290   2.0108  16.718  7.0131 14.759  6.6310 1.959261       9.651676 
1 1 1 35 8  27 o 36.157  4.3642 15.347   2.0897  40.134  4.7728 32.180  7.3080 7.954845       8.728468 
1 1 1 35 8  29 o 21.724  5.5602 6.1148   2.1802  23.543  8.2818 19.906  7.4214 3.637396       11.12050 
1 1 1 35 8  31 o 26.508  5.5989 9.8689   2.2303  23.928  7.4679 29.087  8.3440 -5.158768      11.19786 
1 1 1 35 9  0  o 56.929  11.823 38.183   11.876  56.929  11.823 ?       ?      0.000000       0.000000 
1 1 1 35 9  2  o 71.860  4.1430 53.298   4.1899  75.920  5.9713 67.800  5.7446 8.119362       8.285955 
1 1 1 35 9  4  o 65.043  4.2475 41.642   1.6338  63.644  1.5049 66.442  8.3607 -2.798225      8.495022 
1 1 1 35 9  6  o 24.592  5.2534 5.7276   2.3396  30.201  6.1332 18.983  8.5309 11.21841       10.50681 
1 1 1 35 9  8  o 58.758  2.4732 34.966   2.0113  59.245  3.8799 58.270  3.0681 0.9746056      4.946382 
1 1 1 35 9  10 o 65.125  2.8411 44.194   2.3576  62.046  4.9396 68.204  2.8085 -6.157986      5.682158 
1 1 1 35 9  12 o 12.022  3.5877 0.0730   1.0435  12.212  4.7418 11.832  5.3854 0.3802538      7.175486 
1 1 1 35 9  14 o 30.294  3.7609 9.8683   1.3857  31.194  3.4798 29.394  6.6684 1.799593       7.521744 
1 1 1 35 9  16 o 31.210  3.9520 11.365   1.4855  36.730  3.3029 25.689  7.1807 11.04157       7.903904 
1 1 1 35 9  18 o 69.796  2.1171 49.774   2.0511  70.181  2.6384 69.411  3.3116 0.7694473      4.234121 
1 1 1 35 9  20 o 74.573  1.9978 56.657   2.1051  73.675  2.7733 75.471  2.8765 -1.795975      3.995670 
1 1 1 35 9  22 o 48.585  3.2424 24.928   2.1469  48.384  3.8270 48.787  5.2350 -0.4031906     6.484723 
1 1 1 35 9  24 o 16.564  4.9462 1.4230   1.9702  16.368  6.6707 16.759  7.3050 -0.3915710     9.892499 
1 1 1 35 9  26 o 26.669  6.0949 9.1576   2.5100  27.827  6.7203 25.512  10.170 2.314743       12.18983 
1 1 1 35 9  28 o 32.854  5.0222 13.736   2.2555  34.923  6.2602 30.784  7.8548 4.139427       10.04430 
1 1 1 35 9  30 o 20.384  5.4743 5.4364   2.2275  18.850  7.7666 21.917  7.7169 -3.067293      10.94858 
1 1 1 35 10 1  o 32.572  7.9989 11.697   4.4026  32.172  10.242 32.972  12.290 -0.7999535     15.99771 
1 1 1 35 10 3  o 49.927  6.1766 27.533   4.2266  49.027  9.5886 50.827  7.7886 -1.800098      12.35325 
1 1 1 35 10 5  o 27.155  8.0831 3.2564   5.4273  30.255  12.023 24.056  10.808 6.198153       16.16627 
1 1 1 35 10 7  f 58.552  3.4877 33.137   1.7940  55.785  2.0603 61.319  6.6642 -5.533989      6.975437 
1 1 1 35 10 9  o 23.819  6.5429 3.9268   1.8676  15.896  5.6889 31.742  11.784 -15.84588      13.08573 
1 1 1 35 10 11 o 20.328  5.1396 2.9943   1.9962  22.627  6.0779 18.029  8.2897 4.598211       10.27912 
1 1 1 35 10 13 o 25.470  3.4940 6.9026   1.1829  24.222  4.3781 26.718  5.4464 -2.495316      6.987916 
1 1 1 35 10 15 o 32.680  3.4872 10.614   1.5224  27.828  4.3595 37.532  5.4439 -9.704191      6.974332 
1 1 1 35 10 17 o 17.867  4.6609 2.7788   1.5733  14.663  6.0062 21.072  7.1288 -6.408502      9.321753 
1 1 1 35 10 19 o 66.854  2.4784 45.680   2.2776  65.378  3.0276 68.330  3.9247 -2.952019      4.956724 
1 1 1 35 10 21 o 62.632  2.4972 41.011   2.1409  65.181  2.9387 60.083  4.0383 5.098946       4.994411 
1 1 1 35 10 23 o 34.696  4.6223 14.043   2.1409  37.795  5.0682 31.597  7.7316 6.198471       9.244676 
1 1 1 35 10 25 o 16.783  5.0454 1.2883   2.1409  17.751  7.1113 15.815  7.1591 1.935749       10.09071 
1 1 1 35 10 27 o 30.307  4.8065 11.432   2.0108  30.711  6.6335 29.902  6.9575 0.8089314      9.613027 
1 1 1 35 10 29 o 18.652  5.2562 2.6933   2.4379  22.809  7.9554 14.495  6.8718 8.313786       10.51238 
1 1 1 35 11 0  o 78.657  5.9109 64.234   9.1945  78.657  5.9109 ?       ?      0.000000       0.000000 
1 1 1 35 11 2  o 90.066  3.9612 84.195   5.0369  86.125  5.6344 94.008  5.5695 -7.883263      7.922480 
1 1 1 35 11 4  o 42.056  7.7079 21.032   4.6025  42.246  11.488 41.866  10.280 0.3801765      15.41573 
1 1 1 35 11 6  o 78.715  4.1902 64.824   4.6576  79.179  5.7255 78.251  6.1197 0.9279327      8.380460 
1 1 1 35 11 8  o 70.060  3.5052 46.077   2.1186  64.814  2.0688 75.306  6.6982 -10.49242      7.010450 
1 1 1 35 11 10 o 61.959  3.6899 36.842   2.2986  57.031  2.6870 66.886  6.8733 -9.854324      7.379805 
1 1 1 35 11 12 o 85.402  3.0073 73.210   3.0927  82.019  2.8026 88.785  5.3218 -6.766006      6.014627 
1 1 1 35 11 14 f 38.178  5.4878 15.412   2.1606  36.532  4.0199 39.823  10.213 -3.291050      10.97566 
1 1 1 35 11 16 o 21.679  5.5640 4.3918   1.6990  17.385  5.7158 25.972  9.5479 -8.587412      11.12802 
1 1 1 35 11 18 o 18.391  5.6512 1.3073   1.9778  12.950  5.6111 23.831  9.8112 -10.88091      11.30241 
1 1 1 35 11 20 o 22.436  5.2429 5.5644   1.7585  20.151  6.1182 24.721  8.5159 -4.570436      10.48583 
1 1 1 35 11 22 o 60.561  3.6368 41.112   2.2535  65.186  2.4488 55.935  6.8491 9.251404       7.273677 
1 1 1 35 11 24 o 24.988  4.9100 7.4470   2.0970  31.018  4.9404 18.958  8.4867 12.06008       9.819940 
1 1 1 35 11 26 f 14.950  4.9758 -2.3347  2.5480  13.939  6.3976 15.961  7.6228 -2.021703      9.951685 
1 1 1 35 11 28 o 22.258  5.7482 6.7289   2.4312  24.057  7.7320 20.459  8.5077 3.597908       11.49631 
1 1 1 35 12 1  o 101.891 3.4784 107.137  5.0121  102.183 4.9364 101.598 4.9020 0.5851059      6.956855 
1 1 1 35 12 3  o 73.649  4.2539 57.099   4.4048  77.472  5.6044 69.826  6.4010 7.646019       8.507723 
1 1 1 35 12 5  o 64.785  4.9439 44.397   4.4758  71.558  7.0491 58.013  6.9340 13.54515       9.887864 
1 1 1 35 12 7  o 36.105  8.2355 16.479   4.7811  35.881  11.898 36.329  11.390 -0.4474411     16.47104 
1 1 1 35 12 9  o 27.374  5.2246 8.3513   1.4449  29.639  3.0160 25.110  10.004 4.529108       10.44911 
1 1 1 35 12 11 o 60.094  4.3222 38.390   2.6707  61.026  3.0342 59.162  8.0943 1.863499       8.644320 
1 1 1 35 12 13 o 52.378  4.4210 29.779   2.4991  54.160  3.3010 50.596  8.2027 3.564232       8.842017 
1 1 1 35 12 15 o 31.412  6.0883 11.156   2.5642  26.081  7.3024 36.743  9.7440 -10.66234      12.17665 
1 1 1 35 12 17 o 32.767  5.4571 10.108   1.7038  27.163  3.9961 38.372  10.156 -11.20875      10.91418 
1 1 1 35 12 19 f 19.046  5.4567 2.6155   1.9865  18.205  6.1737 19.887  8.9992 -1.682098      10.91333 
1 1 1 35 12 21 o 40.130  4.9365 19.898   2.1844  46.495  3.5705 33.765  9.2048 12.72983       9.873006 
1 1 1 35 12 23 o 33.133  5.7885 14.234   2.4632  37.311  4.7917 28.955  10.539 8.355413       11.57693 
1 1 1 35 12 25 o 30.189  6.1272 12.430   2.6606  33.839  5.4720 26.538  10.965 7.301064       12.25441 
1 1 1 35 12 27 o 33.709  5.9590 15.530   2.6651  35.493  5.7567 31.925  10.436 3.568419       11.91803 
1 1 1 35 13 0  o 72.213  6.0962 54.784   8.6837  72.213  6.0962 ?       ?      0.000000       0.000000 
1 1 1 35 13 2  o 29.471  7.6965 9.1908   4.4048  33.656  11.272 25.285  10.483 8.370253       15.39293 
1 1 1 35 13 4  o 21.759  6.6665 0.3863   3.8184  25.788  10.509 17.731  8.2059 8.056667       13.33303 
1 1 1 35 13 6  o 32.903  7.6881 13.319   4.3735  27.679  10.885 38.128  10.861 -10.44959      15.37617 
1 1 1 35 13 8  o 38.408  7.3032 18.743   4.2054  44.180  9.3875 32.636  11.190 11.54406       14.60644 
1 1 1 35 13 10 o 23.393  5.3440 5.4113   1.5164  22.649  4.3851 24.137  9.7470 -1.487700      10.68799 
1 1 1 35 13 12 o 21.345  6.2331 2.9524   2.3250  14.926  6.2812 27.765  10.768 -12.83972      12.46628 
1 1 1 35 13 14 o 38.543  5.8881 17.951   2.6804  42.405  4.6678 34.681  10.812 7.723518       11.77626 
1 1 1 35 13 16 o 48.178  4.1485 24.817   2.3837  48.170  3.7114 48.185  7.4206 -0.1462173E-01 8.297038 
1 1 1 35 13 18 o 20.851  5.7820 3.6191   1.9359  19.653  5.7877 22.050  10.011 -2.396862      11.56398 
1 1 1 35 13 20 o 26.452  5.2136 8.4052   2.0032  31.276  4.2872 21.627  9.5051 9.648653       10.42726 
1 1 1 35 13 22 o 30.876  5.4480 11.876   2.2135  33.574  4.9447 28.179  9.7094 5.394922       10.89596 
1 1 1 35 13 24 o 17.744  5.4470 2.0006   2.2135  15.140  6.3902 20.347  8.8230 -5.206962      10.89402 
1 1 1 35 13 26 o 24.112  5.8670 7.7093   2.6294  27.326  6.7961 20.898  9.5654 6.428518       11.73390 
1 1 1 35 13 28 o 28.319  6.6932 12.355   2.8235  25.639  7.6465 30.998  10.987 -5.358711      13.38636 
1 1 1 35 14 1  o 92.950  3.8343 90.980   5.0151  89.237  5.2233 96.663  5.6146 -7.426453      7.668559 
1 1 1 35 14 3  o 83.853  4.4409 76.041   5.2287  87.135  5.7889 80.570  6.7361 6.565193       8.881807 
1 1 1 35 14 5  o 65.426  5.4339 47.326   4.7505  66.080  8.9862 64.771  6.1119 1.308624       10.86771 
1 1 1 35 14 7  o 29.526  7.7901 9.1151   4.7215  23.280  10.237 35.772  11.745 -12.49203      15.58018 
1 1 1 35 14 9  o 45.116  6.4626 24.604   4.0135  39.493  10.491 50.739  7.5505 -11.24541      12.92524 
1 1 1 35 14 11 o 38.883  4.6773 14.801   1.5954  35.573  2.8719 42.193  8.9028 -6.620548      9.354540 
1 1 1 35 14 13 o 68.414  4.0709 47.030   2.6241  65.567  2.6293 71.262  7.7056 -5.695168      8.141832 
1 1 1 35 14 15 o 28.735  5.9454 10.030   2.4379  30.667  6.0449 26.803  10.240 3.864271       11.89079 
1 1 1 35 14 17 o 24.968  6.2487 7.3737   2.6516  24.644  7.7078 25.293  9.8374 -0.6484642     12.49734 
1 1 1 35 14 19 o 28.959  5.8549 10.211   2.1656  31.983  4.3920 25.934  10.855 6.049755       11.70982 
1 1 1 35 14 21 o 57.966  4.1958 35.996   2.5745  56.840  3.1454 59.092  7.7798 -2.252438      8.391565 
1 1 1 35 14 23 o 38.376  5.0188 19.384   2.2583  46.825  3.8181 29.927  9.2831 16.89768       10.03760 
1 1 1 35 14 25 o 24.298  5.6022 8.0116   2.2583  26.422  6.7429 22.173  8.9484 4.249083       11.20445 
1 1 1 35 14 27 o 15.554  5.0101 -0.0162  2.4312  15.574  6.8368 15.533  7.3255 0.4035759E-01  10.02019 
1 1 1 35 15 0  o 36.833  14.728 21.581   10.471  36.833  14.728 ?       ?      0.000000       0.000000 
1 1 1 35 15 2  o 55.420  6.1407 35.773   4.3364  58.272  6.2457 52.567  10.575 5.704266       12.28141 
1 1 1 35 15 4  o 22.389  6.6838 2.2462   3.7284  25.762  10.201 19.016  8.6386 6.746078       13.36760 
1 1 1 35 15 6  o 42.808  8.1239 23.767   4.8106  44.968  12.935 40.648  9.8320 4.319389       16.24780 
1 1 1 35 15 8  o 34.044  8.5720 15.297   5.4644  40.973  12.881 27.116  11.314 13.85741       17.14392 
1 1 1 35 15 10 o 68.054  5.4006 51.889   4.8012  68.477  9.1379 67.631  5.7590 0.8456116      10.80128 
1 1 1 35 15 12 o 39.760  5.5972 17.112   2.1227  39.039  3.5982 40.482  10.600 -1.443367      11.19448 
1 1 1 35 15 14 o 48.668  5.6344 26.627   2.9613  47.663  4.4207 49.672  10.365 -2.008450      11.26871 
1 1 1 35 15 16 o 85.055  2.7828 75.604   3.1049  86.014  2.9693 84.096  4.7074 1.917496       5.565621 
1 1 1 35 15 18 o 64.689  3.4505 44.663   2.8733  64.581  3.5593 64.797  5.9123 -0.2157135     6.901012 
1 1 1 35 15 20 o 60.017  4.6306 41.118   2.4981  63.238  2.6252 56.795  8.8813 6.442650       9.261181 
1 1 1 35 15 22 o 21.167  6.2857 3.7504   2.3524  13.813  6.0534 28.521  11.018 -14.70815      12.57136 
1 1 1 35 15 24 o 16.728  5.3466 -0.0016  2.2843  11.322  5.4153 22.135  9.2206 -10.81262      10.69317 
1 1 1 35 15 26 o 20.420  5.6921 5.3884   2.4621  21.397  7.4847 19.442  8.5778 1.955435       11.38420 
1 1 1 35 16 1  o 39.501  8.5312 21.603   5.1597  38.398  11.450 40.603  12.650 -2.205242      17.06244 
1 1 1 35 16 3  o 22.376  6.7566 2.0712   3.9265  25.419  10.206 19.333  8.8563 6.086233       13.51318 
1 1 1 35 16 5  o 22.717  6.8116 3.2664   3.8416  21.859  9.6588 23.575  9.6072 -1.715792      13.62322 
1 1 1 35 16 7  o 28.743  8.0385 9.7754   4.8743  27.672  11.414 29.815  11.322 -2.142906      16.07709 
1 1 1 35 16 9  o 39.568  7.6265 20.607   4.3154  37.821  12.273 41.314  9.0569 -3.492397      15.25298 
1 1 1 35 16 11 o 34.852  8.1923 17.122   4.5427  35.935  12.861 33.768  10.151 2.167400       16.38456 
1 1 1 35 16 13 o 35.147  6.7435 14.084   2.6167  32.802  5.2556 37.492  12.421 -4.689499      13.48691 
1 1 1 35 16 15 o 55.178  4.2641 32.668   2.8235  53.920  3.9078 56.436  7.5802 -2.516521      8.528165 
1 1 1 35 16 17 o 83.746  3.0637 72.922   3.2673  81.330  3.1403 86.162  5.2614 -4.832466      6.127338 
1 1 1 35 16 19 o 62.092  3.7259 42.553   2.9410  64.022  3.6901 60.162  6.4740 3.859966       7.451764 
1 1 1 35 16 21 o 34.464  5.7506 15.505   2.2856  37.695  4.2347 31.234  10.693 6.461088       11.50121 
1 1 1 35 16 23 o 19.819  5.1839 3.7349   2.2545  23.071  6.7628 16.567  7.8586 6.503843       10.36789 
1 1 1 35 16 25 o 22.322  6.0435 6.9266   2.4463  18.729  7.2176 25.916  9.6955 -7.186430      12.08702 
1 1 1 35 17 0  o 13.180  9.2028 -5.1080  8.4283  13.180  9.2028 ?       ?      0.000000       0.000000 
1 1 1 35 17 2  o 28.116  7.1127 7.6460   4.0120  36.722  11.174 19.510  8.8031 17.21150       14.22534 
1 1 1 35 17 4  o 20.709  6.7685 -3.7448  4.7731  19.606  9.4055 21.811  9.7359 -2.204832      13.53706 
1 1 1 35 17 6  o 32.464  7.9401 13.599   4.5538  26.441  10.511 38.487  11.903 -12.04661      15.88021 
1 1 1 35 17 8  o 63.210  5.1986 46.383   4.4741  69.341  5.9853 57.079  8.5016 12.26202       10.39712 
1 1 1 35 17 10 o 20.777  6.7164 -0.4645  4.3909  21.937  9.9268 19.617  9.0498 2.320257       13.43281 
1 1 1 35 17 12 o 26.257  7.4154 8.2053   4.1149  24.624  9.9277 27.891  11.018 -3.267237      14.83084 
1 1 1 35 17 14 f 39.213  5.9408 18.812   2.5435  41.847  4.2722 36.578  11.087 5.269173       11.88160 
1 1 1 35 17 16 o 31.212  6.3442 12.900   2.8235  33.508  6.5208 28.917  10.885 4.591799       12.68846 
1 1 1 35 17 18 o 45.992  4.8503 24.101   3.0184  42.284  5.8891 49.700  7.7084 -7.415226      9.700551 
1 1 1 35 17 20 o 40.309  5.8833 22.317   3.0086  46.834  5.1806 33.783  10.565 13.05120       11.76658 
1 1 1 35 17 22 o 26.621  5.5408 9.9563   2.3779  31.314  5.7176 21.929  9.4927 9.385450       11.08164 
1 1 1 35 17 24 o 14.994  4.8182 -1.2770  2.3944  16.156  6.8437 13.833  6.7840 2.322750       9.636325 
1 1 1 35 18 1  o 21.306  6.7157 1.0216   4.1122  21.591  9.6503 21.020  9.3422 0.5711174      13.43147 
1 1 1 35 18 3  o 18.999  6.2693 -4.5067  4.2742  20.970  9.4346 17.028  8.2585 3.942396       12.53853 
1 1 1 35 18 5  o 21.254  6.6625 -2.0296  4.4831  16.873  8.2858 25.635  10.436 -8.762539      13.32503 
1 1 1 35 18 7  o 25.931  7.7886 6.5695   5.1435  23.685  10.762 28.178  11.262 -4.492933      15.57725 
1 1 1 35 18 9  o 33.336  8.0343 15.997   4.8759  28.229  11.674 38.442  11.042 -10.21289      16.06859 
1 1 1 35 18 11 o 24.154  7.4165 3.7334   4.8677  28.502  11.575 19.806  9.2761 8.695965       14.83308 
1 1 1 35 18 13 o 19.604  5.6619 3.2033   1.8001  16.871  5.7158 22.338  9.7753 -5.466530      11.32373 
1 1 1 35 18 15 o 22.401  5.8341 5.3999   2.6102  24.861  7.4106 19.941  9.0129 4.919638       11.66828 
1 1 1 35 18 17 o 23.218  6.4400 6.0738   2.8041  18.019  7.4380 28.417  10.515 -10.39810      12.87991 
1 1 1 35 18 19 o 19.459  6.0304 3.1041   2.9654  18.479  7.5736 20.438  9.3863 -1.959234      12.06082 
1 1 1 35 18 21 o 27.068  5.8276 9.9607   2.1071  28.345  5.1453 25.791  10.458 2.554546       11.65521 
1 1 1 35 19 0  o 16.421  11.336 -2.5540  11.748  16.421  11.336 ?       ?      0.000000       0.000000 
1 1 1 35 19 2  o 20.733  6.6656 -0.5326  4.3097  22.329  9.8713 19.136  8.9600 3.192480       13.33127 
1 1 1 35 19 4  o 34.071  8.0270 16.784   4.5298  34.227  11.511 33.915  11.191 0.3118477      16.05399 
1 1 1 35 19 6  o 22.893  7.2268 2.3003   4.8154  22.045  10.064 23.741  10.375 -1.695742      14.45360 
1 1 1 35 19 8  o 28.737  7.7751 11.422   4.4994  31.029  11.135 26.445  10.855 4.583979       15.55022 
1 1 1 35 19 10 o 31.755  7.8139 15.070   4.3097  31.928  11.019 31.582  11.082 0.3464527      15.62778 
1 1 1 35 19 12 o 27.804  7.5288 11.195   4.1463  27.119  10.706 28.490  10.588 -1.371572      15.05756 
1 1 1 35 19 14 o 20.978  5.8017 4.5629   2.0710  17.662  6.4198 24.295  9.6658 -6.633684      11.60345 
1 1 1 35 19 16 o 21.050  5.6021 4.4207   2.5798  24.203  7.4507 17.898  8.3679 6.305124       11.20420 
1 1 1 35 19 18 o 32.394  6.8272 15.295   2.9835  32.802  6.6555 31.985  11.923 0.8166924      13.65445 
1 1 1 35 19 20 o 19.297  5.9942 3.7111   2.9410  17.427  7.4981 21.166  9.3542 -3.738226      11.98838 
1 1 1 35 20 1  o 63.700  5.1746 47.354   4.6602  62.543  7.3505 64.857  7.2852 -2.314297      10.34911 
1 1 1 35 20 3  o 31.344  7.4643 13.703   4.4847  24.813  10.885 37.875  10.217 -13.06143      14.92859 
1 1 1 35 20 5  o 20.459  6.8711 -4.5516  5.3361  22.760  10.557 18.157  8.7982 4.602619       13.74225 
1 1 1 35 20 7  o 26.231  7.9919 7.9887   5.4882  23.225  10.558 29.236  12.000 -6.010563      15.98390 
1 1 1 35 20 9  o 22.575  6.8620 2.0532   4.4741  18.048  8.7334 27.101  10.587 -9.052715      13.72400 
1 1 1 35 20 11 o 19.178  6.5099 -4.0968  4.4454  23.244  10.739 15.112  7.3607 8.131064       13.01981 
1 1 1 35 20 13 o 26.336  7.8758 10.260   4.6639  28.128  12.366 24.544  9.7569 3.584103       15.75157 
1 1 1 35 20 15 o 31.395  6.0204 13.703   2.5846  34.703  5.3357 28.086  10.794 6.617088       12.04084 
1 1 1 35 20 17 o 22.476  5.9636 5.9844   2.8867  25.489  7.5126 19.463  9.2638 6.025600       11.92712 
1 1 1 35 20 19 o 27.622  6.3397 12.207   3.0911  31.815  7.5327 23.429  10.199 8.385374       12.67944 
1 1 1 35 21 0  o 19.069  11.581 6.3850   8.0452  19.069  11.581 ?       ?      0.000000       0.000000 
1 1 1 35 21 2  o 21.542  6.6254 3.2126   3.8500  22.922  9.5562 20.162  9.1794 2.759731       13.25075 
1 1 1 35 21 4  o 31.382  7.7571 15.151   4.3381  34.291  10.926 28.474  11.014 5.817089       15.51417 
1 1 1 35 21 6  o 27.051  7.9144 10.705   4.9317  26.796  10.953 27.305  11.428 -0.5097580     15.82881 
1 1 1 35 21 8  o 25.912  7.4373 8.8328   4.3679  29.442  11.170 22.382  9.8221 7.059259       14.87456 
1 1 1 35 21 10 o 16.910  5.6967 -4.2916  3.7219  18.379  8.6076 15.441  7.4646 2.937064       11.39349 
1 1 1 35 21 12 o 19.772  6.2739 2.2456   3.7282  18.730  8.7796 20.813  8.9646 -2.083261      12.54773 
1 1 1 35 21 14 o 30.714  5.3606 13.199   2.1232  36.936  3.9760 24.492  9.9567 12.44350       10.72122 
1 1 1 35 21 16 o 22.369  6.3482 6.7527   3.0153  23.134  7.7392 21.603  10.065 1.531488       12.69650 
1 1 1 35 22 1  o 36.723  7.8076 20.904   4.3956  38.486  10.023 34.959  11.974 3.527508       15.61524 
1 1 1 35 22 3  o 49.534  7.5380 35.084   5.0525  46.133  9.9710 52.935  11.308 -6.802166      15.07605 
1 1 1 35 22 5  o 26.779  7.6119 10.730   4.5558  28.444  10.366 25.114  11.150 3.330046       15.22390 
1 1 1 35 22 7  o 17.903  5.9139 -2.7596  3.8954  16.126  7.8937 19.679  8.8084 -3.553022      11.82782 
1 1 1 35 22 9  o 29.825  7.3285 14.738   3.8938  33.234  10.393 26.415  10.335 6.819195       14.65698 
1 1 1 35 22 11 o 21.385  6.5687 5.1455   3.6857  23.101  9.8146 19.670  8.7331 3.431887       13.13746 
1 1 1 35 22 13 o 16.385  5.6170 -6.2533  4.0482  18.794  8.8161 13.976  6.9626 4.817674       11.23394 
1 1 1 35 22 15 o 17.156  5.5674 1.0999   2.5697  15.672  6.5582 18.640  8.9985 -2.967381      11.13477 
1 1 1 35 23 0  o 26.835  14.129 16.346   9.9607  26.835  14.129 ?       ?      0.000000       0.000000 
1 1 1 35 23 2  o 36.446  8.1657 23.492   4.6795  36.373  12.347 36.519  10.689 -0.1461220     16.33146 
1 1 1 35 23 4  o 34.181  7.7985 20.061   4.5919  42.509  11.562 25.854  10.468 16.65536       15.59707 
1 1 1 35 23 6  o 21.082  6.8765 3.1653   4.7752  21.532  9.9500 20.632  9.4945 0.9008465      13.75308 
1 1 1 35 23 8  o 35.719  8.3151 24.308   4.8971  33.601  13.025 37.838  10.340 -4.236763      16.63023 
1 1 1 35 23 10 o 47.037  7.7506 37.014   4.8746  41.630  13.606 52.445  7.4266 -10.81480      15.50113 
1 1 1 35 23 12 o 34.504  8.1342 23.532   4.6876  32.871  11.697 36.137  11.307 -3.266247      16.26832 
1 1 1 35 24 1  o 24.577  7.4001 9.9152   4.7395  21.721  10.004 27.433  10.907 -5.712337      14.80025 
1 1 1 35 24 3  o 38.195  7.3354 23.824   4.0088  36.309  11.822 40.080  8.6878 -3.770817      14.67083 
1 1 1 35 24 5  o 19.842  6.4503 2.6455   4.2008  19.340  9.2043 20.343  9.0391 -1.003046      12.90055 
1 1 1 35 24 7  o 24.344  7.2342 10.367   4.3097  22.096  9.8066 26.592  10.638 -4.495491      14.46846 
1 1 1 35 24 9  o 49.026  7.2390 39.755   4.8493  38.886  12.480 59.166  7.3384 -20.27962      14.47801 
1 1 1 35 25 0  o 18.713  12.168 7.9175   10.599  18.713  12.168 ?       ?      0.000000       0.000000 
1 1 1 35 25 2  o 20.509  6.7811 3.9355   4.9090  21.553  9.9797 19.466  9.1835 2.086710       13.56216 
1 1 1 36 1  1  o 23.046  5.1925 5.5550   1.9155  21.921  7.3790 24.171  7.3073 -2.250797      10.38496 
1 1 1 36 1  3  o 30.494  4.9820 10.133   2.0993  30.904  7.3322 30.084  6.7467 0.8196678      9.963941 
1 1 1 36 1  5  o 36.812  3.7710 14.030   1.9344  35.937  5.8632 37.686  4.7439 -1.748848      7.541990 
1 1 1 36 1  7  o 21.455  5.5223 4.1503   2.0507  23.911  8.6768 18.999  6.8335 4.912737       11.04460 
1 1 1 36 1  9  o 21.401  5.2528 4.4947   1.9218  23.106  7.8556 19.696  6.9756 3.410059       10.50568 
1 1 1 36 1  11 o 72.836  2.4582 53.795   2.3086  72.830  4.2082 72.841  2.5421 -0.1026917E-01 4.916378 
1 1 1 36 1  13 o 71.488  2.4412 52.055   2.3440  71.418  4.0232 71.557  2.7661 -0.1397629     4.882362 
1 1 1 36 1  15 o 53.263  2.9853 29.534   2.1469  52.016  4.9101 54.510  3.3969 -2.493813      5.970585 
1 1 1 36 1  17 o 17.503  5.2585 -0.1330  2.0840  23.661  9.0558 11.344  5.3478 12.31648       10.51701 
1 1 1 36 1  19 o 48.895  3.6911 24.676   2.2544  50.852  6.4037 46.939  3.6728 3.912571       7.382177 
1 1 1 36 1  21 o 24.604  5.0361 6.8602   2.1540  31.087  6.5701 18.120  7.6342 12.96709       10.07212 
1 1 1 36 1  23 o 23.113  5.4027 6.1935   2.1071  25.828  7.6343 20.399  7.6467 5.428755       10.80537 
1 1 1 36 1  25 o 22.159  5.4440 5.8094   2.1347  20.229  7.7958 24.090  7.6010 -3.860243      10.88808 
1 1 1 36 1  27 o 18.549  5.2937 3.1775   2.1634  19.248  7.4467 17.850  7.5258 1.398615       10.58731 
1 1 1 36 1  29 o 19.432  5.4887 3.9945   2.3906  21.901  8.0247 16.963  7.4904 4.937485       10.97733 
1 1 1 36 2  0  o 35.913  5.4042 13.664   3.7033  35.913  5.4042 ?       ?      0.000000       0.000000 
1 1 1 36 2  2  o 43.158  3.1861 18.849   1.9218  45.492  4.7721 40.825  4.2228 4.666767       6.372218 
1 1 1 36 2  4  o 59.125  2.4037 35.185   1.9986  63.115  3.4396 55.135  3.3584 7.979874       4.807310 
1 1 1 36 2  6  o 56.955  2.4302 32.930   1.9344  56.387  3.7368 57.522  3.1080 -1.135201      4.860404 
1 1 1 36 2  8  o 29.426  4.4974 9.2482   1.7744  31.291  6.9182 27.561  5.7484 3.729918       8.994781 
1 1 1 36 2  10 o 43.830  3.4165 19.953   2.0354  42.346  5.5790 45.315  3.9453 -2.969681      6.833061 
1 1 1 36 2  12 o 60.343  2.5433 37.108   2.0813  60.109  4.1428 60.577  2.9513 -0.4683075     5.086541 
1 1 1 36 2  14 o 38.348  3.9392 15.414   2.1156  41.772  5.6556 34.923  5.4850 6.849415       7.878489 
1 1 1 36 2  16 o 30.039  4.8363 10.344   1.9155  26.884  8.4998 33.194  4.6165 -6.310213      9.672564 
1 1 1 36 2  18 f 19.013  5.1895 3.2008   1.9773  19.207  7.2688 18.818  7.4085 0.3890133      10.37891 
1 1 1 36 2  20 o 18.689  5.0384 3.1309   1.8429  20.175  7.4413 17.203  6.7949 2.972206       10.07686 
1 1 1 36 2  22 o 16.868  5.0652 1.2654   2.1051  17.429  7.3295 16.308  6.9933 1.121151       10.13047 
1 1 1 36 2  24 o 16.836  4.9951 0.4056   2.1634  12.902  6.0729 20.769  7.9324 -7.866761      9.990110 
1 1 1 36 2  26 o 19.342  5.2868 3.7721   2.0629  21.546  7.9107 17.139  7.0160 4.406843       10.57370 
1 1 1 36 2  28 o 12.704  4.2271 -2.6777  1.9500  12.633  5.7850 12.775  6.1650 -0.1416473     8.454235 
1 1 1 36 2  30 o 14.257  4.6668 -1.1274  2.2275  14.346  6.6980 14.168  6.5001 0.1786022      9.333508 
1 1 1 36 3  1  o 65.009  2.1874 42.640   2.0067  66.205  3.1826 63.814  3.0017 2.391201       4.374867 
1 1 1 36 3  3  o 42.264  2.9928 18.435   1.7414  39.925  4.7978 44.604  3.5788 -4.678883      5.985507 
1 1 1 36 3  5  o 81.151  1.8968 66.314   2.1540  81.722  2.8909 80.581  2.4564 1.141037       3.793538 
1 1 1 36 3  7  o 72.991  2.1130 53.495   2.1240  74.713  3.3330 71.269  2.5981 3.444191       4.225972 
1 1 1 36 3  9  o 48.277  3.0246 24.172   1.9702  46.010  4.9959 50.545  3.4108 -4.534710      6.049152 
1 1 1 36 3  11 o 92.419  2.1737 86.345   2.7383  92.821  3.5082 92.017  2.5674 0.8042297      4.347326 
1 1 1 36 3  13 o 101.541 2.0304 103.974  2.7583  102.919 3.3501 100.164 2.2949 2.754929       4.060762 
1 1 1 36 3  15 o 91.025  2.2580 84.429   2.7119  90.928  3.7919 91.122  2.4525 -0.1939545     4.515935 
1 1 1 36 3  17 o 54.542  2.8158 30.723   2.1634  53.832  3.7955 55.251  4.1603 -1.419064      5.631523 
1 1 1 36 3  19 o 16.475  4.8367 1.3783   1.8429  15.640  6.5523 17.309  7.1165 -1.668312      9.673482 
1 1 1 36 3  21 o 45.392  3.5364 22.105   2.2662  46.422  4.8140 44.361  5.1816 2.060997       7.072742 
1 1 1 36 3  23 o 50.281  2.9627 26.504   2.0993  47.392  4.1766 53.169  4.2031 -5.777260      5.925381 
1 1 1 36 3  25 o 21.748  5.3811 5.4333   1.9454  19.115  6.7181 24.381  8.4078 -5.265982      10.76219 
1 1 1 36 3  27 o 56.859  2.9173 34.905   2.2702  54.076  4.7230 59.642  3.4258 -5.565979      5.834671 
1 1 1 36 3  29 o 55.631  3.0053 33.647   2.3469  54.604  3.9757 56.657  4.5078 -2.053154      6.010571 
1 1 1 36 4  0  o 65.932  2.9176 43.929   3.8310  65.932  2.9176 ?       ?      0.000000       0.000000 
1 1 1 36 4  2  o 66.258  1.8442 44.303   1.7216  67.385  2.4636 65.131  2.7450 2.253830       3.688406 
1 1 1 36 4  4  o 13.873  4.1268 0.0290   1.3786  16.740  6.5601 11.007  5.0085 5.733223       8.253505 
1 1 1 36 4  6  o 54.900  2.1308 30.771   1.6125  52.517  3.4043 57.283  2.5637 -4.766506      4.261617 
1 1 1 36 4  8  o 64.928  2.2381 42.387   1.9933  66.424  3.5567 63.431  2.7178 2.992615       4.476212 
1 1 1 36 4  10 o 48.339  2.9557 24.465   1.8112  45.793  5.1590 50.885  2.8860 -5.092445      5.911427 
1 1 1 36 4  12 o 45.539  3.1030 21.475   1.7793  44.834  5.4118 46.243  3.0377 -1.408905      6.206024 
1 1 1 36 4  14 o 100.161 1.9941 101.760  2.7731  99.700  2.4976 100.621 3.1094 -0.9207382     3.988276 
1 1 1 36 4  16 o 88.801  2.0707 80.376   2.5666  89.691  2.6340 87.911  3.1957 1.779579       4.141346 
1 1 1 36 4  18 o 34.794  3.7037 12.853   1.8057  34.258  4.8460 35.331  5.6023 -1.073540      7.407402 
1 1 1 36 4  20 o 20.136  5.0373 4.0644   1.8429  16.797  6.7391 23.476  7.4889 -6.679644      10.07464 
1 1 1 36 4  22 o 20.759  5.1601 4.6538   1.9344  22.683  7.1009 18.834  7.4889 3.849501       10.32024 
1 1 1 36 4  24 o 20.398  5.3884 4.4521   2.0993  18.503  7.2895 22.293  7.9374 -3.790041      10.77679 
1 1 1 36 4  26 o 16.311  5.2006 -0.4882  2.4894  14.078  6.5501 18.545  8.0797 -4.467066      10.40119 
1 1 1 36 4  28 o 40.930  3.9707 19.258   2.2968  40.009  5.5857 41.851  5.6450 -1.841965      7.941377 
1 1 1 36 4  30 o 35.638  4.6239 15.844   2.2555  36.708  5.7401 34.568  7.2507 2.139477       9.247791 
1 1 1 36 5  1  o 53.744  2.1002 29.180   1.5963  53.685  2.9734 53.803  2.9668 -0.1188049     4.200396 
1 1 1 36 5  3  o 31.365  3.3895 10.155   1.4575  34.948  4.5675 27.782  5.0093 7.165878       6.779002 
1 1 1 36 5  5  o 40.768  2.6324 17.036   1.4998  37.778  4.0563 43.758  3.3561 -5.980125      5.264713 
1 1 1 36 5  7  o 79.335  1.8225 63.483   2.0412  78.992  2.6674 79.678  2.4842 -0.6852264     3.645063 
1 1 1 36 5  9  o 92.990  1.8908 87.366   2.4081  92.559  3.0353 93.421  2.2555 -0.8619003     3.781523 
1 1 1 36 5  11 o 84.048  1.9800 71.638   2.2951  84.781  2.4100 83.314  3.1422 1.466133       3.959955 
1 1 1 36 5  13 o 21.948  4.4764 5.3308   1.4672  23.107  5.5811 20.788  7.0004 2.318823       8.952887 
1 1 1 36 5  15 o 107.737 1.7693 117.603  2.6574  108.133 2.2438 107.342 2.7362 0.7915802      3.538605 
1 1 1 36 5  17 o 74.338  1.9143 56.197   2.0108  71.996  2.7493 76.680  2.6646 -4.684113      3.828663 
1 1 1 36 5  19 o 21.733  4.6421 5.2774   1.5637  19.763  6.6000 23.703  6.5296 -3.939713      9.284166 
1 1 1 36 5  21 o 18.080  4.9883 2.6315   1.9218  19.720  6.9765 16.440  7.1316 3.280745       9.976515 
1 1 1 36 5  23 o 28.147  5.6978 10.006   2.4398  32.146  5.9835 24.148  9.6984 7.997736       11.39569 
1 1 1 36 5  25 o 23.519  5.4724 6.8726   2.0993  24.032  7.9703 23.006  7.5010 1.025785       10.94487 
1 1 1 36 5  27 o 13.609  4.4642 -2.5972  2.1540  14.911  6.6191 12.306  5.9920 2.604939       8.928432 
1 1 1 36 5  29 o 31.969  4.9297 13.325   2.2329  25.876  8.0420 38.061  5.7038 -12.18463      9.859312 
1 1 1 36 6  0  o 43.617  2.5059 19.283   2.1709  43.617  2.5059 ?       ?      0.000000       0.000000 
1 1 1 36 6  2  o 35.931  2.3246 13.070   1.1804  34.967  3.2869 36.896  3.2881 -1.929241      4.649178 
1 1 1 36 6  4  o 37.973  2.2582 14.229   1.1594  40.730  3.6056 35.215  2.7197 5.515076       4.516300 
1 1 1 36 6  6  o 68.406  1.7582 47.312   1.6866  66.743  2.6787 70.070  2.2781 -3.326859      3.516379 
1 1 1 36 6  8  o 71.969  1.9063 52.219   1.8623  71.771  2.2241 72.167  3.0966 -0.3967133     3.812596 
1 1 1 36 6  10 o 92.560  1.8177 86.850   2.3469  94.429  2.2990 90.690  2.8162 3.739029       3.635417 
1 1 1 36 6  12 o 76.957  1.8371 60.279   1.9608  78.794  2.2690 75.119  2.8900 3.674698       3.674247 
1 1 1 36 6  14 o 21.069  4.5816 4.8146   1.4835  19.222  6.1670 22.917  6.7772 -3.695089      9.163118 
1 1 1 36 6  16 o 24.321  4.7057 6.6670   1.6866  21.194  6.7216 27.448  6.5874 -6.253939      9.411376 
1 1 1 36 6  18 o 16.691  4.8493 0.6406   1.9218  12.532  5.8009 20.850  7.7724 -8.317396      9.698504 
1 1 1 36 6  20 o 28.777  4.5788 9.5552   1.8057  28.649  5.9890 28.905  6.9278 -0.2558346     9.157646 
1 1 1 36 6  22 o 20.470  5.2613 4.5396   1.9608  20.341  7.1135 20.598  7.7538 -0.2567539     10.52250 
1 1 1 36 6  24 o 17.066  5.3826 -1.3887  2.8041  18.196  7.4623 15.937  7.7591 2.258927       10.76520 
1 1 1 36 6  26 o 18.767  5.1732 2.5954   2.2555  22.719  7.7392 14.815  6.8669 7.904067       10.34646 
1 1 1 36 6  28 o 18.351  5.2429 3.5679   2.1051  17.978  7.2853 18.724  7.5415 -0.7454967     10.48572 
1 1 1 36 7  1  f 48.301  1.6356 23.468   1.1165  49.349  2.3289 47.253  2.2971 2.096630       3.271194 
1 1 1 36 7  3  o 28.730  3.1209 9.0029   1.1174  32.378  2.9580 25.081  5.4964 7.297129       6.241820 
1 1 1 36 7  5  o 18.800  3.4142 3.2777   0.8513  12.977  4.2603 24.624  5.3363 -11.64771      6.828330 
1 1 1 36 7  7  o 71.784  1.7891 51.951   1.7308  71.802  2.0453 71.766  2.9360 0.3652191E-01  3.578190 
1 1 1 36 7  9  o 36.513  2.7738 13.548   1.3322  36.009  3.0144 37.018  4.6571 -1.009212      5.547561 
1 1 1 36 7  11 o 60.762  2.1763 37.377   1.7966  59.846  2.5606 61.678  3.5198 -1.832100      4.352648 
1 1 1 36 7  13 o 15.531  4.4063 1.5025   1.4455  15.238  5.7794 15.824  6.6528 -0.5853558     8.812553 
1 1 1 36 7  15 o 19.647  4.8946 3.7901   1.5902  16.698  5.9946 22.597  7.7392 -5.898973      9.789295 
1 1 1 36 7  17 o 28.425  4.1184 9.1102   1.5554  31.506  4.2559 25.345  7.0520 6.160734       8.236716 
1 1 1 36 7  19 o 17.188  4.8713 2.2667   1.6761  15.237  6.0007 19.139  7.6754 -3.902431      9.742637 
1 1 1 36 7  21 o 41.866  3.2638 18.338   1.8389  40.541  3.7799 43.192  5.3219 -2.650810      6.527637 
1 1 1 36 7  23 o 37.881  3.6576 15.684   1.9427  39.142  4.7307 36.620  5.5796 2.522278       7.315101 
1 1 1 36 7  25 o 27.011  5.2982 9.1001   2.1987  21.617  7.7062 32.404  7.2730 -10.78629      10.59633 
1 1 1 36 7  27 o 31.828  4.3826 12.217   1.9070  29.184  7.0664 34.472  5.1862 -5.288227      8.765301 
1 1 1 36 7  29 o 25.433  5.5542 8.8976   2.4479  18.371  7.6226 32.494  8.0804 -14.12314      11.10842 
1 1 1 36 8  0  o 38.848  12.204 20.049   8.3006  38.848  12.204 ?       ?      0.000000       0.000000 
1 1 1 36 8  2  o 95.254  1.7773 91.378   2.3906  96.798  2.5725 93.710  2.4529 3.088356       3.554538 
1 1 1 36 8  4  o 44.516  2.3331 20.282   1.4019  43.201  3.8428 45.830  2.6471 -2.628925      4.666238 
1 1 1 36 8  6  o 84.191  2.3408 72.699   2.6291  81.696  3.9078 86.685  2.5780 -4.989685      4.681581 
1 1 1 36 8  8  o 70.865  2.4244 51.142   2.3225  70.900  3.9625 70.830  2.7945 0.7051086E-01  4.848809 
1 1 1 36 8  10 o 19.422  3.4413 4.1909   0.9752  23.188  3.3043 15.655  6.0374 7.533397       6.882508 
1 1 1 36 8  12 o 42.811  2.7300 18.269   1.4873  40.418  2.8436 45.205  4.6612 -4.786968      5.460075 
1 1 1 36 8  14 o 60.512  2.0487 36.864   1.7274  57.065  2.6854 63.958  3.0948 -6.893318      4.097420 
1 1 1 36 8  16 o 36.663  3.0977 14.016   1.5733  36.510  3.8475 36.816  4.8560 -0.3062439     6.195475 
1 1 1 36 8  18 o 33.413  3.8436 12.875   1.5775  38.702  3.4645 28.123  6.8623 10.57899       7.687240 
1 1 1 36 8  20 o 32.960  4.4154 12.408   1.9608  35.890  4.9814 30.030  7.2917 5.859446       8.830873 
1 1 1 36 8  22 o 44.691  3.4103 21.880   2.0354  48.055  3.7203 41.327  5.7165 6.728020       6.820513 
1 1 1 36 8  24 o 25.591  5.2842 8.0984   2.2915  31.814  7.0124 19.367  7.9068 12.44711       10.56844 
1 1 1 36 8  26 o 16.424  4.9198 1.9073   1.9711  16.013  6.7532 16.834  7.1564 -0.8212643     9.839682 
1 1 1 36 8  28 o 15.418  4.9023 0.2140   2.2662  14.291  6.6469 16.546  7.2074 -2.254686      9.804507 
1 1 1 36 9  1  o 89.740  4.0716 83.770   5.1333  93.510  6.0088 85.970  5.4960 7.539368       8.143212 
1 1 1 36 9  3  o 87.644  3.9999 79.825   4.8741  85.223  5.0947 90.065  6.1678 -4.841957      7.999828 
1 1 1 36 9  5  o 50.955  3.3509 23.778   1.4303  46.182  1.9356 55.728  6.4163 -9.545826      6.701863 
1 1 1 36 9  7  o 49.388  2.9381 24.778   1.9714  51.493  4.7120 47.284  3.5109 4.208054       5.876155 
1 1 1 36 9  9  o 22.895  5.2207 5.6147   1.7962  24.294  8.4049 21.496  6.1952 2.798153       10.44142 
1 1 1 36 9  11 o 20.408  5.2306 3.9489   1.8585  20.329  8.3737 20.487  6.2705 -0.1585674     10.46128 
1 1 1 36 9  13 o 29.157  3.1749 8.6307   1.2459  27.030  3.7795 31.284  5.1025 -4.253740      6.349872 
1 1 1 36 9  15 o 33.579  3.2764 11.511   1.5116  29.900  4.2710 37.258  4.9698 -7.358696      6.552884 
1 1 1 36 9  17 o 20.201  4.7682 4.4130   1.5987  21.033  6.0498 19.369  7.3716 1.664057       9.536305 
1 1 1 36 9  19 o 32.915  4.2251 12.649   1.7744  37.943  4.0387 27.888  7.4225 10.05508       8.450169 
1 1 1 36 9  21 o 27.677  5.0620 9.2553   1.9986  29.196  6.5100 26.157  7.7535 3.039513       10.12409 
1 1 1 36 9  23 o 17.183  4.9421 1.1893   2.1271  20.539  7.4543 13.827  6.4909 6.711271       9.884279 
1 1 1 36 9  25 o 21.090  5.0961 4.9803   1.9986  26.620  7.7113 15.560  6.6645 11.05928       10.19217 
1 1 1 36 9  27 o 19.381  5.5233 4.2383   2.3556  17.243  7.3513 21.520  8.2455 -4.276817      11.04669 
1 1 1 36 10 0  o 85.711  5.5606 76.237   9.4499  85.711  5.5606 ?       ?      0.000000       0.000000 
1 1 1 36 10 2  o 62.604  5.5151 43.591   4.5104  59.692  9.4130 65.517  5.7500 -5.824440      11.03028 
1 1 1 36 10 4  o 32.772  8.0592 13.214   4.4899  31.575  10.522 33.970  12.210 -2.394566      16.11849 
1 1 1 36 10 6  o 59.556  4.7841 38.533   3.9972  60.157  7.2175 58.956  6.2815 1.201050       9.568172 
1 1 1 36 10 8  o 33.864  6.4029 12.287   2.0581  33.419  3.8212 34.309  12.222 -0.8898392     12.80579 
1 1 1 36 10 10 o 90.438  2.7415 85.130   3.0439  92.780  2.5463 88.097  4.8560 4.682564       5.483086 
1 1 1 36 10 12 o 60.071  4.4328 38.322   3.4556  57.934  4.7391 62.208  7.4927 -4.274300      8.865641 
1 1 1 36 10 14 o 46.312  2.4867 21.955   1.6125  44.927  3.2688 47.698  3.7482 -2.771046      4.973355 
1 1 1 36 10 16 o 15.294  4.5390 0.9180   1.6432  15.315  6.1068 15.273  6.7168 0.4166031E-01  9.077948 
1 1 1 36 10 18 o 15.565  4.4829 0.6455   1.7274  18.062  6.5586 13.069  6.1131 4.992797       8.965735 
1 1 1 36 10 20 o 21.661  5.2064 5.3840   1.9464  23.223  6.9147 20.099  7.7854 3.123516       10.41275 
1 1 1 36 10 22 o 17.352  5.1330 2.0684   2.0761  16.433  6.8314 18.272  7.6631 -1.838835      10.26602 
1 1 1 36 10 24 o 14.540  4.6176 -0.3213  1.9773  14.287  6.4197 14.793  6.6390 -0.5056381     9.235164 
1 1 1 36 10 26 o 24.196  5.6217 7.8483   2.2827  20.046  7.6126 28.346  8.2743 -8.299345      11.24349 
1 1 1 36 10 28 o 17.719  5.3412 3.0648   2.3469  17.473  7.3379 17.964  7.7633 -0.4910450     10.68234 
1 1 1 36 11 1  o 23.458  7.1328 2.3213   4.2983  26.002  10.742 20.914  9.3875 5.087835       14.26562 
1 1 1 36 11 3  o 43.323  8.0878 24.284   5.0518  38.533  11.442 48.113  11.434 -9.579334      16.17559 
1 1 1 36 11 5  o 29.462  7.5035 9.3773   4.4190  35.076  10.787 23.848  10.433 11.22811       15.00700 
1 1 1 36 11 7  o 26.453  6.6422 5.4592   3.8214  18.701  8.7348 34.205  10.009 -15.50361      13.28449 
1 1 1 36 11 9  o 55.891  3.7738 29.464   2.0490  50.291  2.6662 61.491  7.0610 -11.20012      7.547570 
1 1 1 36 11 11 o 43.950  4.7347 22.629   2.2695  49.341  3.4940 38.559  8.8012 10.78115       9.469371 
1 1 1 36 11 13 o 30.589  6.3721 10.134   2.4469  25.232  6.7131 35.946  10.833 -10.71394      12.74424 
1 1 1 36 11 15 o 29.897  5.5192 10.052   1.4669  31.227  2.8626 28.567  10.661 2.660089       11.03845 
1 1 1 36 11 17 o 40.546  4.9324 16.318   1.8641  36.213  3.3500 44.878  9.2785 -8.664864      9.864712 
1 1 1 36 11 19 o 15.223  4.9701 -0.8620  1.9155  12.977  5.5456 17.468  8.2494 -4.490838      9.940150 
1 1 1 36 11 21 f 29.744  5.4629 11.632   2.2384  35.814  4.2788 23.674  10.053 12.14060       10.92586 
1 1 1 36 11 23 o 19.214  5.6509 2.8459   2.3716  18.976  6.8327 19.452  9.0026 -0.4761887     11.30188 
1 1 1 36 11 25 o 23.651  5.9064 7.3233   2.4115  25.192  6.5354 22.111  9.8402 3.080988       11.81274 
1 1 1 36 11 27 o 18.087  5.6848 2.5921   2.7347  17.046  7.1972 19.128  8.8017 -2.081728      11.36969 
1 1 1 36 12 0  f 31.853  12.567 15.452   7.6621  31.853  12.567 ?       ?      0.000000       0.000000 
1 1 1 36 12 2  o 68.575  5.1353 52.493   4.8677  63.322  8.1676 73.827  6.2271 -10.50445      10.27060 
1 1 1 36 12 4  o 30.038  7.8711 10.882   4.4613  29.511  11.289 30.565  10.972 -1.053492      15.74225 
1 1 1 36 12 6  o 41.038  7.1240 20.999   4.0627  40.234  11.080 41.843  8.9577 -1.608112      14.24809 
1 1 1 36 12 8  o 62.412  4.8594 43.175   4.2458  56.986  7.3950 67.837  6.3063 -10.85078      9.718796 
1 1 1 36 12 10 o 33.802  6.0262 12.615   1.9252  33.954  3.5730 33.651  11.511 0.3030586      12.05244 
1 1 1 36 12 12 o 25.906  6.0998 6.8990   2.1678  20.228  6.6000 31.584  10.260 -11.35513      12.19960 
1 1 1 36 12 14 o 82.106  3.4612 72.430   3.4165  84.882  3.0841 79.330  6.1975 5.551735       6.922488 
1 1 1 36 12 16 o 71.586  3.5037 54.663   3.0210  72.727  3.1606 70.445  6.2540 2.281654       7.007318 
1 1 1 36 12 18 o 38.521  5.9021 17.116   2.0762  39.239  3.4171 37.803  11.299 1.436161       11.80429 
1 1 1 36 12 20 o 19.493  5.6609 3.2127   1.9962  15.032  6.0615 23.954  9.5625 -8.921941      11.32181 
1 1 1 36 12 22 o 19.584  5.2821 3.7173   2.1377  21.307  6.8646 17.861  8.0300 3.446003       10.56424 
1 1 1 36 12 24 o 18.005  5.4533 1.8602   2.5100  18.605  7.1156 17.406  8.2659 1.199278       10.90669 
1 1 1 36 12 26 o 17.452  5.3823 1.8275   2.4632  17.683  6.9400 17.220  8.2289 0.4632969      10.76468 
1 1 1 36 13 1  o 32.753  8.2613 13.957   4.8518  30.957  11.543 34.548  11.822 -3.591516      16.52263 
1 1 1 36 13 3  o 51.600  6.3073 31.478   4.4695  47.668  9.7131 55.532  8.0486 -7.863266      12.61450 
1 1 1 36 13 5  o 25.290  7.5035 5.3598   4.5298  25.540  10.740 25.041  10.482 0.4989414      15.00701 
1 1 1 36 13 7  o 39.060  7.3983 19.678   4.1793  43.778  10.599 34.342  10.325 9.435795       14.79661 
1 1 1 36 13 9  o 51.533  5.7020 30.318   4.0874  53.178  8.7650 49.887  7.2954 3.291122       11.40393 
1 1 1 36 13 11 f 26.505  5.4526 7.8071   1.8572  28.643  4.2354 24.367  10.049 4.275766       10.90518 
1 1 1 36 13 13 o 18.539  5.6472 1.8273   2.2925  16.153  6.5585 20.926  9.1951 -4.772163      11.29440 
1 1 1 36 13 15 o 49.310  4.5592 28.048   2.6005  53.801  3.7978 44.820  8.2898 8.980564       9.118330 
1 1 1 36 13 17 o 24.257  6.3031 6.9782   2.7188  24.028  7.7329 24.486  9.9558 -0.4573174     12.60621 
1 1 1 36 13 19 o 26.535  6.1396 8.4217   2.1722  26.599  5.4687 26.471  10.994 0.1273823      12.27910 
1 1 1 36 13 21 o 45.816  4.0905 21.810   2.2192  41.078  3.8859 50.554  7.1992 -9.475868      8.180972 
1 1 1 36 13 23 o 18.709  5.5582 3.3574   2.2275  16.983  6.6805 20.436  8.8851 -3.453020      11.11639 
1 1 1 36 13 25 o 26.207  5.8416 10.096   2.4789  28.907  6.7435 23.507  9.5406 5.400578       11.68326 
1 1 1 36 14 0  o 90.226  5.7084 85.432   10.216  90.226  5.7084 ?       ?      0.000000       0.000000 
1 1 1 36 14 2  o 85.450  4.1469 79.107   4.9599  83.294  6.3625 87.606  5.3205 -4.312103      8.293900 
1 1 1 36 14 4  o 70.182  4.6357 54.273   4.5972  68.544  6.7070 71.819  6.4011 -3.275238      9.271359 
1 1 1 36 14 6  o 23.890  7.4113 2.7607   4.7686  23.576  10.074 24.205  10.873 -0.6292458     14.82264 
1 1 1 36 14 8  o 28.357  7.4124 9.3820   4.0854  32.380  10.862 24.334  10.089 8.045797       14.82473 
1 1 1 36 14 10 o 23.734  7.1630 3.2617   4.5086  21.255  9.9420 26.213  10.315 -4.958363      14.32606 
1 1 1 36 14 12 o 20.423  6.1380 2.9316   2.1376  14.850  6.0318 25.996  10.692 -11.14594      12.27603 
1 1 1 36 14 14 o 18.483  5.7274 1.2588   2.5231  16.700  6.8775 20.265  9.1605 -3.565420      11.45489 
1 1 1 36 14 16 o 26.436  6.4136 8.7407   2.6953  25.641  7.4984 27.231  10.407 -1.590391      12.82711 
1 1 1 36 14 18 o 47.328  4.4219 25.370   2.7314  47.922  4.6633 46.734  7.5145 1.188622       8.843843 
1 1 1 36 14 20 o 47.716  6.2313 30.594   2.5939  55.205  3.1228 40.228  12.065 14.97683       12.46257 
1 1 1 36 14 22 o 34.174  6.3389 16.158   2.6221  36.795  4.8589 31.553  11.710 5.241938       12.67779 
1 1 1 36 14 24 o 15.835  5.1255 0.3279   2.3774  14.466  6.4143 17.203  7.9963 -2.736184      10.25108 
1 1 1 36 15 1  f 86.146  4.2792 80.294   5.0931  86.006  6.7558 86.285  5.2539 -0.2794952     8.558320 
1 1 1 36 15 3  o 47.361  7.1470 28.589   4.6146  41.737  12.035 52.985  7.7124 -11.24840      14.29392 
1 1 1 36 15 5  o 32.457  8.3853 14.082   4.8168  29.550  10.636 35.364  12.966 -5.814135      16.77058 
1 1 1 36 15 7  o 21.961  6.8981 0.7064   4.4258  22.989  9.6607 20.934  9.8491 2.054773       13.79619 
1 1 1 36 15 9  o 22.181  6.6726 3.5150   3.7401  21.002  9.4082 23.359  9.4647 -2.356749      13.34519 
1 1 1 36 15 11 o 24.974  7.0606 6.8775   3.6979  27.529  10.749 22.419  9.1576 5.109665       14.12127 
1 1 1 36 15 13 o 17.795  5.7282 0.1631   2.4655  15.333  6.4269 20.257  9.4839 -4.924400      11.45639 
1 1 1 36 15 15 o 22.727  6.1139 5.8742   2.6005  22.201  7.6199 23.253  9.5634 -1.052011      12.22790 
1 1 1 36 15 17 f 44.599  4.5420 22.552   2.8222  40.779  6.1066 48.420  6.7253 -7.641209      9.084043 
1 1 1 36 15 19 o 56.894  4.1084 37.379   3.0674  60.908  4.2981 52.881  7.0031 8.026783       8.216899 
1 1 1 36 15 21 o 27.676  5.8085 10.293   2.1975  31.064  4.5219 24.287  10.701 6.777142       11.61705 
1 1 1 36 15 23 o 21.705  6.4308 6.3206   2.7529  19.869  7.2100 23.541  10.651 -3.672112      12.86166 
1 1 1 36 16 0  o 26.512  12.865 12.515   7.9175  26.512  12.865 ?       ?      0.000000       0.000000 
1 1 1 36 16 2  o 24.713  7.4527 5.1248   4.5919  27.825  11.387 21.600  9.6182 6.224655       14.90540 
1 1 1 36 16 4  o 29.250  8.4702 11.142   5.7783  25.556  11.320 32.944  12.603 -7.387300      16.94036 
1 1 1 36 16 6  o 38.737  8.7604 23.369   5.6181  33.562  12.562 43.912  12.213 -10.35015      17.52080 
1 1 1 36 16 8  o 32.109  7.7917 14.502   4.2437  33.103  11.495 31.114  10.522 1.989702       15.58337 
1 1 1 36 16 10 o 28.904  7.4407 11.107   4.1358  25.864  10.882 31.944  10.151 -6.080290      14.88147 
1 1 1 36 16 12 o 27.729  7.9412 9.6911   5.1648  23.443  10.626 32.016  11.804 -8.572454      15.88248 
1 1 1 36 16 14 o 34.211  6.5043 15.208   2.7862  36.608  5.2326 31.814  11.910 4.793629       13.00867 
1 1 1 36 16 16 o 67.907  3.5837 49.974   3.1621  67.719  3.7715 68.096  6.0948 -0.3767776     7.167318 
1 1 1 36 16 18 o 55.715  3.8982 34.370   2.8551  53.546  4.2928 57.884  6.5081 -4.337875      7.796385 
1 1 1 36 16 20 o 52.539  5.4860 35.264   3.0344  57.720  3.8717 47.357  10.266 10.36292       10.97199 
1 1 1 36 16 22 o 16.757  5.4406 0.9148   2.4393  15.115  6.3853 18.400  8.8108 -3.285507      10.88126 
1 1 1 36 17 1  o 25.200  7.2057 7.1043   3.9597  25.089  9.8844 25.311  10.488 -0.2219372     14.41142 
1 1 1 36 17 3  o 22.369  7.0796 1.6918   4.6272  21.672  9.8676 23.066  10.154 -1.394758      14.15913 
1 1 1 36 17 5  o 21.477  7.0154 -0.9520  4.8493  19.307  9.0376 23.647  10.732 -4.339863      14.03084 
1 1 1 36 17 7  o 32.296  8.4507 15.218   5.0387  37.579  13.044 27.014  10.748 10.56432       16.90137 
1 1 1 36 17 9  o 30.864  7.8475 13.496   4.9516  25.365  11.381 36.363  10.808 -10.99872      15.69504 
1 1 1 36 17 11 o 30.744  8.5131 15.099   5.2350  31.949  12.944 29.540  11.060 2.409243       17.02616 
1 1 1 36 17 13 o 21.277  6.9283 0.6627   4.8493  20.997  9.8565 21.556  9.7394 -0.5591335     13.85659 
1 1 1 36 17 15 o 14.631  4.8728 -3.0815  2.4978  13.997  6.3767 15.266  7.3699 -1.269031      9.745643 
1 1 1 36 17 17 o 31.889  5.7204 13.942   2.6186  35.569  6.8878 28.209  9.1350 7.359491       11.44072 
1 1 1 36 17 19 o 35.312  6.2879 18.172   3.1606  38.690  7.6996 31.935  9.9432 6.755190       12.57585 
1 1 1 36 17 21 o 40.531  5.6384 22.586   2.1695  46.651  3.1480 34.412  10.828 12.23875       11.27678 
1 1 1 36 18 0  o 39.411  14.680 25.285   10.727  39.411  14.680 ?       ?      0.000000       0.000000 
1 1 1 36 18 2  o 22.202  6.9906 2.2630   4.4686  23.230  10.119 21.173  9.6473 2.056631       13.98118 
1 1 1 36 18 4  o 29.426  7.4898 12.096   4.0824  32.334  10.608 26.517  10.576 5.816650       14.97952 
1 1 1 36 18 6  o 30.223  7.6490 13.210   4.3184  33.590  10.672 26.856  10.961 6.733644       15.29806 
1 1 1 36 18 8  o 29.156  7.8078 12.506   4.3161  30.464  11.835 27.848  10.187 2.615673       15.61557 
1 1 1 36 18 10 o 47.029  7.1711 30.709   4.6184  46.277  10.693 47.780  9.5584 -1.502987      14.34223 
1 1 1 36 18 12 o 21.110  6.8389 1.0642   4.5751  23.044  10.321 19.176  8.9752 3.868105       13.67786 
1 1 1 36 18 14 o 16.875  5.2490 1.4968   1.9074  14.659  5.8297 19.090  8.7304 -4.431427      10.49790 
1 1 1 36 18 16 o 19.935  5.9502 4.1510   2.6172  17.346  7.1913 22.523  9.4818 -5.177221      11.90036 
1 1 1 36 18 18 o 26.851  6.4626 11.164   2.9344  27.659  8.4530 26.043  9.7779 1.616131       12.92525 
1 1 1 36 18 20 o 20.997  6.3162 6.0501   3.1130  20.080  8.0199 21.914  9.7601 -1.833494      12.63244 
1 1 1 36 19 1  o 37.198  8.1899 21.586   4.8103  35.173  11.974 39.223  11.176 -4.049816      16.37984 
1 1 1 36 19 3  o 31.171  8.0392 14.782   5.0072  25.377  11.008 36.965  11.719 -11.58810      16.07841 
1 1 1 36 19 5  o 25.691  7.3603 8.6571   4.1149  27.672  10.991 23.710  9.7932 3.961649       14.72066 
1 1 1 36 19 7  o 23.326  7.1156 5.5331   4.2694  24.745  10.467 21.907  9.6424 2.838697       14.23118 
1 1 1 36 19 9  o 36.295  7.6831 20.617   4.5405  30.491  11.779 42.099  9.8682 -11.60740      15.36619 
1 1 1 36 19 11 f 24.982  7.4228 8.6883   4.4098  26.704  11.036 23.259  9.9293 3.444221       14.84557 
1 1 1 36 19 13 o 18.957  6.2896 -0.7364  4.3064  18.724  9.0008 19.190  8.7876 -0.4657841     12.57923 
1 1 1 36 19 15 o 16.973  5.3669 1.1404   2.4545  16.062  6.7625 17.884  8.3356 -1.821873      10.73375 
1 1 1 36 19 17 o 27.164  6.5162 10.607   2.6953  21.273  7.5880 33.056  10.596 -11.78335      13.03243 
1 1 1 36 20 0  o 50.812  10.189 32.564   9.1945  50.812  10.189 ?       ?      0.000000       0.000000 
1 1 1 36 20 2  o 26.105  7.1383 8.5444   4.1793  30.806  10.436 21.405  9.7427 9.400921       14.27660 
1 1 1 36 20 4  o 28.959  7.7629 12.929   4.4048  30.883  11.202 27.034  10.750 3.848745       15.52586 
1 1 1 36 20 6  o 25.912  7.0987 8.2722   4.2567  31.083  10.436 20.741  9.6264 10.34228       14.19747 
1 1 1 36 20 8  o 27.355  7.4143 11.858   4.0135  27.533  10.686 27.178  10.281 0.3550701      14.82854 
1 1 1 36 20 10 f 20.007  6.3923 2.6870   3.8564  20.119  9.1457 19.895  8.9331 0.2245770      12.78451 
1 1 1 36 20 12 o 23.684  6.8394 8.2535   3.6384  22.870  9.5931 24.497  9.7510 -1.627657      13.67882 
1 1 1 36 20 14 o 24.295  7.2566 8.7062   4.8376  19.775  9.4804 28.815  10.989 -9.040714      14.51313 
1 1 1 36 20 16 o 16.284  5.3442 0.2128   2.6392  14.631  6.5512 17.936  8.4453 -3.304396      10.68835 
1 1 1 36 21 1  o 52.350  7.5788 41.452   5.4265  48.515  11.262 56.185  10.145 -7.669933      15.15751 
1 1 1 36 21 3  o 59.780  6.5583 49.523   5.3298  65.386  8.0075 54.175  10.389 11.21064       13.11653 
1 1 1 36 21 5  o 22.428  6.9483 6.1162   4.2343  21.942  9.8339 22.914  9.8188 -0.9722271     13.89651 
1 1 1 36 21 7  o 22.364  7.1486 4.7191   4.8493  25.995  11.208 18.734  8.8767 7.261093       14.29711 
1 1 1 36 21 9  o 17.812  5.9021 -1.0678  3.7387  17.820  8.5250 17.805  8.1649 0.1558685E-01  11.80424 
1 1 1 36 21 11 o 17.317  5.9890 -4.5826  4.4134  19.103  9.3391 15.530  7.5002 3.572792       11.97795 
1 1 1 36 21 13 o 22.555  7.2411 7.9870   4.8373  23.997  11.018 21.113  9.3991 2.884029       14.48213 
1 1 1 36 22 0  o 35.839  16.106 27.711   12.259  35.839  16.106 ?       ?      0.000000       0.000000 
1 1 1 36 22 2  o 25.560  7.9168 10.991   5.5721  29.326  12.178 21.793  10.119 7.533255       15.83370 
1 1 1 36 22 4  o 29.243  7.9398 16.181   4.6182  28.785  11.579 29.701  10.867 -0.9160004     15.87970 
1 1 1 36 22 6  o 20.446  6.7802 2.7003   4.5905  22.656  10.572 18.237  8.4926 4.419352       13.56039 
1 1 1 36 22 8  o 23.066  7.1145 8.3515   4.2918  23.344  10.695 22.789  9.3849 0.5546970      14.22903 
1 1 1 36 22 10 o 44.652  7.2777 33.577   4.5040  36.498  12.754 52.805  7.0132 -16.30768      14.55538 
1 1 1 36 23 1  o 40.381  6.9204 25.835   3.9904  46.260  8.8741 34.502  10.622 11.75808       13.84079 
1 1 1 36 23 3  o 35.386  7.3917 21.719   4.0522  39.299  10.037 31.472  10.854 7.826822       14.78339 
1 1 1 36 23 5  o 16.351  5.6046 -4.5182  4.0216  16.127  7.8575 16.575  7.9942 -0.4471512     11.20928 
1 1 1 37 1  0  o 35.589  5.4949 13.536   3.7033  35.589  5.4949 ?       ?      0.000000       0.000000 
1 1 1 37 1  2  o 60.610  2.8717 37.503   2.4545  64.140  3.9820 57.080  4.1388 7.059395       5.743333 
1 1 1 37 1  4  o 59.193  2.6715 35.756   2.2348  60.487  3.6946 57.899  3.8598 2.588840       5.343033 
1 1 1 37 1  6  o 23.047  5.1075 5.6963   1.9218  20.469  7.7406 25.626  6.6655 -5.156818      10.21493 
1 1 1 37 1  8  o 30.287  4.5909 10.080   1.9711  36.897  5.7107 23.678  7.1898 13.21894       9.181823 
1 1 1 37 1  10 o 22.159  5.6342 3.5723   2.2230  30.176  9.3831 14.141  6.2399 16.03532       11.26848 
1 1 1 37 1  12 o 67.165  2.5940 45.936   2.4081  69.422  4.0469 64.908  3.2462 4.514442       5.187983 
1 1 1 37 1  14 o 67.125  2.4845 45.512   2.2042  69.598  4.1284 64.652  2.7653 4.946457       4.968936 
1 1 1 37 1  16 o 62.336  3.1184 40.305   2.5297  62.728  5.2931 61.944  3.2985 0.7837524      6.236703 
1 1 1 37 1  18 o 27.679  6.0605 9.1173   2.3654  28.132  10.277 27.226  6.4274 0.9056702      12.12101 
1 1 1 37 1  20 o 31.239  4.9689 11.606   2.2329  37.538  5.7832 24.940  8.0818 12.59804       9.937894 
1 1 1 37 1  22 o 19.995  5.6188 3.7885   2.3837  18.007  7.4965 21.984  8.3716 -3.976582      11.23752 
1 1 1 37 1  24 o 18.704  5.2421 2.8857   2.1156  15.012  6.6046 22.397  8.1423 -7.385439      10.48419 
1 1 1 37 1  26 o 18.760  5.2720 3.6766   2.1385  20.838  7.7715 16.682  7.1260 4.155170       10.54406 
1 1 1 37 1  28 o 14.640  4.7301 -0.9101  2.2555  13.381  6.4057 15.899  6.9615 -2.518792      9.460166 
1 1 1 37 2  1  o 57.926  2.5759 34.185   2.1051  58.674  3.4823 57.178  3.7967 1.495659       5.151863 
1 1 1 37 2  3  o 32.040  3.8308 10.806   1.6866  35.288  5.0663 28.792  5.7475 6.495859       7.661654 
1 1 1 37 2  5  o 44.684  3.1114 20.751   1.8623  43.190  5.1742 46.177  3.4568 -2.986656      6.222712 
1 1 1 37 2  7  o 45.537  3.0029 21.381   1.8815  45.419  4.7798 45.655  3.6362 -0.2360458     6.005721 
1 1 1 37 2  9  o 50.365  3.0745 26.495   2.0813  48.932  5.0890 51.798  3.4515 -2.865585      6.149049 
1 1 1 37 2  11 o 48.534  3.0236 24.022   2.0157  51.258  4.7335 45.809  3.7633 5.448944       6.047227 
1 1 1 37 2  13 o 50.674  3.1346 26.828   2.0507  49.889  5.3754 51.459  3.2261 -1.570499      6.269186 
1 1 1 37 2  15 o 52.359  3.2904 28.946   2.1727  51.174  5.7395 53.545  3.2197 -2.370693      6.580859 
1 1 1 37 2  17 o 62.470  3.0058 40.320   2.4121  63.264  5.1473 61.676  3.1058 1.588177       6.011668 
1 1 1 37 2  19 o 33.000  4.2858 12.224   1.9427  34.326  5.3944 31.674  6.6613 2.652115       8.571568 
1 1 1 37 2  21 o 29.087  5.2918 10.272   2.1987  31.521  7.4092 26.654  7.5574 4.866741       10.58353 
1 1 1 37 2  23 o 18.589  5.2524 3.1074   2.0993  20.433  7.8164 16.745  7.0182 3.688049       10.50480 
1 1 1 37 2  25 o 26.593  6.0557 9.7989   2.8037  22.417  9.2169 30.769  7.8571 -8.351585      12.11132 
1 1 1 37 2  27 o 17.127  4.7304 1.1230   2.0108  11.598  5.6061 22.657  7.6210 -11.05941      9.460875 
1 1 1 37 3  0  o 132.992 2.7392 178.015  7.2790  132.992 2.7392 ?       ?      0.000000       0.000000 
1 1 1 37 3  2  o 126.190 1.8788 160.859  3.3518  125.344 2.6998 127.037 2.6136 -1.693771      3.757649 
1 1 1 37 3  4  o 62.777  2.4112 40.551   2.1051  57.557  3.7717 67.997  3.0049 -10.43920      4.822379 
1 1 1 37 3  6  o 18.400  4.7587 2.7091   1.7308  16.152  7.0167 20.647  6.4302 -4.494877      9.517454 
1 1 1 37 3  8  o 30.520  4.5782 10.335   1.8112  28.927  7.9326 32.112  4.5733 -3.184498      9.156443 
1 1 1 37 3  10 o 53.042  2.7504 29.211   1.9500  51.573  4.5808 54.512  3.0454 -2.938782      5.500771 
1 1 1 37 3  12 o 44.116  3.4419 20.713   2.0157  41.891  5.7919 46.341  3.7202 -4.449562      6.883780 
1 1 1 37 3  14 o 58.289  2.7642 35.197   2.0691  57.755  4.7538 58.823  2.8222 -1.067856      5.528424 
1 1 1 37 3  16 o 61.398  2.5714 38.511   2.2056  58.493  3.3839 64.304  3.8725 -5.810787      5.142715 
1 1 1 37 3  18 o 39.053  3.5973 16.436   1.9773  40.211  4.7637 37.896  5.3916 2.314308       7.194597 
1 1 1 37 3  20 o 49.770  2.8659 25.867   1.9865  50.593  4.4171 48.946  3.6526 1.647194       5.731724 
1 1 1 37 3  22 o 44.481  3.4476 21.273   2.1540  42.505  4.6568 46.457  5.0852 -3.952221      6.895279 
1 1 1 37 3  24 o 19.748  5.3547 4.0124   2.1802  21.556  7.4900 17.939  7.6544 3.616854       10.70934 
1 1 1 37 3  26 o 14.780  4.9581 -3.1045  2.7478  15.713  7.4079 13.848  6.5920 1.864206       9.916264 
1 1 1 37 3  28 o 16.758  5.1142 1.9265   2.2275  18.823  7.7629 14.693  6.6601 4.130186       10.22839 
1 1 1 37 4  1  o 42.128  2.7051 18.164   1.5733  41.717  4.2856 42.539  3.3022 -0.8219643     5.410209 
1 1 1 37 4  3  o 31.321  3.7528 10.484   1.5860  29.432  6.0648 33.210  4.4220 -3.778128      7.505672 
1 1 1 37 4  5  o 29.247  4.2053 9.2441   1.7145  35.446  5.2239 23.048  6.5916 12.39758       8.410646 
1 1 1 37 4  7  o 69.843  2.3226 49.499   2.1907  70.774  3.7891 68.912  2.6870 1.862167       4.645173 
1 1 1 37 4  9  f 92.260  2.0483 87.026   2.6402  88.743  3.1658 95.777  2.6000 -7.033951      4.096586 
1 1 1 37 4  11 o 76.379  2.0876 59.271   2.1892  76.690  3.3303 76.069  2.5181 0.6210403      4.175183 
1 1 1 37 4  13 o 66.248  2.0937 44.766   1.9218  66.445  2.5946 66.051  3.2867 0.3939819      4.187386 
1 1 1 37 4  15 o 15.188  4.3912 0.9877   1.5585  16.713  6.3529 13.663  6.0640 3.049958       8.782446 
1 1 1 37 4  17 f 57.380  2.6104 34.241   2.0993  58.677  3.3733 56.084  3.9847 2.593189       5.220840 
1 1 1 37 4  19 o 52.753  2.8279 29.000   2.0897  51.761  3.7007 53.745  4.2769 -1.984135      5.655700 
1 1 1 37 4  21 o 52.733  2.9130 29.236   2.1540  51.537  3.8407 53.928  4.3807 -2.391460      5.825947 
1 1 1 37 4  23 o 29.151  4.8703 10.298   1.9773  28.058  7.2370 30.243  6.5197 -2.185287      9.740627 
1 1 1 37 4  25 o 16.763  5.1265 1.6747   2.2056  16.328  6.9385 17.197  7.5485 -0.8688564     10.25294 
1 1 1 37 4  27 o 26.835  6.5107 11.227   2.9792  26.482  9.5661 27.189  8.8343 -0.7076454     13.02134 
1 1 1 37 5  0  o 17.712  7.5133 4.5972   2.6817  17.712  7.5133 ?       ?      0.000000       0.000000 
1 1 1 37 5  2  o 63.078  2.0400 40.327   1.8192  61.879  2.8892 64.277  2.8807 -2.398766      4.079984 
1 1 1 37 5  4  o 88.453  1.8633 79.196   2.3301  86.700  2.6512 90.207  2.6189 -3.507118      3.726660 
1 1 1 37 5  6  o 46.130  2.4741 21.346   1.5043  48.090  4.1160 44.171  2.7465 3.919250       4.948179 
1 1 1 37 5  8  o 49.931  2.6978 26.076   1.7251  47.840  4.6713 52.022  2.7002 -4.182087      5.395567 
1 1 1 37 5  10 o 67.742  2.1266 46.582   1.9500  67.294  2.4670 68.189  3.4646 -0.8956909     4.253132 
1 1 1 37 5  12 o 51.676  2.5338 27.760   1.8057  54.457  3.0485 48.895  4.0482 5.561596       5.067619 
1 1 1 37 5  14 o 54.568  2.4995 30.687   1.8964  55.077  3.1301 54.060  3.8977 1.017223       4.998919 
1 1 1 37 5  16 o 56.249  2.5705 32.837   1.9702  57.415  3.0026 55.082  4.1731 2.333145       5.141016 
1 1 1 37 5  18 o 42.731  3.3208 19.572   1.8841  44.238  3.6083 41.224  5.5760 3.014515       6.641664 
1 1 1 37 5  20 o 28.523  4.7736 9.5435   1.9070  24.726  6.9456 32.320  6.5503 -7.594538      9.547135 
1 1 1 37 5  22 o 23.010  5.4606 6.3164   2.1156  19.443  7.2904 26.577  8.1314 -7.133446      10.92110 
1 1 1 37 5  24 o 16.998  5.0507 1.9627   2.0746  18.176  7.3858 15.819  6.8913 2.357197       10.10147 
1 1 1 37 5  26 o 19.573  5.3005 4.4962   2.1004  20.753  7.2411 18.394  7.7426 2.358355       10.60104 
1 1 1 37 5  28 o 37.983  5.3802 18.894   2.7165  42.673  8.0743 33.292  7.1127 9.381104       10.76032 
1 1 1 37 6  1  o 47.411  2.0943 22.795   1.4018  48.858  3.0058 45.964  2.9172 2.894058       4.188636 
1 1 1 37 6  3  o 12.518  3.7002 0.3430   1.1165  11.516  5.0865 13.520  5.3754 -2.003841      7.400437 
1 1 1 37 6  5  o 21.076  4.1115 4.8718   1.2483  20.786  6.4216 21.365  5.1362 -0.5791359     8.222979 
1 1 1 37 6  7  o 28.028  3.1940 8.1434   1.2246  24.918  4.5227 31.137  4.5113 -6.218941      6.388033 
1 1 1 37 6  9  o 58.327  2.0528 34.571   1.6866  57.836  2.7600 58.818  3.0396 -0.9817390     4.105641 
1 1 1 37 6  11 o 64.516  2.1475 42.524   1.8389  65.012  2.3571 64.020  3.5905 0.9926453      4.295063 
1 1 1 37 6  13 o 55.211  2.2894 31.027   1.7673  53.160  3.0028 57.262  3.4567 -4.102032      4.578808 
1 1 1 37 6  15 o 36.485  3.1565 13.799   1.5975  34.886  4.0266 38.084  4.8621 -3.197849      6.312946 
1 1 1 37 6  17 o 29.172  4.6044 9.8682   1.8164  30.089  5.5104 28.255  7.3781 1.834564       9.208700 
1 1 1 37 6  19 o 16.477  4.9001 1.2605   1.9608  17.111  6.8638 15.844  6.9953 1.267309       9.800271 
1 1 1 37 6  21 o 27.291  4.6086 8.7998   1.7414  27.396  5.9914 27.186  7.0043 0.2101269      9.217252 
1 1 1 37 6  23 o 18.328  5.0598 3.0983   1.9427  15.798  6.7120 20.858  7.5732 -5.059867      10.11956 
1 1 1 37 6  25 o 21.784  5.7920 6.1666   2.3994  20.002  7.6888 23.565  8.6644 -3.562925      11.58403 
1 1 1 37 6  27 o 16.322  5.2719 0.4056   2.6682  15.430  7.0126 17.215  7.8736 -1.785492      10.54374 
1 1 1 37 7  0  o 77.642  2.0591 60.658   3.1925  77.642  2.0591 ?       ?      0.000000       0.000000 
1 1 1 37 7  2  o 60.099  1.5426 36.417   1.3019  60.537  2.3204 59.662  2.0334 0.8744621      3.085294 
1 1 1 37 7  4  o 54.416  1.8400 29.957   1.3786  54.162  2.2399 54.670  2.9198 -0.5080223     3.680007 
1 1 1 37 7  6  o 48.825  2.1049 24.159   1.3002  48.653  2.0998 48.997  3.6488 -0.3439636     4.209845 
1 1 1 37 7  8  o 17.326  3.9151 2.9116   1.0727  13.434  4.9916 21.217  6.0329 -7.782415      7.830175 
1 1 1 37 7  10 o 17.421  4.3312 2.9462   1.2314  16.332  5.2093 18.511  6.9211 -2.178415      8.662488 
1 1 1 37 7  12 o 32.571  3.1513 11.005   1.3002  32.373  3.1557 32.769  5.4558 -0.3958206     6.302678 
1 1 1 37 7  14 o 47.843  2.6659 24.494   1.6192  51.871  2.5850 43.815  4.6632 8.056023       5.331775 
1 1 1 37 7  16 f 57.002  2.3917 33.466   1.8815  56.468  2.9399 57.535  3.7732 -1.066887      4.783319 
1 1 1 37 7  18 o 63.739  2.2439 41.772   1.9865  63.594  2.8113 63.884  3.4982 -0.2897110     4.487801 
1 1 1 37 7  20 o 39.622  3.4960 16.940   1.9218  39.506  4.3639 39.738  5.4631 -0.2319908     6.992073 
1 1 1 37 7  22 o 23.252  5.2995 6.6587   1.9702  23.607  6.8826 22.897  8.0603 0.7102299      10.59894 
1 1 1 37 7  24 o 16.316  4.7582 1.7985   1.8623  14.971  6.8086 17.661  6.6486 -2.689299      9.516388 
1 1 1 37 7  26 o 17.249  5.0439 2.8277   2.0067  16.051  6.8234 18.447  7.4300 -2.396164      10.08778 
1 1 1 37 8  1  o 107.891 3.8724 123.380  5.9046  108.587 5.3509 107.195 5.5991 1.392464       7.744813 
1 1 1 37 8  3  o 23.738  3.3395 5.9118   1.0254  24.065  5.6603 23.412  3.5454 0.6527081      6.679050 
1 1 1 37 8  5  o 25.221  4.3470 7.2060   1.5324  22.702  7.0998 27.741  5.0177 -5.038860      8.693919 
1 1 1 37 8  7  o 30.710  4.0607 9.4924   1.5324  34.476  6.9111 26.944  4.2655 7.531471       8.121434 
1 1 1 37 8  9  o 49.439  1.8952 24.762   1.2708  49.120  2.2098 49.759  3.0797 -0.6394577     3.790463 
1 1 1 37 8  11 o 59.570  2.1092 35.662   1.5726  58.204  2.0843 60.936  3.6674 -2.732647      4.218304 
1 1 1 37 8  13 o 47.275  2.3394 22.856   1.4659  47.179  2.5714 47.371  3.9089 -0.1913681     4.678811 
1 1 1 37 8  15 o 34.207  3.8334 12.788   1.7513  34.399  4.4548 34.014  6.2398 0.3846016      7.666877 
1 1 1 37 8  17 o 18.939  4.9762 3.5027   1.7513  16.497  6.4352 21.380  7.5919 -4.882816      9.952330 
1 1 1 37 8  19 o 34.961  4.0129 14.197   1.8057  41.045  4.0446 28.876  6.9322 12.16966       8.025788 
1 1 1 37 8  21 o 34.535  4.1220 13.638   1.8815  36.460  4.5533 32.609  6.8724 3.850510       8.243934 
1 1 1 37 8  23 o 18.729  5.2177 2.9649   2.1987  14.592  6.6293 22.867  8.0592 -8.275244      10.43542 
1 1 1 37 8  25 o 15.589  5.1314 -0.5549  2.4248  13.720  6.2283 17.457  8.1567 -3.737360      10.26271 
1 1 1 37 9  0  o 50.869  9.8190 30.521   8.9391  50.869  9.8190 ?       ?      0.000000       0.000000 
1 1 1 37 9  2  o 88.233  4.2108 83.379   5.1174  88.712  5.1102 87.754  6.6940 0.9572754      8.421621 
1 1 1 37 9  4  o 87.147  4.0158 80.719   4.8336  87.758  6.3299 86.535  4.9436 1.222748       8.031631 
1 1 1 37 9  6  o 22.982  6.6985 3.4722   2.4324  14.944  6.2848 31.019  11.831 -16.07476      13.39704 
1 1 1 37 9  8  o 21.376  4.7411 4.9478   1.5881  19.686  7.8238 23.067  5.3573 -3.380575      9.482194 
1 1 1 37 9  10 o 36.039  4.4535 14.419   1.9503  34.651  7.9102 37.427  4.0944 -2.775963      8.907040 
1 1 1 37 9  12 o 31.964  3.3329 10.325   1.3857  29.428  3.6885 34.499  5.5524 -5.070694      6.665866 
1 1 1 37 9  14 o 51.396  2.2507 27.016   1.5043  50.997  2.3789 51.796  3.8215 -0.7994385     4.501413 
1 1 1 37 9  16 o 30.119  4.1557 10.380   1.6625  33.553  4.3769 26.685  7.0656 6.867340       8.311412 
1 1 1 37 9  18 o 14.493  4.2873 0.2912   1.5937  16.934  6.4741 12.053  5.6224 4.880996       8.574680 
1 1 1 37 9  20 o 23.090  5.2650 6.5292   1.9464  23.416  6.9004 22.764  7.9539 0.6521034      10.52998 
1 1 1 37 9  22 o 22.152  5.2477 6.1173   1.9279  22.751  6.7877 21.552  8.0050 1.198793       10.49539 
1 1 1 37 9  24 o 16.057  4.9903 0.6846   2.2543  17.043  7.0725 15.071  7.0421 1.971199       9.980599 
1 1 1 37 9  26 o 20.341  5.5207 5.3876   2.3193  22.088  7.6161 18.595  7.9941 3.493692       11.04131 
1 1 1 37 10 1  o 42.870  7.7768 23.867   4.7086  43.674  10.005 42.066  11.908 1.607105       15.55361 
1 1 1 37 10 3  o 63.513  5.0331 45.038   4.4659  59.145  7.7729 67.881  6.3963 -8.735867      10.06626 
1 1 1 37 10 5  o 55.330  6.7215 36.230   4.3687  54.226  12.087 56.435  5.8833 -2.208321      13.44301 
1 1 1 37 10 7  o 17.818  5.5772 1.3960   1.4149  13.433  4.8320 22.203  10.054 -8.769589      11.15446 
1 1 1 37 10 9  o 38.486  5.6267 17.569   2.0269  41.941  3.1970 35.031  10.790 6.910614       11.25347 
1 1 1 37 10 11 o 17.437  5.4208 0.8050   2.1337  14.618  6.1532 20.257  8.9264 -5.638468      10.84168 
1 1 1 37 10 13 o 18.613  6.1023 -0.8805  3.1455  15.176  6.9025 22.051  10.065 -6.875075      12.20456 
1 1 1 37 10 15 o 18.533  4.5336 3.5895   1.3686  17.715  5.5305 19.350  7.1852 -1.634491      9.067134 
1 1 1 37 10 17 o 19.084  4.5019 3.5853   1.6432  23.017  6.0306 15.152  6.6860 7.865282       9.003887 
1 1 1 37 10 19 o 23.242  5.0911 6.4240   1.8571  19.541  6.8527 26.943  7.5312 -7.402149      10.18227 
1 1 1 37 10 21 o 24.979  5.2461 7.8242   1.9986  22.026  7.2550 27.931  7.5797 -5.905443      10.49227 
1 1 1 37 10 23 o 18.729  5.1589 3.5292   2.1051  21.686  7.6027 15.772  6.9753 5.914316       10.31771 
1 1 1 37 10 25 o 18.759  5.4191 3.9162   2.2827  16.452  7.0797 21.066  8.2062 -4.614777      10.83812 
1 1 1 37 11 0  o 61.594  7.5471 42.014   9.0668  61.594  7.5471 ?       ?      0.000000       0.000000 
1 1 1 37 11 2  o 48.715  6.9819 28.399   4.4565  41.576  9.0077 55.855  10.670 -14.27923      13.96384 
1 1 1 37 11 4  o 55.659  5.9533 36.505   4.4741  52.585  9.5831 58.733  7.0663 -6.147655      11.90664 
1 1 1 37 11 6  o 29.461  7.7284 8.2876   5.2120  22.472  10.560 36.450  11.287 -13.97772      15.45683 
1 1 1 37 11 8  o 53.441  6.9292 35.296   5.0313  54.270  10.142 52.613  9.4448 1.656639       13.85849 
1 1 1 37 11 10 o 37.447  5.0590 14.797   2.0271  35.000  4.0134 39.894  9.2879 -4.894287      10.11798 
1 1 1 37 11 12 o 23.267  5.9282 5.7171   2.1218  18.870  6.5871 27.664  9.8582 -8.794315      11.85642 
1 1 1 37 11 14 f 30.307  6.0669 9.9064   2.3280  22.245  6.8185 38.369  10.037 -16.12386      12.13375 
1 1 1 37 11 16 o 26.368  5.8898 6.4058   1.8501  16.039  5.8344 36.697  10.233 -20.65862      11.77967 
1 1 1 37 11 18 o 21.847  5.1005 4.8739   1.8775  24.774  5.0718 18.921  8.8509 5.853018       10.20106 
1 1 1 37 11 20 o 21.327  5.7928 4.9506   2.2095  20.892  6.5810 21.762  9.5351 -0.8704853     11.58570 
1 1 1 37 11 22 o 18.512  5.6283 2.8733   2.1454  14.423  6.1159 22.601  9.4503 -8.177877      11.25665 
1 1 1 37 11 24 o 21.327  5.8650 6.0943   2.3694  20.481  7.1182 22.173  9.3233 -1.692724      11.72995 
1 1 1 37 12 1  o 28.850  8.0903 9.2086   5.1707  32.117  11.601 25.583  11.280 6.534729       16.18062 
1 1 1 37 12 3  o 43.213  6.8330 23.106   4.0884  36.320  10.042 50.107  9.2689 -13.78722      13.66606 
1 1 1 37 12 5  o 52.933  6.1269 32.994   4.4549  58.346  8.0982 47.519  9.1964 10.82643       12.25377 
1 1 1 37 12 7  o 63.852  5.0112 45.918   4.4613  71.517  6.5174 56.187  7.6138 15.33004       10.02235 
1 1 1 37 12 9  o 41.615  8.5989 26.214   5.4815  37.968  13.057 45.262  11.193 -7.293781      17.19777 
1 1 1 37 12 11 o 20.015  6.0923 2.6498   2.2986  16.143  6.3968 23.888  10.370 -7.744223      12.18466 
1 1 1 37 12 13 o 30.405  6.3889 10.598   2.4991  25.037  6.9161 35.774  10.744 -10.73679      12.77785 
1 1 1 37 12 15 o 20.981  6.1472 3.7340   2.7788  20.268  7.5434 21.693  9.7083 -1.425356      12.29443 
1 1 1 37 12 17 o 38.557  6.6408 19.388   3.2999  37.452  7.0775 39.661  11.239 -2.209488      13.28151 
1 1 1 37 12 19 o 42.729  5.2788 21.454   2.2290  44.012  3.4818 41.446  9.9670 2.565273       10.55767 
1 1 1 37 12 21 o 34.053  5.6532 15.559   2.2645  38.067  4.1933 30.040  10.500 8.026850       11.30645 
1 1 1 37 12 23 o 17.457  5.4751 1.7941   2.3396  13.212  6.0306 21.702  9.1398 -8.489813      10.95010 
1 1 1 37 13 0  o 57.365  7.3154 36.522   8.1729  57.365  7.3154 ?       ?      0.000000       0.000000 
1 1 1 37 13 2  o 83.838  4.2880 76.698   5.0663  84.364  5.7520 83.313  6.3611 1.050888       8.576068 
1 1 1 37 13 4  o 61.855  5.1791 43.419   4.5010  59.545  6.9699 64.164  7.6624 -4.618778      10.35817 
1 1 1 37 13 6  f 45.116  7.6221 27.861   4.8205  48.696  10.166 41.536  11.360 7.160004       15.24415 
1 1 1 37 13 8  o 59.760  5.7264 42.131   4.6007  59.577  9.4313 59.943  6.4976 -0.3668289     11.45286 
1 1 1 37 13 10 o 22.139  6.9465 2.1202   4.3381  22.214  9.7846 22.065  9.8629 0.1487312      13.89297 
1 1 1 37 13 12 o 32.177  5.7371 12.605   2.2645  34.435  4.6356 29.920  10.496 4.515001       11.47417 
1 1 1 37 13 14 o 40.211  5.5844 20.144   2.5681  44.539  4.3008 35.883  10.308 8.656250       11.16887 
1 1 1 37 13 16 o 33.407  6.1461 14.767   2.8651  35.492  6.9026 31.322  10.171 4.170589       12.29229 
1 1 1 37 13 18 o 54.653  4.5933 34.556   3.1985  55.501  4.6017 53.804  7.9510 1.696789       9.186629 
1 1 1 37 13 20 o 48.736  5.7002 28.842   2.2748  51.156  2.8707 46.315  11.033 4.841255       11.40045 
1 1 1 37 13 22 o 34.651  6.1090 16.335   2.5846  35.084  5.2778 34.217  11.019 0.8664207      12.21794 
1 1 1 37 14 1  o 50.777  6.1738 31.498   4.2008  51.373  7.2087 50.182  10.025 1.191059       12.34751 
1 1 1 37 14 3  o 61.497  5.4242 44.403   4.6928  58.155  8.1247 64.839  7.1887 -6.683681      10.84841 
1 1 1 37 14 5  o 47.363  6.4391 27.783   4.2055  53.456  8.7195 41.270  9.4773 12.18568       12.87823 
1 1 1 37 14 7  o 54.492  7.2951 37.515   4.7242  53.572  13.086 55.412  6.4527 -1.840168      14.59012 
1 1 1 37 14 9  o 22.737  6.8908 3.8829   3.9657  22.462  10.118 23.011  9.3568 -0.5491295     13.78161 
1 1 1 37 14 11 o 28.611  8.0036 10.429   5.2350  34.540  12.231 22.682  10.327 11.85794       16.00715 
1 1 1 37 14 13 o 66.992  3.5697 46.643   2.8044  63.989  3.1931 69.995  6.3855 -6.005280      7.139384 
1 1 1 37 14 15 o 39.501  5.5651 19.739   2.6859  43.941  4.7952 35.060  10.044 8.881752       11.13024 
1 1 1 37 14 17 o 17.108  5.4701 0.6144   2.5100  15.496  6.6516 18.720  8.6859 -3.224349      10.94019 
1 1 1 37 14 19 o 27.944  6.4677 11.577   2.9943  31.009  6.9657 24.879  10.900 6.129923       12.93542 
1 1 1 37 14 21 o 20.620  6.1272 5.1400   2.3944  18.136  6.6831 23.105  10.272 -4.968924      12.25434 
1 1 1 37 15 0  o 61.311  7.8925 41.503   9.7053  61.311  7.8925 ?       ?      0.000000       0.000000 
1 1 1 37 15 2  o 48.216  8.1933 32.822   5.4919  47.859  10.912 48.573  12.225 -0.7147865     16.38654 
1 1 1 37 15 4  o 31.370  8.1221 14.226   4.7034  31.395  11.148 31.345  11.815 0.4976845E-01  16.24419 
1 1 1 37 15 6  o 25.662  6.8365 7.0023   3.8239  21.611  9.9209 29.713  9.4089 -8.102264      13.67301 
1 1 1 37 15 8  o 25.456  7.4819 7.5002   4.3814  25.591  11.157 25.320  9.9723 0.2709408      14.96375 
1 1 1 37 15 10 o 22.178  6.9642 3.0844   4.3623  22.228  9.9676 22.128  9.7288 0.1001167      13.92848 
1 1 1 37 15 12 o 24.141  7.5337 5.8613   5.0434  23.519  10.465 24.763  10.841 -1.244345      15.06746 
1 1 1 37 15 14 o 15.460  5.1483 -1.9155  2.3837  12.032  5.6683 18.889  8.5960 -6.856719      10.29660 
1 1 1 37 15 16 o 17.984  5.7066 1.4922   2.7025  15.276  6.8016 20.692  9.1651 -5.415869      11.41321 
1 1 1 37 15 18 o 26.482  6.6709 10.465   2.9767  25.174  8.1948 27.790  10.529 -2.615721      13.34187 
1 1 1 37 15 20 o 24.385  6.7582 9.4117   3.7104  27.134  9.0374 21.635  10.051 5.498291       13.51644 
1 1 1 37 16 1  o 72.717  5.4834 61.614   5.5380  63.766  7.6101 81.668  7.8965 -17.90187      10.96670 
1 1 1 37 16 3  o 52.173  7.0913 36.203   5.0442  51.865  10.085 52.482  9.9716 -0.6164436     14.18269 
1 1 1 37 16 5  o 54.419  6.4082 37.726   4.7515  50.320  10.126 58.519  7.8560 -8.198982      12.81640 
1 1 1 37 16 7  o 31.419  7.2961 13.951   3.8781  36.841  10.659 25.996  9.9660 10.84572       14.59223 
1 1 1 37 16 9  o 24.063  7.0935 6.3071   4.1625  21.778  9.7947 26.348  10.263 -4.569912      14.18690 
1 1 1 37 16 11 o 20.058  6.6355 -1.5547  4.6949  20.096  9.2085 20.021  9.5563 0.7521439E-01  13.27096 
1 1 1 37 16 13 f 23.051  7.1124 5.5183   4.4016  23.443  9.7910 22.659  10.319 0.7838936      14.22481 
1 1 1 37 16 15 o 23.383  5.9637 7.1691   2.5485  25.026  7.0810 21.740  9.5980 3.286402       11.92739 
1 1 1 37 16 17 o 33.921  5.9177 16.934   3.0184  41.463  6.0058 26.378  10.198 15.08485       11.83544 
1 1 1 37 16 19 o 19.665  6.1290 4.0901   3.1987  17.611  7.8093 21.719  9.4486 -4.108559      12.25810 
1 1 1 37 17 0  o 34.452  15.838 23.369   11.876  34.452  15.838 ?       ?      0.000000       0.000000 
1 1 1 37 17 2  o 34.096  8.4877 18.282   5.5561  25.332  10.998 42.861  12.930 -17.52968      16.97531 
1 1 1 37 17 4  o 37.436  8.6789 23.241   5.2873  38.093  12.566 36.779  11.974 1.314529       17.35772 
1 1 1 37 17 6  o 20.323  6.4151 1.8289   3.7574  20.898  9.3133 19.749  8.8248 1.148926       12.83021 
1 1 1 37 17 8  o 24.738  7.2516 7.2649   4.3334  27.476  10.617 22.000  9.8809 5.475580       14.50322 
1 1 1 37 17 10 o 21.689  6.8308 3.1525   4.2770  20.075  9.2028 23.304  10.097 -3.229212      13.66169 
1 1 1 37 17 12 o 26.840  8.1236 12.841   5.5484  28.126  11.655 25.554  11.319 2.572018       16.24715 
1 1 1 37 17 14 o 16.423  5.2707 0.7364   2.0560  14.519  5.8945 18.326  8.7394 -3.806998      10.54143 
1 1 1 37 17 16 o 21.737  6.0456 6.3994   2.6516  21.562  7.7043 21.911  9.3188 -0.3490238     12.09117 
1 1 1 37 17 18 o 26.050  6.6953 11.127   3.0796  25.972  8.2921 26.128  10.514 -0.1568737     13.39059 
1 1 1 37 18 1  o 19.866  6.6498 -2.9699  4.9771  20.128  9.4453 19.604  9.3632 0.5239162      13.29970 
1 1 1 37 18 3  o 33.224  8.4433 18.695   5.1233  31.397  12.824 35.050  10.987 -3.652840      16.88664 
1 1 1 37 18 5  f 40.155  7.6374 23.734   4.5972  50.389  10.950 29.920  10.650 20.46920       15.27486 
1 1 1 37 18 7  o 29.316  7.9803 13.896   4.7752  33.322  11.919 25.310  10.615 8.011889       15.96067 
1 1 1 37 18 9  o 22.043  7.1240 4.0750   4.9795  22.517  10.237 21.570  9.9099 0.9474907      14.24804 
1 1 1 37 18 11 o 19.773  6.7287 -2.1812  5.4816  20.137  9.7744 19.409  9.2499 0.7284966      13.45734 
1 1 1 37 18 13 o 22.792  7.0560 6.3630   4.4190  26.582  10.973 19.002  8.8741 7.579784       14.11209 
1 1 1 37 18 15 o 17.792  5.5294 1.9155   2.5076  17.482  6.8243 18.101  8.7021 -0.6194038     11.05881 
1 1 1 37 19 0  o 118.250 4.5503 146.473  10.727  118.250 4.5503 ?       ?      0.000000       0.000000 
1 1 1 37 19 2  o 77.579  4.5217 70.710   4.9482  74.735  6.6640 80.423  6.1133 -5.687630      9.043316 
1 1 1 37 19 4  o 26.813  7.4034 11.443   4.2437  24.133  10.459 29.493  10.481 -5.359999      14.80686 
1 1 1 37 19 6  o 17.823  6.0838 -6.8320  4.7249  15.126  7.5542 20.520  9.5387 -5.394019      12.16768 
1 1 1 37 19 8  o 21.715  6.8016 4.3714   4.2742  18.534  8.7041 24.895  10.454 -6.361738      13.60321 
1 1 1 37 19 10 o 21.740  6.8947 5.1521   4.4355  20.673  9.5055 22.808  9.9896 -2.134834      13.78933 
1 1 1 37 19 12 o 22.462  7.2126 6.9796   5.0072  24.152  10.713 20.773  9.6601 3.379515       14.42521 
1 1 1 37 19 14 o 33.779  8.3913 24.057   4.9730  32.604  11.618 34.955  12.111 -2.350430      16.78256 
1 1 1 37 20 1  o 96.063  4.3149 108.583  5.8128  95.522  6.5507 96.605  5.6180 -1.082344      8.629808 
1 1 1 37 20 3  o 71.437  4.9781 63.208   5.0104  73.949  6.6485 68.925  7.4110 5.024185       9.956191 
1 1 1 37 20 5  o 21.459  6.9214 4.2741   4.6911  21.296  9.7065 21.622  9.8694 -0.3252430     13.84271 
1 1 1 37 20 7  f 31.762  8.2066 19.985   4.9803  27.584  11.306 35.939  11.898 -8.354515      16.41322 
1 1 1 37 20 9  o 25.976  7.6074 12.871   4.5597  26.373  10.935 25.579  10.579 0.7940197      15.21487 
1 1 1 37 20 11 o 20.780  6.8816 3.6051   4.9140  23.768  10.789 17.792  8.5450 5.976336       13.76328 
1 1 1 37 21 0  f 16.420  10.980 3.4479   9.5776  16.420  10.980 ?       ?      0.000000       0.000000 
1 1 1 37 21 2  o 27.975  7.4330 13.134   4.8188  19.734  9.3315 36.216  11.572 -16.48137      14.86590 
1 1 1 37 21 4  o 25.664  7.3985 12.020   4.3623  23.376  10.258 27.952  10.664 -4.576372      14.79701 
1 1 1 37 21 6  o 22.218  6.7958 7.4129   3.9265  21.701  9.5215 22.735  9.6992 -1.034121      13.59169 
1 1 1 37 21 8  o 17.995  6.1381 -1.9772  4.5796  18.981  9.1368 17.009  8.1991 1.972725       12.27622 
1 1 1 38 1  1  o 21.906  5.1077 4.8709   2.0067  17.675  7.3137 26.137  7.1320 -8.462246      10.21549 
1 1 1 38 1  3  o 49.359  3.1588 25.346   2.1987  49.381  4.2669 49.337  4.6590 0.4389191E-01  6.317664 
1 1 1 38 1  5  o 33.179  4.7833 12.197   2.1240  35.247  7.3100 31.110  6.1713 4.137300       9.566701 
1 1 1 38 1  7  o 43.750  3.7303 20.233   2.2702  44.189  5.7798 43.312  4.7174 0.8766060      7.460580 
1 1 1 38 1  9  o 43.015  4.0010 19.603   2.2714  43.942  6.6841 42.089  4.3994 1.852722       8.002007 
1 1 1 38 1  11 o 57.694  2.9015 34.143   2.3003  60.153  4.5643 55.235  3.5836 4.918812       5.802978 
1 1 1 38 1  13 o 37.913  4.6763 16.039   2.2986  37.549  7.9012 38.278  5.0042 -0.7294731     9.352571 
1 1 1 38 1  15 o 30.406  5.3027 11.131   2.2520  27.446  9.0374 33.366  5.5496 -5.919827      10.60534 
1 1 1 38 1  17 o 37.859  5.7953 17.412   2.7347  35.664  10.328 40.054  5.2606 -4.389851      11.59067 
1 1 1 38 1  19 o 34.708  5.4342 15.862   2.4248  27.452  9.9324 41.965  4.4124 -14.51334      10.86840 
1 1 1 38 1  21 o 45.017  3.6585 22.173   2.3196  47.548  5.2372 42.486  5.1098 5.062107       7.316957 
1 1 1 38 1  23 o 17.969  5.4271 1.9354   2.3650  13.744  6.3034 22.193  8.8364 -8.449134      10.85429 
1 1 1 38 1  25 o 16.490  5.1846 0.5351   2.5217  18.818  7.9335 14.161  6.6768 4.656965       10.36918 
1 1 1 38 2  0  o 87.154  2.9378 76.876   5.1080  87.154  2.9378 ?       ?      0.000000       0.000000 
1 1 1 38 2  2  o 72.070  2.1693 52.974   2.1913  71.572  3.3008 72.568  2.8156 -0.9951401     4.338542 
1 1 1 38 2  4  o 68.252  2.3809 47.572   2.2915  69.800  3.4761 66.703  3.2546 3.097504       4.761883 
1 1 1 38 2  6  o 53.277  2.6540 29.120   1.9279  53.744  4.2770 52.811  3.1435 0.9326439      5.307948 
1 1 1 38 2  8  o 35.575  4.1386 13.553   1.9256  36.792  6.8502 34.358  4.6460 2.434273       8.277114 
1 1 1 38 2  10 o 81.820  2.2627 68.902   2.5540  79.811  3.6001 83.828  2.7421 -4.016541      4.525433 
1 1 1 38 2  12 o 58.617  2.7397 35.554   2.1691  58.329  4.4881 58.904  3.1435 -0.5756073     5.479489 
1 1 1 38 2  14 o 46.421  3.6468 22.654   2.2986  49.559  5.7976 43.283  4.4255 6.276272       7.293696 
1 1 1 38 2  16 o 33.481  5.2220 13.123   2.2902  32.256  8.9785 34.706  5.3353 -2.450054      10.44410 
1 1 1 38 2  18 o 45.025  4.0411 22.598   2.5023  47.768  4.8121 42.282  6.4935 5.485889       8.082199 
1 1 1 38 2  20 o 42.258  4.4277 20.733   2.4492  45.432  4.7784 39.084  7.4556 6.348049       8.855423 
1 1 1 38 2  22 o 18.421  5.3914 2.8881   2.3196  19.293  7.6235 17.548  7.6256 1.744810       10.78279 
1 1 1 38 2  24 o 17.498  5.1718 2.4207   2.1540  20.078  7.9467 14.919  6.6213 5.159009       10.34367 
1 1 1 38 2  26 o 14.457  4.7502 -1.2598  2.3607  14.698  6.7627 14.216  6.6726 0.4820127      9.500395 
1 1 1 38 3  1  o 62.003  2.2083 39.485   1.9070  59.296  3.4458 64.709  2.7628 -5.412868      4.416636 
1 1 1 38 3  3  o 93.291  1.9602 88.397   2.5855  91.769  2.7831 94.813  2.7611 -3.043427      3.920363 
1 1 1 38 3  5  o 70.964  2.2093 51.445   2.1802  70.502  3.4415 71.426  2.7712 -0.9239349     4.418560 
1 1 1 38 3  7  f 25.220  5.0249 7.3222   1.8701  24.267  7.5902 26.173  6.5870 -1.906610      10.04980 
1 1 1 38 3  9  o 46.383  2.8478 22.569   1.7744  44.603  4.7241 48.164  3.1817 -3.561203      5.695611 
1 1 1 38 3  11 o 64.074  2.4722 42.317   2.1469  63.248  4.0381 64.899  2.8531 -1.651218      4.944338 
1 1 1 38 3  13 o 86.554  2.1268 76.569   2.4519  86.663  3.5365 86.445  2.3636 0.2185669      4.253622 
1 1 1 38 3  15 o 42.751  3.3760 19.309   2.0253  39.355  4.7050 46.147  4.8427 -6.792149      6.751987 
1 1 1 38 3  17 o 61.104  2.6001 38.923   2.2183  61.685  3.3123 60.523  4.0089 1.161575       5.200270 
1 1 1 38 3  19 f 28.585  5.2451 10.137   2.1409  30.575  6.4643 26.595  8.2617 3.979244       10.49018 
1 1 1 38 3  21 o 48.015  5.0257 26.804   2.7383  48.964  4.1729 47.067  9.1442 1.896946       10.05132 
1 1 1 38 3  23 o 30.443  5.4976 12.300   2.3906  27.475  7.9271 33.411  7.6193 -5.935934      10.99512 
1 1 1 38 3  25 o 16.750  5.0139 1.7840   2.1347  13.822  6.3664 19.677  7.7477 -5.855124      10.02779 
1 1 1 38 4  0  o 48.495  3.7302 24.263   3.5756  48.495  3.7302 ?       ?      0.000000       0.000000 
1 1 1 38 4  2  o 88.440  1.9143 79.333   2.3906  89.758  2.7743 87.122  2.6384 2.635414       3.828565 
1 1 1 38 4  4  o 86.375  1.8946 76.122   2.2968  82.088  2.8780 90.661  2.4650 -8.573647      3.789294 
1 1 1 38 4  6  o 28.606  3.9131 8.7901   1.4898  31.121  5.9572 26.090  5.0757 5.030230       7.826285 
1 1 1 38 4  8  o 56.704  2.5305 33.437   1.9279  54.808  4.1939 58.600  2.8330 -3.791512      5.061075 
1 1 1 38 4  10 o 67.458  2.4287 46.902   2.1907  66.474  4.0342 68.442  2.7055 -1.967545      4.857414 
1 1 1 38 4  12 o 37.412  4.4755 15.590   2.2827  36.640  7.0478 38.184  5.5182 -1.544090      8.951042 
1 1 1 38 4  14 o 21.968  4.9352 5.5203   1.8057  24.759  6.5878 19.177  7.3503 5.581907       9.870486 
1 1 1 38 4  16 o 40.899  3.2532 17.668   1.8701  39.008  4.4195 42.791  4.7749 -3.782692      6.506303 
1 1 1 38 4  18 o 46.280  3.4709 23.148   2.2662  44.056  5.0726 48.505  4.7390 -4.448799      6.941803 
1 1 1 38 4  20 o 44.968  3.1626 21.701   2.0108  44.452  4.4528 45.483  4.4922 -1.031082      6.325173 
1 1 1 38 4  22 o 26.610  5.6646 9.4656   2.2776  26.821  7.2194 26.400  8.7310 0.4205284      11.32917 
1 1 1 38 4  24 o 26.543  5.1126 9.2877   2.0108  23.453  7.6210 29.634  6.8171 -6.180382      10.22513 
1 1 1 38 4  26 o 15.444  4.8922 0.5719   2.1802  13.432  6.2167 17.457  7.5556 -4.024933      9.784405 
1 1 1 38 5  1  o 29.941  3.2395 9.3281   1.3661  31.233  4.7019 28.649  4.4575 2.584620       6.478973 
1 1 1 38 5  3  o 50.351  2.3812 25.909   1.6770  51.059  3.6265 49.644  3.0868 1.414700       4.762364 
1 1 1 38 5  5  o 42.874  2.5884 18.790   1.5324  44.103  4.0537 41.644  3.2198 2.459335       5.176837 
1 1 1 38 5  7  o 56.331  2.2328 32.206   1.6857  57.376  3.6724 55.286  2.5408 2.090164       4.465641 
1 1 1 38 5  9  o 98.794  1.8043 99.852   2.4754  94.546  2.8364 103.042 2.2308 -8.495583      3.608530 
1 1 1 38 5  11 o 58.769  2.2863 35.572   1.8701  60.253  2.8612 57.285  3.5667 2.967262       4.572536 
1 1 1 38 5  13 o 35.944  3.7601 13.749   1.8815  31.901  5.2039 39.987  5.4290 -8.086300      7.520293 
1 1 1 38 5  15 o 29.574  4.2971 9.7190   1.7673  23.920  6.5033 35.229  5.6186 -11.30888      8.594276 
1 1 1 38 5  17 o 50.634  2.9887 27.328   2.0897  52.971  3.6161 48.296  4.7595 4.675716       5.977356 
1 1 1 38 5  19 o 66.320  2.6573 46.244   2.4885  66.888  3.6274 65.752  3.8843 1.135887       5.314682 
1 1 1 38 5  21 o 34.917  4.1252 13.603   1.9500  30.305  5.6876 39.529  5.9766 -9.223175      8.250382 
1 1 1 38 5  23 o 23.771  5.1461 7.3711   1.9469  26.564  7.0803 20.977  7.4699 5.587013       10.29224 
1 1 1 38 5  25 o 18.246  5.4492 3.1553   2.4894  19.575  7.7349 16.917  7.6776 2.657736       10.89834 
1 1 1 38 6  0  o 74.351  2.6697 55.933   3.9587  74.351  2.6697 ?       ?      0.000000       0.000000 
1 1 1 38 6  2  o 69.603  1.7836 49.053   1.7507  68.190  2.4345 71.016  2.6074 -2.826340      3.567259 
1 1 1 38 6  4  o 31.619  2.7231 10.317   1.1997  31.909  4.2021 31.329  3.4647 0.5803719      5.446278 
1 1 1 38 6  6  o 44.705  2.8272 20.717   1.7855  43.694  3.9455 45.716  4.0504 -2.021763      5.654468 
1 1 1 38 6  8  o 44.368  2.3386 19.966   1.4436  42.140  3.0304 46.596  3.5627 -4.456703      4.677242 
1 1 1 38 6  10 f 15.874  4.4710 1.7688   1.4455  13.914  5.6238 17.834  6.9520 -3.919724      8.941902 
1 1 1 38 6  12 o 18.207  4.6154 3.1249   1.6226  21.115  6.5670 15.298  6.4871 5.817017       9.230822 
1 1 1 38 6  14 o 46.716  2.9346 22.654   1.8389  45.729  3.3510 47.703  4.8186 -1.974167      5.869238 
1 1 1 38 6  16 o 27.148  4.6610 8.6061   1.7787  23.950  6.6817 30.347  6.5003 -6.396622      9.321942 
1 1 1 38 6  18 o 64.775  2.6681 44.084   2.3994  65.309  3.3241 64.241  4.1745 1.068123       5.336272 
1 1 1 38 6  20 o 43.032  3.2407 19.957   1.9050  43.302  3.8338 42.762  5.2260 0.5393486      6.481471 
1 1 1 38 6  22 o 25.181  5.0679 8.2545   1.9427  28.076  6.6824 22.285  7.6210 5.790880       10.13584 
1 1 1 38 6  24 o 14.632  4.7355 -0.5330  2.1987  15.250  6.9272 14.015  6.4588 1.235096       9.471078 
1 1 1 38 7  1  o 51.360  1.5824 26.689   1.1493  51.609  2.2270 51.112  2.2486 0.4972725      3.164749 
1 1 1 38 7  3  o 22.736  3.2852 5.5550   1.0056  21.808  4.2507 23.665  5.0101 -1.857265      6.570306 
1 1 1 38 7  5  o 24.145  3.4581 6.4872   1.0435  26.438  3.1396 21.851  6.1626 4.586876       6.916253 
1 1 1 38 7  7  o 49.058  1.9476 24.202   1.2922  47.527  2.2839 50.590  3.1553 -3.063122      3.895150 
1 1 1 38 7  9  o 97.616  1.7718 95.814   2.3440  94.980  2.0840 100.252 2.8660 -5.272888      3.543611 
1 1 1 38 7  11 f 35.965  3.0010 13.766   1.3167  37.245  2.7429 34.685  5.3385 2.559887       6.001921 
1 1 1 38 7  13 o 34.733  3.7404 13.153   1.5565  35.684  3.3997 33.781  6.6637 1.903316       7.480846 
1 1 1 38 7  15 o 38.873  3.1903 15.939   1.7414  36.058  4.4270 41.688  4.5949 -5.630268      6.380508 
1 1 1 38 7  17 o 26.093  4.5923 7.9656   1.6625  24.568  6.0172 27.617  6.9390 -3.048889      9.184557 
1 1 1 38 7  19 o 27.364  4.7278 8.9951   1.7923  27.736  5.9283 26.992  7.3663 0.7450047      9.455526 
1 1 1 38 7  21 o 15.884  4.8555 0.8838   1.9500  12.543  5.7610 19.224  7.8176 -6.680883      9.710972 
1 1 1 38 7  23 o 16.135  5.0603 1.0039   2.2968  15.471  6.9433 16.799  7.3631 -1.327262      10.12057 
1 1 1 38 8  0  o 21.691  12.802 8.0452   9.3222  21.691  12.802 ?       ?      0.000000       0.000000 
1 1 1 38 8  2  f 45.285  5.7202 23.831   1.8537  48.551  2.3672 42.019  11.193 6.531963       11.44033 
1 1 1 38 8  4  o 71.958  2.0076 52.718   1.9500  71.820  3.2894 72.095  2.3027 -0.2750397     4.015277 
1 1 1 38 8  6  o 20.705  4.7288 4.2473   1.4328  25.421  7.6598 15.989  5.5475 9.431898       9.457632 
1 1 1 38 8  8  o 27.275  4.8495 8.3806   1.7272  27.938  8.1714 26.611  5.2250 1.327423       9.699083 
1 1 1 38 8  10 o 35.728  2.9543 12.898   1.4183  31.959  3.5962 39.497  4.6881 -7.538473      5.908554 
1 1 1 38 8  12 o 37.861  2.7952 14.688   1.3686  36.682  2.9591 39.039  4.7431 -2.357075      5.590436 
1 1 1 38 8  14 o 52.114  2.6127 28.495   1.6579  53.372  2.3927 50.856  4.6454 2.515800       5.225378 
1 1 1 38 8  16 o 27.700  4.5312 9.0668   1.7513  30.685  4.9940 24.714  7.5622 5.970718       9.062370 
1 1 1 38 8  18 o 22.795  5.0065 6.3007   1.7673  22.609  6.6328 22.981  7.5010 -0.3721275     10.01294 
1 1 1 38 8  20 o 20.010  5.0534 4.6653   1.9070  22.674  7.1015 17.347  7.1915 5.327330       10.10686 
1 1 1 38 8  22 o 21.422  5.4405 5.9323   2.0897  19.454  7.2912 23.390  8.0768 -3.935883      10.88102 
1 1 1 38 8  24 o 16.795  5.2064 1.9483   2.3556  16.094  7.1025 17.495  7.6145 -1.401804      10.41281 
1 1 1 38 9  1  o 62.315  5.0712 43.295   4.4467  63.888  7.4956 60.742  6.8326 3.145931       10.14243 
1 1 1 38 9  3  o 77.441  4.4608 65.511   4.8827  79.402  6.2723 75.479  6.3445 3.923279       8.921552 
1 1 1 38 9  5  o 50.519  6.2162 30.188   1.5494  54.718  1.6337 46.320  12.325 8.398201       12.43248 
1 1 1 38 9  7  o 18.084  5.7731 0.0847   2.5360  13.641  6.2021 22.526  9.7390 -8.885026      11.54615 
1 1 1 38 9  9  o 15.534  4.8889 -0.0116  1.9503  17.829  7.8296 13.238  5.8568 4.591087       9.777778 
1 1 1 38 9  11 o 27.327  4.9408 8.9867   2.0318  22.129  8.4614 32.525  5.1042 -10.39592      9.881669 
1 1 1 38 9  13 o 25.140  4.5553 7.3315   1.6125  23.977  6.1067 26.302  6.7611 -2.324791      9.110654 
1 1 1 38 9  15 o 32.412  3.8289 12.006   1.5043  35.391  3.4279 29.432  6.8479 5.958958       7.657900 
1 1 1 38 9  17 o 21.608  4.9002 5.5432   1.6648  21.587  6.1867 21.628  7.6007 -0.4156876E-01 9.800322 
1 1 1 38 9  19 o 30.666  4.4667 11.333   1.8571  33.656  4.9326 27.677  7.4481 5.979452       8.933367 
1 1 1 38 9  21 o 17.377  5.1575 2.5655   2.1271  16.372  6.9472 18.382  7.6246 -2.009789      10.31494 
1 1 1 38 9  23 o 17.609  5.2869 2.5234   2.3906  19.604  7.8134 15.615  7.1242 3.988496       10.57376 
1 1 1 38 10 0  o 27.929  13.896 14.302   9.3222  27.929  13.896 ?       ?      0.000000       0.000000 
1 1 1 38 10 2  o 22.548  7.1117 1.8585   4.2839  25.797  11.267 19.300  8.6810 6.497095       14.22334 
1 1 1 38 10 4  o 24.298  7.4344 4.6963   4.6667  23.650  10.170 24.945  10.847 -1.295488      14.86870 
1 1 1 38 10 6  f 24.777  7.4144 5.5996   4.6051  26.427  10.510 23.127  10.461 3.300611       14.82877 
1 1 1 38 10 8  o 22.684  5.2335 5.3124   1.6346  24.022  4.4182 21.345  9.4889 2.676397       10.46710 
1 1 1 38 10 10 o 25.325  5.8541 7.2516   2.0736  25.152  5.7135 25.498  10.220 -0.3452263     11.70825 
1 1 1 38 10 12 o 35.231  6.7136 15.672   2.8402  36.960  5.1826 33.501  12.387 3.459095       13.42714 
1 1 1 38 10 14 o 42.379  5.8911 22.472   3.4373  44.576  7.3053 40.182  9.2440 4.393349       11.78217 
1 1 1 38 10 16 o 34.833  3.1640 12.708   1.5116  31.824  4.0127 37.842  4.8932 -6.017595      6.328081 
1 1 1 38 10 18 o 35.200  3.8297 13.657   1.6937  34.096  3.9326 36.305  6.5728 -2.209312      7.659495 
1 1 1 38 10 20 o 22.275  5.4822 6.5394   2.1156  22.763  7.3778 21.787  8.1108 0.9761848      10.96435 
1 1 1 38 10 22 o 17.621  5.1652 3.1093   2.0761  15.986  6.7480 19.256  7.8219 -3.270146      10.33048 
1 1 1 38 11 1  o 35.896  7.9090 18.747   4.5708  32.376  12.551 39.416  9.6271 -7.039452      15.81798 
1 1 1 38 11 3  o 24.426  7.5352 4.9714   4.6005  25.773  11.669 23.079  9.5373 2.693537       15.07047 
1 1 1 38 11 5  o 31.633  8.2112 14.510   4.9132  34.356  11.667 28.910  11.557 5.445492       16.42243 
1 1 1 38 11 7  o 18.015  6.0021 -4.7321  3.9884  17.200  8.2532 18.829  8.7170 -1.629074      12.00425 
1 1 1 38 11 9  o 15.126  5.0351 -0.4942  1.6187  10.994  4.8302 19.257  8.8362 -8.263526      10.07023 
1 1 1 38 11 11 o 20.184  5.8549 3.5336   2.1995  17.533  6.5313 22.834  9.7190 -5.301046      11.70973 
1 1 1 38 11 13 o 33.810  6.2870 14.146   2.6462  32.416  6.1323 35.203  10.977 -2.786755      12.57395 
1 1 1 38 11 15 o 33.981  6.7144 15.273   2.9499  34.126  6.4104 33.835  11.800 0.2903290      13.42873 
1 1 1 38 11 17 o 36.145  5.6749 17.151   1.8119  40.994  2.8036 31.295  10.998 9.698458       11.34984 
1 1 1 38 11 19 o 38.245  5.8020 17.978   2.1302  39.079  3.5945 37.410  11.033 1.668766       11.60406 
1 1 1 38 11 21 o 37.717  5.1275 17.455   2.1949  37.665  4.2381 37.770  9.3384 -0.1054420     10.25509 
1 1 1 38 12 0  o 17.117  11.058 2.9371   8.5560  17.117  11.058 ?       ?      0.000000       0.000000 
1 1 1 38 12 2  o 53.465  6.3088 34.993   4.6296  59.388  8.4936 47.543  9.3308 11.84571       12.61761 
1 1 1 38 12 4  o 41.501  8.5027 25.558   5.2365  39.922  13.405 43.080  10.464 -3.157318      17.00533 
1 1 1 38 12 6  o 23.307  7.1817 3.4905   4.5538  22.057  10.093 24.557  10.219 -2.499651      14.36346 
1 1 1 38 12 8  o 19.447  6.4597 -6.7566  4.5538  24.556  10.761 14.337  7.1487 10.21937       12.91931 
1 1 1 38 12 10 o 19.574  5.4144 3.2736   1.3685  16.327  4.7808 22.821  9.7163 -6.493538      10.82880 
1 1 1 38 12 12 o 17.675  5.4784 1.4452   2.2675  15.473  6.4525 19.878  8.8553 -4.405868      10.95677 
1 1 1 38 12 14 o 27.292  6.4208 9.1566   2.5681  21.796  7.3790 32.787  10.510 -10.99081      12.84158 
1 1 1 38 12 16 f 47.790  4.6556 25.461   2.7951  43.298  4.8664 52.282  7.9383 -8.983913      9.311210 
1 1 1 38 12 18 o 49.657  4.2586 27.465   2.2095  49.408  3.1015 49.906  7.9324 -0.4973907     8.517198 
1 1 1 38 12 20 o 49.788  5.0129 32.552   2.3900  58.095  2.9675 41.480  9.5765 16.61496       10.02572 
1 1 1 38 13 1  o 54.178  6.7260 37.303   4.7971  51.897  11.266 56.458  7.3511 -4.560993      13.45209 
1 1 1 38 13 3  o 95.680  4.2222 101.229  5.6930  98.077  6.1847 93.282  5.7497 4.795296       8.444493 
1 1 1 38 13 5  o 82.804  4.6713 78.019   5.4545  84.330  6.2843 81.278  6.9131 3.051804       9.342587 
1 1 1 38 13 7  o 60.403  5.8381 44.537   4.9599  60.758  8.7224 60.049  7.7622 0.7096901      11.67612 
1 1 1 38 13 9  o 22.318  6.9920 3.0594   4.4435  21.590  10.014 23.046  9.7605 -1.455908      13.98402 
1 1 1 38 13 11 o 31.194  8.1202 15.720   4.7925  29.559  11.998 32.828  10.945 -3.269903      16.24050 
1 1 1 38 13 13 o 23.269  5.9873 6.4473   2.2843  20.325  6.9970 26.213  9.7176 -5.888275      11.97452 
1 1 1 38 13 15 o 26.613  5.9970 9.8904   2.6172  29.331  7.0441 23.894  9.7076 5.437426       11.99400 
1 1 1 38 13 17 o 39.513  6.5542 21.569   3.2999  38.090  6.9642 40.936  11.105 -2.845856      13.10841 
1 1 1 38 13 19 o 36.934  6.2403 22.585   3.3774  47.637  5.0933 26.231  11.394 21.40634       12.48056 
1 1 1 38 14 0  o 47.720  14.853 34.735   12.387  47.720  14.853 ?       ?      0.000000       0.000000 
1 1 1 38 14 2  o 28.233  8.1448 10.812   5.3298  32.192  12.220 24.274  10.772 7.917786       16.28954 
1 1 1 38 14 4  o 29.178  8.1757 12.751   5.0743  27.368  11.400 30.988  11.722 -3.619879      16.35135 
1 1 1 38 14 6  o 27.551  7.5296 10.690   4.2437  26.010  10.827 29.092  10.467 -3.082211      15.05914 
1 1 1 38 14 8  o 24.311  7.2149 6.3455   4.4098  26.941  10.509 21.682  9.8888 5.258715       14.42988 
1 1 1 38 14 10 o 27.380  7.9871 10.637   4.8852  22.890  9.9330 31.870  12.510 -8.980310      15.97416 
1 1 1 38 14 12 o 24.674  7.6194 7.7112   4.8625  27.214  11.701 22.134  9.7627 5.080080       15.23886 
1 1 1 38 14 14 o 32.289  6.0312 14.090   2.5540  32.894  6.0497 31.684  10.436 1.210375       12.06232 
1 1 1 38 14 16 o 20.853  6.0028 5.0812   2.8229  21.714  7.9167 19.992  9.0255 1.721863       12.00560 
1 1 1 38 14 18 o 30.633  6.0760 14.781   3.1764  38.312  7.2630 22.953  9.7427 15.35970       12.15199 
1 1 1 38 15 1  o 30.651  8.5091 15.438   5.2773  32.053  12.809 29.249  11.204 2.804157       17.01823 
1 1 1 38 15 3  o 38.087  8.5911 23.433   5.2304  44.585  12.882 31.590  11.371 12.99519       17.18223 
1 1 1 38 15 5  o 22.766  7.2269 3.5483   4.8866  22.065  10.197 23.468  10.244 -1.403730      14.45380 
1 1 1 38 15 7  o 26.155  7.6804 9.4534   4.5902  27.682  11.496 24.628  10.188 3.053598       15.36081 
1 1 1 38 15 9  o 28.205  7.4005 10.214   4.8376  35.785  11.136 20.626  9.7498 15.15919       14.80106 
1 1 1 38 15 11 o 23.637  7.5024 6.9194   5.1801  22.217  10.085 25.058  11.110 -2.840784      15.00479 
1 1 1 38 15 13 f 13.976  4.6368 -0.8419  1.5608  11.885  4.9252 16.067  7.8577 -4.181767      9.273657 
1 1 1 38 15 15 o 17.460  5.4495 1.9647   2.5109  16.387  7.0091 18.533  8.3464 -2.145351      10.89907 
1 1 1 38 15 17 o 15.779  5.2322 -0.9763  2.7875  14.821  6.7583 16.738  7.9893 -1.917711      10.46438 
1 1 1 38 16 0  o 20.122  12.214 7.6621   8.9391  20.122  12.214 ?       ?      0.000000       0.000000 
1 1 1 38 16 2  o 23.686  7.4543 5.2963   4.8813  25.991  11.406 21.380  9.6006 4.610876       14.90859 
1 1 1 38 16 4  o 21.502  7.0141 1.4887   4.7752  22.874  10.634 20.129  9.1491 2.744974       14.02812 
1 1 1 38 16 6  o 28.535  8.2414 12.832   5.1265  33.886  13.048 23.183  10.072 10.70337       16.48280 
1 1 1 38 16 8  o 24.289  7.8883 7.2329   6.1830  26.130  11.758 22.449  10.519 3.680275       15.77653 
1 1 1 38 16 10 o 20.927  7.0315 -0.6769  5.8338  18.745  9.2332 23.109  10.607 -4.363625      14.06299 
1 1 1 38 16 12 o 23.101  7.6241 5.8842   6.1130  25.462  11.576 20.740  9.9251 4.721516       15.24822 
1 1 1 38 16 14 o 15.232  4.9908 0.2845   1.9074  12.685  5.4858 17.778  8.3390 -5.093119      9.981665 
1 1 1 38 16 16 o 19.551  5.7654 3.6462   2.5781  14.078  6.4763 25.023  9.5404 -10.94466      11.53087 
1 1 1 38 17 1  o 25.428  7.4297 9.5294   4.4048  23.016  10.036 27.840  10.958 -4.824196      14.85938 
1 1 1 38 17 3  o 26.214  7.6188 11.018   4.4893  28.157  11.389 24.272  10.123 3.884836       15.23750 
1 1 1 38 17 5  o 21.981  6.9523 5.0768   4.4190  23.003  10.217 20.958  9.4314 2.045645       13.90464 
1 1 1 38 17 7  o 21.675  6.9050 4.3990   4.5472  23.005  9.9959 20.345  9.5288 2.659992       13.81000 
1 1 1 38 17 9  o 21.245  7.0623 2.3179   5.4310  21.333  9.8445 21.157  10.129 0.1751728      14.12455 
1 1 1 38 17 11 o 21.643  6.9237 5.2585   4.6182  22.552  9.8598 20.735  9.7230 1.816938       13.84747 
1 1 1 38 17 13 o 24.562  7.1330 9.1972   4.4994  18.783  8.9486 30.341  11.110 -11.55791      14.26600 
1 1 1 38 18 0  o 75.431  5.9120 62.573   8.8114  75.431  5.9120 ?       ?      0.000000       0.000000 
1 1 1 38 18 2  o 32.668  6.8952 16.551   4.5253  44.796  9.9539 20.541  9.5444 24.25514       13.79043 
1 1 1 38 18 4  o 28.841  7.3679 13.709   4.6386  35.732  10.647 21.949  10.187 13.78222       14.73590 
1 1 1 38 18 6  o 27.882  7.6418 13.806   4.4319  24.037  10.207 31.727  11.376 -7.690363      15.28356 
1 1 1 38 18 8  o 25.136  7.6552 11.538   5.0827  26.671  10.885 23.601  10.766 3.070120       15.31039 
1 1 1 38 18 10 o 17.183  5.8111 -2.7994  4.0522  16.133  7.8709 18.232  8.5513 -2.098608      11.62217 
1 1 1 38 18 12 o 20.686  6.8526 3.2844   4.9665  24.085  10.843 17.287  8.3820 6.798256       13.70518 
1 1 1 38 19 1  o 31.061  7.8356 18.345   4.6602  25.543  10.781 36.580  11.374 -11.03788      15.67127 
1 1 1 38 19 3  o 23.496  7.3420 8.7412   4.7951  21.003  9.5723 25.990  11.135 -4.986389      14.68391 
1 1 1 38 19 5  o 32.231  8.2767 21.607   5.0121  35.844  11.898 28.618  11.509 7.226654       16.55342 
1 1 1 38 19 7  o 36.090  7.6934 25.553   5.0570  26.327  11.448 45.854  10.281 -19.52742      15.38674 
1 1 1 38 19 9  o 21.221  6.8283 5.9449   4.4831  21.781  9.9219 20.662  9.3839 1.119497       13.65654 
1 1 1 38 20 0  o 53.794  11.491 40.992   10.855  53.794  11.491 ?       ?      0.000000       0.000000 
1 1 1 38 20 2  o 50.192  7.8883 43.272   5.4545  50.550  10.800 49.835  11.500 0.7152519      15.77653 
1 1 1 39 1  0  o 26.155  8.1067 8.9391   3.7033  26.155  8.1067 ?       ?      0.000000       0.000000 
1 1 1 39 1  2  o 34.572  4.8485 13.692   2.2915  30.077  7.9467 39.066  5.5570 -8.988565      9.696939 
1 1 1 39 1  4  o 56.887  2.6637 33.298   2.1156  58.037  4.0706 55.737  3.4367 2.300247       5.327365 
1 1 1 39 1  6  o 18.793  5.1903 2.7398   2.0897  16.873  7.3292 20.713  7.3512 -3.840160      10.38067 
1 1 1 39 1  8  o 14.929  4.7976 -1.4101  2.1655  15.240  7.1433 14.618  6.4063 0.6226635      9.595191 
1 1 1 39 1  10 f 29.678  4.9202 10.645   2.0813  24.387  8.4080 34.970  5.1124 -10.58312      9.840306 
1 1 1 39 1  12 o 20.182  5.4297 4.0864   2.0789  20.839  8.3279 19.525  6.9695 1.314535       10.85950 
1 1 1 39 1  14 o 15.620  4.9317 -0.2842  2.1367  16.319  7.4950 14.921  6.4119 1.398483       9.863469 
1 1 1 39 1  16 o 27.613  5.7719 9.8976   2.5109  23.993  9.3764 31.233  6.7338 -7.240456      11.54389 
1 1 1 39 1  18 o 17.928  5.6207 0.1073   2.9792  16.161  7.6241 19.696  8.2608 -3.535173      11.24137 
1 1 1 39 1  20 f 19.760  5.4484 4.5060   2.2329  21.197  7.7955 18.323  7.6138 2.874481       10.89679 
1 1 1 39 1  22 o 30.960  5.6377 12.914   2.4099  29.518  7.0158 32.402  8.8270 -2.883951      11.27547 
1 1 1 39 2  1  o 22.983  5.2094 5.5206   2.0629  17.421  7.0562 28.545  7.6655 -11.12395      10.41870 
1 1 1 39 2  3  o 57.506  2.4725 33.956   2.0067  58.816  3.5825 56.197  3.4086 2.619595       4.944952 
1 1 1 39 2  5  o 51.882  2.7811 27.711   2.0253  55.634  4.0169 48.129  3.8473 7.505180       5.562108 
1 1 1 39 2  7  f 21.886  5.2484 5.0533   1.9702  26.560  7.9999 17.212  6.7960 9.348255       10.49680 
1 1 1 39 2  9  f 64.587  2.4901 43.249   2.2555  64.176  3.7807 64.998  3.2417 -0.8219223     4.980210 
1 1 1 39 2  11 o 28.051  4.9583 9.4266   2.0123  23.774  8.4833 32.328  5.1353 -8.553633      9.916563 
1 1 1 39 2  13 o 27.111  5.6131 8.9478   2.2042  27.251  9.0374 26.971  6.6598 0.2802258      11.22620 
1 1 1 39 2  15 o 23.517  5.5137 6.6233   2.0585  25.478  8.5206 21.556  7.0004 3.921907       11.02747 
1 1 1 39 2  17 o 14.743  4.5665 0.3495   1.7744  13.991  6.0294 15.495  6.8598 -1.503531      9.132978 
1 1 1 39 2  19 f 22.260  6.6824 5.6470   3.0908  19.804  7.6729 24.715  10.943 -4.910486      13.36488 
1 1 1 39 2  21 o 27.345  5.4469 10.070   2.2329  29.955  7.3031 24.735  8.0833 5.220272       10.89380 
1 1 1 39 2  23 o 25.193  5.4704 8.9745   2.2915  29.607  7.3558 20.779  8.0991 8.828730       10.94088 
1 1 1 39 3  0  o 11.552  7.4831 0.5108   3.9587  11.552  7.4831 ?       ?      0.000000       0.000000 
1 1 1 39 3  2  o 25.095  4.9504 7.2508   1.8830  21.577  7.3790 28.612  6.6013 -7.034893      9.900858 
1 1 1 39 3  4  o 34.434  4.1442 13.051   1.9427  39.466  5.1772 29.402  6.4725 10.06343       8.288332 
1 1 1 39 3  6  o 27.926  4.5385 8.8764   1.7089  28.095  7.2314 27.757  5.4861 0.3380871      9.076906 
1 1 1 39 3  8  o 58.251  2.5369 34.900   2.0157  59.639  4.0684 56.863  3.0318 2.776260       5.073790 
1 1 1 39 3  10 o 51.003  2.9849 27.261   1.9332  50.622  5.1714 51.383  2.9823 -0.7605324     5.969714 
1 1 1 39 3  12 o 17.845  5.0341 2.6413   1.8112  19.396  7.8445 16.293  6.3112 3.102808       10.06814 
1 1 1 39 3  14 o 16.455  4.9086 0.3867   2.1044  14.981  7.1074 17.928  6.7721 -2.946561      9.817187 
1 1 1 39 3  16 o 27.290  5.3181 9.2993   2.1385  24.916  7.6908 29.664  7.3472 -4.747900      10.63622 
1 1 1 39 3  18 o 15.502  4.6258 0.6248   1.7308  19.506  7.5589 11.498  5.3343 8.008371       9.251519 
1 1 1 39 3  20 o 22.695  5.6067 6.6404   2.3625  26.743  8.1213 18.648  7.7320 8.094625       11.21338 
1 1 1 39 3  22 o 18.456  5.7615 2.8205   2.7692  16.800  7.2610 20.112  8.9474 -3.312523      11.52290 
1 1 1 39 4  1  o 31.723  3.5835 10.826   1.5637  34.119  4.6786 29.327  5.4294 4.791410       7.167094 
1 1 1 39 4  3  o 25.079  4.4795 7.1180   1.5860  27.169  6.4360 22.990  6.2321 4.179338       8.958911 
1 1 1 39 4  5  o 22.141  4.4383 5.4449   1.4835  26.250  6.3780 18.032  6.1737 8.217667       8.876628 
1 1 1 39 4  7  o 14.749  4.4847 0.5894   1.5717  16.944  7.1173 12.555  5.4584 4.388535       8.969417 
1 1 1 39 4  9  o 36.485  3.4963 14.354   1.7089  35.125  5.8170 37.844  3.8806 -2.719181      6.992577 
1 1 1 39 4  11 o 27.244  4.7191 8.9286   1.8297  22.515  8.2451 31.973  4.5931 -9.458427      9.438127 
1 1 1 39 4  13 o 20.043  4.9741 4.4695   1.7274  19.849  6.6000 20.237  7.4435 -0.3883057     9.948173 
1 1 1 39 4  15 o 30.160  4.3343 10.417   1.7513  28.665  5.5439 31.656  6.6640 -2.991713      8.668550 
1 1 1 39 4  17 o 15.905  4.8123 1.0384   1.9469  16.832  6.9697 14.977  6.6374 1.855124       9.624512 
1 1 1 39 4  19 o 36.289  4.3385 15.765   2.0897  39.912  4.7993 32.666  7.2289 7.245842       8.677005 
1 1 1 39 4  21 o 41.628  3.6732 19.742   2.1271  43.267  4.5748 39.989  5.7481 3.277744       7.346334 
1 1 1 39 4  23 o 15.068  4.8876 -0.3072  2.3469  14.180  6.5430 15.957  7.2626 -1.776692      9.775259 
1 1 1 39 5  0  o 35.225  3.6979 13.025   2.5540  35.225  3.6979 ?       ?      0.000000       0.000000 
1 1 1 39 5  2  o 33.997  2.8644 12.084   1.3720  32.930  4.2658 35.064  3.8240 -2.134098      5.728879 
1 1 1 39 5  4  o 49.988  2.3096 25.751   1.6226  49.581  3.4770 50.394  3.0409 -0.8127899     4.619161 
1 1 1 39 5  6  o 50.161  2.5376 26.192   1.7787  48.946  3.9135 51.376  3.2313 -2.429974      5.075133 
1 1 1 39 5  8  o 51.490  2.5738 27.729   1.7520  50.079  4.3350 52.901  2.7761 -2.821846      5.147689 
1 1 1 39 5  10 o 37.909  3.0481 15.360   1.5860  40.760  3.6030 35.058  4.9175 5.702061       6.096175 
1 1 1 39 5  12 o 20.722  4.7566 4.7446   1.6503  16.961  6.4772 24.483  6.9677 -7.521467      9.513247 
1 1 1 39 5  14 o 14.079  4.3728 -0.0241  1.6866  14.421  6.1825 13.738  6.1857 0.6828709      8.745661 
1 1 1 39 5  16 o 27.382  4.8984 9.2573   1.9218  30.529  5.8558 24.234  7.8542 6.295126       9.796862 
1 1 1 39 5  18 o 17.459  5.0165 2.6922   1.9427  16.023  6.7551 18.895  7.4181 -2.871511      10.03291 
1 1 1 39 5  20 o 21.727  5.2705 5.8884   1.9865  17.838  6.9523 25.615  7.9232 -7.777494      10.54096 
1 1 1 39 5  22 o 44.536  3.6992 22.806   2.3266  43.380  5.1516 45.693  5.3101 -2.312729      7.398398 
1 1 1 39 6  1  o 39.074  2.2546 15.710   1.2443  38.881  3.2844 39.266  3.0896 -0.3844528     4.509186 
1 1 1 39 6  3  o 31.494  2.6682 10.368   1.1804  32.948  3.4883 30.040  4.0385 2.907652       5.336432 
1 1 1 39 6  5  o 28.344  3.1090 8.4676   1.2377  28.785  4.6583 27.904  4.1188 0.8802166      6.218003 
1 1 1 39 6  7  o 19.183  4.2782 4.0023   1.2895  16.737  5.7158 21.629  6.3673 -4.891642      8.556416 
1 1 1 39 6  9  o 41.242  2.9752 17.878   1.6192  41.661  3.2185 40.824  5.0049 0.8365250      5.950459 
1 1 1 39 6  11 o 21.023  4.5307 5.0858   1.4575  20.580  6.0922 21.467  6.7077 -0.8871269     9.061318 
1 1 1 39 6  13 f 19.926  4.8514 4.4204   1.6208  17.882  6.3004 21.970  7.3790 -4.087761      9.702834 
1 1 1 39 6  15 o 17.551  4.9088 2.7324   1.8164  18.060  6.6782 17.042  7.1962 1.018333       9.817567 
1 1 1 39 6  17 o 21.890  5.0934 5.8522   1.7966  21.809  6.5244 21.971  7.8231 -0.1626225     10.18675 
1 1 1 39 6  19 o 24.579  5.1276 7.8393   2.1347  30.425  6.8766 18.732  7.6081 11.69312       10.25529 
1 1 1 39 6  21 o 22.379  5.4216 6.7898   2.0354  21.572  7.1288 23.186  8.1705 -1.614058      10.84328 
1 1 1 39 7  0  o 32.005  2.8353 10.599   1.7878  32.005  2.8353 ?       ?      0.000000       0.000000 
1 1 1 39 7  2  o 23.693  2.9694 5.9253   0.9194  23.339  3.2829 24.048  4.9488 -0.7083645     5.938704 
1 1 1 39 7  4  o 51.617  1.7682 27.258   1.2642  52.884  2.1733 50.351  2.7898 2.533211       3.536425 
1 1 1 39 7  6  o 38.983  2.4281 15.794   1.2708  39.852  2.7237 38.114  4.0206 1.738140       4.856287 
1 1 1 39 7  8  o 15.254  3.9464 2.0943   1.0727  12.780  4.9294 17.727  6.1642 -4.946651      7.892804 
1 1 1 39 7  10 o 41.143  2.6204 17.403   1.4183  40.072  2.8681 42.215  4.3863 -2.142578      5.240764 
1 1 1 39 7  12 o 52.080  2.5096 28.126   1.7520  51.698  2.8407 52.462  4.1381 -0.7643433     5.019242 
1 1 1 39 7  14 o 47.118  2.6505 23.119   1.7089  45.882  3.2008 48.354  4.2256 -2.472137      5.300969 
1 1 1 39 7  16 o 25.097  4.8736 7.7054   1.7673  25.091  6.3526 25.104  7.3927 -0.1278114E-01 9.747214 
1 1 1 39 7  18 o 16.732  4.6697 2.5319   1.6380  13.937  5.9511 19.526  7.1977 -5.588920      9.339317 
1 1 1 39 7  20 o 38.370  4.3027 18.034   2.1004  43.484  4.2582 33.255  7.4780 10.22947       8.605405 
1 1 1 39 7  22 f 35.802  4.5616 15.846   2.2447  31.982  6.6132 39.623  6.2847 -7.640865      9.123127 
1 1 1 39 8  1  o 25.869  7.6409 6.7716   4.7879  22.789  10.165 28.950  11.411 -6.161119      15.28181 
1 1 1 39 8  3  o 43.275  1.9332 18.965   1.1597  44.774  2.9947 41.777  2.4454 2.997509       3.866312 
1 1 1 39 8  5  o 50.255  2.5265 26.179   1.6857  49.903  4.2223 50.608  2.7757 -0.7051239     5.052961 
1 1 1 39 8  7  o 60.379  2.4194 37.568   1.8973  60.483  4.1171 60.275  2.5424 0.2084961      4.838833 
1 1 1 39 8  9  o 23.537  5.5083 6.5699   2.0585  24.985  8.5206 22.089  6.9833 2.896606       11.01663 
1 1 1 39 8  11 o 30.283  3.8244 10.543   1.5085  34.317  3.9073 26.249  6.5755 8.067881       7.648799 
1 1 1 39 8  13 o 41.641  2.8059 18.491   1.5324  43.083  2.9641 40.199  4.7651 2.884281       5.611753 
1 1 1 39 8  15 o 32.562  3.9573 11.947   1.6388  33.254  4.0321 31.871  6.8105 1.383642       7.914652 
1 1 1 39 8  17 o 50.084  3.2480 27.919   2.2056  53.552  3.6962 46.616  5.3419 6.936287       6.495977 
1 1 1 39 8  19 o 30.355  4.5212 11.225   1.8571  28.284  6.0459 32.426  6.7238 -4.141113      9.042314 
1 1 1 39 8  21 o 18.467  5.2349 3.9902   2.0511  17.240  6.9563 19.695  7.8248 -2.454660      10.46984 
1 1 1 39 9  0  o 50.897  10.856 32.564   9.7053  50.897  10.856 ?       ?      0.000000       0.000000 
1 1 1 39 9  2  o 38.616  7.8711 21.373   4.5736  41.327  9.8577 35.904  12.274 5.422455       15.74228 
1 1 1 39 9  4  o 26.080  7.5164 8.0013   4.3623  27.830  11.063 24.330  10.178 3.500168       15.03276 
1 1 1 39 9  6  o 22.546  4.8960 5.4245   1.4991  24.441  3.9187 20.652  8.9738 3.788151       9.792085 
1 1 1 39 9  8  o 17.392  5.8211 -2.4689  3.0648  13.297  6.3315 21.487  9.7701 -8.189678      11.64227 
1 1 1 39 9  10 o 15.489  4.8626 0.2941   1.9136  17.307  7.7333 13.671  5.8972 3.635542       9.725283 
1 1 1 39 9  12 f 18.679  5.0635 2.7428   2.0987  15.927  7.3180 21.431  7.0004 -5.504059      10.12709 
1 1 1 39 9  14 o 36.980  3.0333 14.745   1.3857  38.231  2.8392 35.729  5.3613 2.502434       6.066676 
1 1 1 39 9  16 o 48.915  2.7842 25.471   1.7921  48.749  3.0125 49.081  4.6833 -0.3320389     5.568491 
1 1 1 39 9  18 o 24.663  5.2301 8.1170   2.0113  26.815  6.6834 22.512  8.0465 4.302744       10.46013 
1 1 1 39 9  20 o 17.263  4.8541 3.0064   1.8571  18.889  6.8296 15.638  6.8997 3.250832       9.708143 
1 1 1 39 10 1  o 22.228  7.2004 0.5973   5.1065  21.421  9.7883 23.036  10.563 -1.615576      14.40077 
1 1 1 39 10 3  f 23.684  7.4383 4.0197   4.8395  21.677  9.6363 25.692  11.334 -4.014418      14.87659 
1 1 1 39 10 5  o 30.893  7.8566 13.942   4.7089  26.805  11.514 34.982  10.693 -8.176531      15.71323 
1 1 1 39 10 7  o 21.592  7.0232 0.9428   4.6478  23.193  10.791 19.990  8.9913 3.203283       14.04631 
1 1 1 39 10 9  o 17.839  6.0927 -0.1726  2.1744  11.299  5.1846 24.379  11.028 -13.07991      12.18548 
1 1 1 39 10 11 o 25.229  6.5677 7.5404   2.4324  23.073  6.5894 27.385  11.363 -4.312191      13.13535 
1 1 1 39 10 13 o 15.452  5.1374 -2.3890  2.6516  13.852  6.4123 17.052  8.0283 -3.200080      10.27474 
1 1 1 39 10 15 o 16.945  5.5996 -1.2770  3.2601  16.074  7.4590 17.817  8.3539 -1.742786      11.19928 
1 1 1 39 10 17 o 13.911  4.3088 0.5108   1.5324  11.894  5.2954 15.928  6.7988 -4.034348      8.617696 
1 1 1 39 10 19 o 16.889  4.9784 2.6941   1.9279  16.035  6.5424 17.743  7.5056 -1.707855      9.956745 
1 1 1 39 11 0  o 15.553  10.332 1.1493   8.1729  15.553  10.332 ?       ?      0.000000       0.000000 
1 1 1 39 11 2  f 27.829  7.9803 10.231   5.2120  30.789  11.271 24.869  11.301 5.919123       15.96059 
1 1 1 39 11 4  o 19.372  6.4978 -3.4548  4.5558  18.062  8.4608 20.681  9.8641 -2.619463      12.99557 
1 1 1 39 11 6  o 18.192  5.9188 -1.6305  3.5711  17.077  8.0861 19.307  8.6456 -2.230442      11.83768 
1 1 1 39 11 8  o 20.919  6.7603 1.1831   4.3592  22.001  10.132 19.837  8.9530 2.163998       13.52054 
1 1 1 39 11 10 o 33.977  5.7080 15.939   2.0048  40.944  3.1189 27.009  10.982 13.93523       11.41597 
1 1 1 39 11 12 o 35.116  5.9605 15.320   2.5485  34.665  5.3416 35.567  10.657 -0.9026566     11.92090 
1 1 1 39 11 14 o 34.664  5.8484 17.304   2.7383  41.757  4.8931 27.571  10.624 14.18585       11.69681 
1 1 1 39 11 16 f 19.542  6.0371 3.6012   2.9052  17.956  7.4873 21.128  9.4725 -3.171797      12.07427 
1 1 1 39 11 18 o 16.660  5.4265 1.5385   1.8775  12.256  5.3242 21.063  9.4572 -8.806549      10.85295 
1 1 1 39 12 1  f 43.485  7.2513 26.659   4.4374  48.672  9.3868 38.298  11.055 10.37393       14.50264 
1 1 1 39 12 3  o 24.151  7.3728 6.1661   4.5972  24.384  10.099 23.918  10.745 0.4659824      14.74561 
1 1 1 39 12 5  o 19.479  6.4190 -1.4180  4.2983  18.983  8.8421 19.975  9.3077 -0.9921188     12.83805 
1 1 1 39 12 7  o 24.818  6.9950 5.3249   4.3409  18.035  8.6333 31.602  11.008 -13.56679      13.98992 
1 1 1 39 12 9  o 32.187  7.8826 16.557   4.4264  34.187  10.929 30.188  11.362 3.999054       15.76527 
1 1 1 39 12 11 o 19.769  5.7246 3.4753   2.1071  18.915  6.1737 20.624  9.6421 -1.709143      11.44921 
1 1 1 39 12 13 o 48.171  5.4812 27.085   2.6902  46.486  3.9833 49.857  10.213 -3.371742      10.96234 
1 1 1 39 12 15 o 32.159  6.1651 15.348   2.9508  37.166  6.0129 27.151  10.765 10.01475       12.33018 
1 1 1 39 12 17 o 42.180  5.7729 24.889   2.8355  48.652  4.4621 35.707  10.649 12.94450       11.54575 
1 1 1 39 13 0  o 46.803  12.345 30.521   9.9607  46.803  12.345 ?       ?      0.000000       0.000000 
1 1 1 39 13 2  o 38.010  8.2767 23.175   4.8844  37.642  11.682 38.378  11.728 -0.7362328     16.55333 
1 1 1 39 13 4  o 23.604  7.4100 4.8396   5.0104  25.836  11.067 21.373  9.8561 4.462387       14.81991 
1 1 1 39 13 6  o 20.986  6.7206 1.6349   4.3344  21.712  9.5239 20.260  9.4848 1.452044       13.44117 
1 1 1 39 13 8  o 29.548  7.7365 14.267   4.3080  28.767  11.284 30.329  10.587 -1.561640      15.47302 
1 1 1 39 13 10 o 28.411  7.8299 14.113   4.6113  32.194  11.742 24.627  10.361 7.567776       15.65981 
1 1 1 39 13 12 o 20.560  5.0659 3.9332   1.9411  23.366  5.3109 17.754  8.6283 5.612513       10.13182 
1 1 1 39 13 14 o 26.172  6.3417 9.9566   2.5952  25.446  7.2028 26.899  10.440 -1.453234      12.68349 
1 1 1 39 13 16 o 45.634  5.4491 27.702   2.8733  50.651  4.4121 40.617  9.9652 10.03387       10.89826 
1 1 1 39 14 1  o 28.213  7.5849 12.229   4.2694  26.175  10.716 30.250  10.737 -4.074928      15.16988 
1 1 1 39 14 3  f 29.242  8.2034 14.529   5.0240  30.096  11.954 28.387  11.237 1.708574       16.40678 
1 1 1 39 14 5  o 21.280  6.9775 1.8075   4.9279  22.837  10.484 19.723  9.2101 3.113800       13.95498 
1 1 1 39 14 7  o 21.184  6.9055 2.6783   4.6795  23.872  10.733 18.497  8.6914 5.374708       13.81105 
1 1 1 39 14 9  o 25.874  7.8856 11.655   5.1976  28.152  11.849 23.597  10.408 4.554670       15.77120 
1 1 1 39 14 11 o 20.351  6.7392 0.9376   4.9925  19.189  9.2961 21.514  9.7596 -2.325016      13.47838 
1 1 1 39 14 13 o 19.644  5.5675 4.3686   1.9234  18.086  6.0249 21.202  9.3642 -3.116327      11.13504 
1 1 1 39 14 15 o 23.614  6.0515 8.2663   2.8200  26.468  7.7256 20.761  9.3164 5.706297       12.10293 
1 1 1 39 15 0  o 20.691  12.519 9.3222   9.3222  20.691  12.519 ?       ?      0.000000       0.000000 
1 1 1 39 15 2  o 20.973  6.7070 3.2588   4.2170  23.397  10.263 18.550  8.6372 4.846842       13.41391 
1 1 1 39 15 4  o 24.866  7.2879 9.4433   4.3409  22.083  9.8336 27.650  10.759 -5.567490      14.57585 
1 1 1 39 15 6  o 22.596  7.0100 3.5499   4.5538  28.873  11.551 16.320  7.9456 12.55230       14.01991 
1 1 1 39 15 8  o 21.922  7.1743 4.3886   5.1859  20.098  9.4111 23.747  10.831 -3.649212      14.34860 
1 1 1 39 15 10 o 25.856  7.6043 12.354   4.6272  24.740  10.623 26.972  10.884 -2.232418      15.20864 
1 1 1 39 15 12 o 18.717  6.1764 1.1493   4.0241  19.105  8.9717 18.329  8.4911 0.7761612      12.35272 
1 1 1 39 16 1  o 25.066  7.5037 10.127   4.6928  22.610  10.090 27.521  11.109 -4.911966      15.00734 
1 1 1 39 16 3  o 21.855  7.0125 4.7241   4.7549  20.344  9.5285 23.365  10.291 -3.021288      14.02495 
1 1 1 39 16 5  o 22.172  7.0674 5.4710   4.6051  19.056  8.8896 25.289  10.990 -6.232729      14.13482 
1 1 1 39 16 7  o 31.703  8.2661 20.251   4.8336  30.900  10.984 32.506  12.356 -1.605968      16.53215 
1 1 1 39 16 9  o 26.365  8.0468 14.976   5.7275  28.817  11.668 23.914  11.084 4.903036       16.09368 
1 1 1 39 16 11 o 24.482  7.2808 10.978   4.1627  25.902  11.007 23.061  9.5340 2.841318       14.56165 
1 1 1 39 17 0  o 18.885  12.323 7.5344   10.982  18.885  12.323 ?       ?      0.000000       0.000000 
1 1 1 39 17 2  f 25.966  7.6206 11.018   5.4436  32.057  11.806 19.876  9.6396 12.18037       15.24121 
1 1 1 39 17 4  o 30.139  8.4854 20.780   5.5144  31.551  11.649 28.726  12.342 2.825363       16.97088 
1 1 1 39 17 6  o 25.748  7.6946 13.252   4.9226  27.101  10.758 24.395  11.004 2.706268       15.38923 
1 1 1 39 17 8  o 21.444  7.2439 3.9113   6.1876  23.930  11.110 18.957  9.2987 4.972670       14.48786 
1 1 1 39 18 1  f 22.485  7.5701 7.2567   6.5960  24.548  11.454 20.422  9.9008 4.125484       15.14014 
1 1 1 39 18 3  o 25.673  8.2448 16.279   6.4727  27.411  12.305 23.934  10.977 3.476810       16.48954 
1 1 1 40 1  1  o 46.452  3.3978 22.862   2.2183  49.348  4.9168 43.557  4.6909 5.790958       6.795554 
1 1 1 40 1  3  o 19.703  5.3304 3.6099   2.1385  17.245  7.2351 22.161  7.8299 -4.915695      10.66088 
1 1 1 40 1  5  o 28.275  5.3780 9.5276   2.1469  30.736  8.1680 25.814  6.9981 4.921986       10.75593 
1 1 1 40 1  7  o 40.695  4.4536 18.754   2.4081  39.868  7.3204 41.522  5.0745 -1.654613      8.907220 
1 1 1 40 1  9  o 71.382  2.5665 53.419   2.5141  69.705  4.1220 73.059  3.0588 -3.354416      5.133001 
1 1 1 40 1  11 o 21.191  5.7030 5.0059   2.2986  21.842  8.7262 20.539  7.3450 1.302628       11.40600 
1 1 1 40 1  13 o 22.166  5.7080 5.8294   2.2227  22.932  8.9166 21.400  7.1288 1.531469       11.41599 
1 1 1 40 1  15 o 22.802  5.6311 6.6511   2.2348  22.095  8.5346 23.510  7.3483 -1.415178      11.26221 
1 1 1 40 1  17 o 21.143  6.0022 5.2733   2.3527  24.514  9.8599 17.772  6.8475 6.742041       12.00439 
1 1 1 40 1  19 o 16.447  5.1939 0.9917   2.3774  16.054  6.7611 16.840  7.8863 -0.7855110     10.38776 
1 1 1 40 2  0  o 79.960  3.2860 65.255   5.2357  79.960  3.2860 ?       ?      0.000000       0.000000 
1 1 1 40 2  2  o 67.144  2.3556 46.563   2.2329  67.634  3.2098 66.654  3.4486 0.9800797      4.711185 
1 1 1 40 2  4  o 68.692  2.3704 48.824   2.2968  67.513  3.4993 69.871  3.1984 -2.358665      4.740751 
1 1 1 40 2  6  o 71.230  2.4694 52.450   2.3882  71.725  4.0059 70.735  2.8885 0.9897919      4.938748 
1 1 1 40 2  8  o 63.444  2.6758 41.948   2.2779  63.706  4.4100 63.183  3.0317 0.5226555      5.351571 
1 1 1 40 2  10 o 45.319  3.1356 21.654   1.9702  47.766  4.8123 42.873  4.0211 4.892921       6.271131 
1 1 1 40 2  12 f 28.951  5.4040 10.804   2.2986  24.807  8.9833 33.095  6.0094 -8.288759      10.80804 
1 1 1 40 2  14 o 29.427  5.3191 10.683   2.0572  27.727  9.4306 31.126  4.9232 -3.399658      10.63828 
1 1 1 40 2  16 o 18.102  5.4029 2.7746   2.2754  18.648  8.2959 17.556  6.9242 1.092123       10.80587 
1 1 1 40 2  18 o 26.408  5.7248 9.7053   2.3349  26.972  7.5285 25.844  8.6264 1.128195       11.44958 
1 1 1 40 2  20 o 23.552  6.0631 7.8855   2.6072  18.824  7.6229 28.279  9.4305 -9.454176      12.12614 
1 1 1 40 3  1  o 42.276  3.2111 18.983   1.9134  43.041  4.3020 41.511  4.7683 1.530155       6.422137 
1 1 1 40 3  3  o 49.864  2.7263 26.032   1.9134  48.446  4.0857 51.282  3.6107 -2.836250      5.452536 
1 1 1 40 3  5  o 50.829  2.8496 27.140   2.0352  50.607  4.2898 51.051  3.7522 -0.4440765     5.699177 
1 1 1 40 3  7  o 56.886  2.5413 33.434   2.0113  59.003  3.8958 54.770  3.2642 4.232979       5.082532 
1 1 1 40 3  9  o 25.020  5.2602 7.6925   1.9986  24.237  7.8541 25.804  6.9993 -1.567362      10.52032 
1 1 1 40 3  11 o 16.929  4.9795 1.9897   1.9279  17.629  7.4838 16.229  6.5708 1.400223       9.958993 
1 1 1 40 3  13 o 19.674  5.0756 3.8761   1.9005  18.029  8.0288 21.319  6.2118 -3.289757      10.15128 
1 1 1 40 3  15 o 28.802  5.1659 10.744   2.1690  33.232  6.5743 24.372  7.9703 8.860470       10.33182 
1 1 1 40 3  17 o 19.807  5.1550 4.7888   1.9155  18.822  7.2259 20.793  7.3541 -1.971497      10.31004 
1 1 1 40 3  19 o 24.118  5.5177 8.1428   2.1634  25.206  7.5324 23.031  8.0648 2.175035       11.03531 
1 1 1 40 4  0  o 17.721  8.2083 4.9803   3.1925  17.721  8.2083 ?       ?      0.000000       0.000000 
1 1 1 40 4  2  f 36.850  3.3114 14.494   1.7240  37.803  4.5603 35.897  4.8025 1.905960       6.622705 
1 1 1 40 4  4  o 74.637  2.2422 57.352   2.3469  75.389  3.3878 73.885  2.9382 1.503685       4.484454 
1 1 1 40 4  6  o 65.960  2.4118 45.235   2.2183  64.927  3.7370 66.992  3.0499 -2.064857      4.823600 
1 1 1 40 4  8  o 60.089  2.5195 38.126   2.0157  57.448  4.2235 62.730  2.7482 -5.281929      5.038953 
1 1 1 40 4  10 o 46.360  3.1506 23.327   1.9865  43.328  5.1578 49.393  3.6196 -6.065128      6.301142 
1 1 1 40 4  12 o 16.710  4.6502 1.9486   1.7216  13.424  6.0054 19.997  7.1015 -6.573101      9.300306 
1 1 1 40 4  14 o 21.533  5.1834 5.5365   1.9773  17.832  7.1247 25.234  7.5307 -7.401705      10.36687 
1 1 1 40 4  16 o 17.735  5.0707 2.9128   2.0067  15.488  6.7086 19.982  7.6055 -4.493737      10.14139 
1 1 1 40 4  18 o 21.497  5.3373 6.0832   2.0897  23.747  7.3334 19.246  7.7567 4.501554       10.67455 
1 1 1 40 4  20 o 18.594  5.4117 4.0066   2.2827  18.963  7.9050 18.226  7.3931 0.7366219      10.82347 
1 1 1 40 5  1  o 29.471  3.6644 9.6386   1.4658  26.746  5.8885 32.196  4.3630 -5.450422      7.328712 
1 1 1 40 5  3  o 30.970  3.3524 10.260   1.4658  31.596  4.8501 30.344  4.6292 1.251312       6.704716 
1 1 1 40 5  5  o 45.577  2.7241 21.738   1.6648  45.394  4.5010 45.760  3.0698 -0.3654099     5.448183 
1 1 1 40 5  7  o 50.780  2.6527 27.077   1.8571  49.934  4.2197 51.626  3.2157 -1.691944      5.305345 
1 1 1 40 5  9  o 53.055  2.3295 29.400   1.7027  54.600  2.8066 51.510  3.7188 3.090893       4.658979 
1 1 1 40 5  11 o 18.864  4.4874 3.8630   1.5218  21.835  6.1641 15.894  6.5231 5.941163       8.974765 
1 1 1 40 5  13 o 15.940  4.6976 1.6086   1.7251  15.829  6.1640 16.050  7.0905 -0.2213945     9.395220 
1 1 1 40 5  15 o 19.602  5.0654 4.6325   1.8429  20.280  6.9955 18.923  7.3276 1.357000       10.13074 
1 1 1 40 5  17 o 21.400  5.4813 6.0038   2.1271  20.319  7.4465 22.480  8.0454 -2.161499      10.96257 
1 1 1 40 5  19 o 18.323  5.3622 3.6602   2.2447  16.969  7.1222 19.676  8.0178 -2.706760      10.72430 
1 1 1 40 6  0  o 62.880  2.9588 40.353   3.7033  62.880  2.9588 ?       ?      0.000000       0.000000 
1 1 1 40 6  2  o 46.103  2.1994 21.667   1.4189  50.097  3.1863 42.110  3.0326 7.987034       4.398779 
1 1 1 40 6  4  o 38.626  2.5886 15.603   1.3931  38.142  4.0176 39.110  3.2652 -0.9681473     5.177140 
1 1 1 40 6  6  o 45.400  2.3599 21.487   1.3992  46.245  2.4853 44.555  4.0126 1.689484       4.719864 
1 1 1 40 6  8  o 17.442  4.4358 3.0540   1.4455  18.904  5.8358 15.980  6.6821 2.924781       8.871662 
1 1 1 40 6  10 o 37.983  3.1842 15.842   1.5775  40.873  3.2805 35.092  5.4585 5.780918       6.368461 
1 1 1 40 6  12 o 44.688  2.7804 21.094   1.7414  43.648  3.6571 45.728  4.1889 -2.080627      5.560719 
1 1 1 40 6  14 o 48.533  3.0235 25.763   1.9500  50.528  3.2855 46.538  5.0765 3.990078       6.046917 
1 1 1 40 6  16 o 43.927  3.4442 21.385   1.9646  44.380  3.5968 43.474  5.8748 0.9058342      6.888371 
1 1 1 40 6  18 o 22.837  5.6006 7.3185   2.2123  23.578  7.3440 22.096  8.4578 1.482174       11.20126 
1 1 1 40 7  1  o 49.984  1.5480 25.518   1.0817  51.818  1.9715 48.149  2.3870 3.669529       3.095906 
1 1 1 40 7  3  o 44.469  1.9708 20.615   1.1113  46.164  1.9364 42.775  3.4332 3.388744       3.941661 
1 1 1 40 7  5  o 39.922  2.2557 16.159   1.1460  38.624  2.3144 41.221  3.8725 -2.596378      4.511363 
1 1 1 40 7  7  o 11.779  3.7029 -0.3143  1.1788  11.084  4.7716 12.475  5.6638 -1.390493      7.405826 
1 1 1 40 7  9  o 20.319  3.8950 4.7698   1.1390  21.718  4.5555 18.919  6.3190 2.798939       7.789921 
1 1 1 40 7  11 o 16.296  4.4305 2.5029   1.3792  14.818  5.6237 17.775  6.8477 -2.956883      8.860988 
1 1 1 40 7  13 o 46.338  2.8834 23.255   1.8164  47.913  3.3316 44.764  4.7071 3.149197       5.766821 
1 1 1 40 7  15 o 32.858  3.8662 12.422   1.6861  33.491  4.3849 32.225  6.3689 1.265503       7.732418 
1 1 1 40 7  17 f 47.750  2.7876 25.023   1.7744  50.416  3.0396 45.084  4.6736 5.331661       5.575110 
1 1 1 40 8  0  o 16.213  10.725 1.9155   8.6837  16.213  10.725 ?       ?      0.000000       0.000000 
1 1 1 40 8  2  o 27.276  7.4892 10.354   4.1703  24.394  10.053 30.157  11.104 -5.763088      14.97843 
1 1 1 40 8  4  o 44.433  2.0920 20.283   1.2895  45.056  3.2594 43.811  2.6233 1.244736       4.183985 
1 1 1 40 8  6  o 25.850  4.5039 8.0026   1.5726  22.935  7.9596 28.765  4.2175 -5.830591      9.007881 
1 1 1 40 8  8  o 20.919  5.2525 4.9571   1.9503  19.882  8.2404 21.956  6.5155 -2.074549      10.50500 
1 1 1 40 8  10 o 35.670  4.8039 15.083   2.0684  34.191  8.5934 37.150  4.2968 -2.958931      9.607808 
1 1 1 40 8  12 o 21.445  3.9685 5.4911   1.1919  24.263  3.6843 18.626  7.0301 5.636593       7.937037 
1 1 1 40 8  14 o 38.912  3.2726 16.141   1.5881  37.385  3.2450 40.440  5.6841 -3.054592      6.545149 
1 1 1 40 8  16 o 40.935  3.1681 18.409   1.7744  40.294  3.8031 41.576  5.0680 -1.282158      6.336205 
1 1 1 40 8  18 f 31.145  4.0956 11.667   1.7414  31.649  5.0436 30.640  6.4541 1.009232       8.191100 
1 1 1 40 9  1  o 26.387  7.9938 9.5730   5.3313  25.917  11.191 26.857  11.417 -0.9404316     15.98759 
1 1 1 40 9  3  o 22.490  7.0929 2.6335   4.8036  19.945  9.4689 25.035  10.563 -5.090574      14.18570 
1 1 1 40 9  5  o 25.731  7.6766 8.8727   4.7879  25.875  10.923 25.586  10.789 0.2896919      15.35320 
1 1 1 40 9  7  o 40.599  6.1167 20.672   2.0328  44.231  2.8871 36.967  11.888 7.264156       12.23345 
1 1 1 40 9  9  o 42.557  4.3129 20.970   2.3188  40.891  7.4593 44.222  4.3316 -3.330566      8.625797 
1 1 1 40 9  11 o 40.640  4.7222 20.392   2.2583  36.325  8.5664 44.956  3.9768 -8.631783      9.444460 
1 1 1 40 9  13 o 26.288  5.8823 9.5508   2.3774  25.420  9.5845 27.155  6.8220 -1.734932      11.76452 
1 1 1 40 9  15 o 15.032  3.9258 0.9851   1.4177  18.483  5.4834 11.582  5.6195 6.900154       7.851505 
1 1 1 40 9  17 o 20.865  5.0384 5.7936   1.7923  21.645  6.6966 20.086  7.5299 1.558958       10.07687 
1 1 1 40 10 0  f 24.671  13.704 12.898   9.8330  24.671  13.704 ?       ?      0.000000       0.000000 
1 1 1 40 10 2  o 27.665  7.8944 10.872   4.6219  32.758  12.484 22.572  9.6667 10.18539       15.78882 
1 1 1 40 10 4  o 36.575  8.4589 21.893   4.8858  38.902  12.992 34.248  10.836 4.654011       16.91778 
1 1 1 40 10 6  o 21.360  6.9344 1.1781   4.8154  18.888  9.0027 23.833  10.550 -4.945114      13.86872 
1 1 1 40 10 8  o 26.001  5.6302 8.0414   1.4464  28.054  2.9588 23.948  10.865 4.105610       11.26032 
1 1 1 40 10 10 o 28.265  6.0367 11.039   2.6712  33.286  4.9874 23.243  10.995 10.04314       12.07337 
1 1 1 40 10 12 o 26.690  5.9131 10.174   2.7243  31.159  6.7477 22.221  9.7122 8.938614       11.82619 
1 1 1 40 10 14 o 25.029  6.4656 9.5456   2.8400  24.445  7.9703 25.614  10.183 -1.168680      12.93113 
1 1 1 40 10 16 o 16.716  5.4466 1.6726   1.9252  13.396  5.5467 20.035  9.3752 -6.639376      10.89311 
1 1 1 40 11 1  o 23.819  7.4395 5.1706   4.7091  29.158  12.110 18.481  8.6448 10.67690       14.87903 
1 1 1 40 11 3  o 36.193  8.2238 22.979   5.1924  30.480  12.643 41.907  10.520 -11.42703      16.44761 
1 1 1 40 11 5  o 32.732  8.1554 19.453   5.1233  28.065  12.204 37.398  10.822 -9.333212      16.31086 
1 1 1 40 11 7  o 24.353  7.6902 8.7321   5.4493  23.828  11.059 24.878  10.689 -1.050749      15.38041 
1 1 1 40 11 9  o 20.369  7.0499 -4.9318  6.2216  24.491  11.538 16.247  8.1047 8.244127       14.09990 
1 1 1 40 11 11 o 13.636  4.6207 -3.1378  2.1892  12.413  5.6434 14.858  7.3182 -2.444345      9.241434 
1 1 1 40 11 13 o 23.271  6.0260 7.7545   2.5100  23.612  7.3419 22.930  9.5576 0.6820545      12.05205 
1 1 1 40 11 15 o 25.414  6.4152 10.309   2.8847  26.079  8.1626 24.750  9.8992 1.328524       12.83048 
1 1 1 40 12 0  o 19.547  12.470 7.6621   10.471  19.547  12.470 ?       ?      0.000000       0.000000 
1 1 1 40 12 2  f 21.557  7.1500 2.6101   5.3457  22.903  10.798 20.210  9.3748 2.693083       14.30005 
1 1 1 40 12 4  o 24.180  7.5025 8.4594   4.9834  23.473  10.979 24.886  10.227 -1.413168      15.00501 
1 1 1 40 12 6  o 26.938  8.1303 13.759   5.5614  25.820  11.706 28.057  11.286 -2.237770      16.26054 
1 1 1 40 12 8  o 26.828  7.9750 13.383   5.0028  27.297  12.054 26.358  10.445 0.9387341      15.95000 
1 1 1 40 12 10 o 23.236  7.6480 7.2245   6.0228  26.233  11.835 20.239  9.6900 5.993641       15.29601 
1 1 1 40 12 12 o 15.416  5.0476 -0.0045  2.1424  13.736  5.9108 17.096  8.1840 -3.360515      10.09529 
1 1 1 40 13 1  o 23.591  7.3889 7.0944   4.9136  27.363  11.514 19.819  9.2630 7.543713       14.77784 
1 1 1 40 13 3  o 32.551  8.0251 19.090   4.4669  33.305  12.120 31.798  10.522 1.506657       16.05029 
1 1 1 40 13 5  o 46.282  8.1243 36.870   5.4882  37.399  12.347 55.166  10.562 -17.76720      16.24858 
1 1 1 40 13 7  o 32.338  7.9774 19.695   4.6289  36.369  11.387 28.307  11.175 8.062061       15.95480 
1 1 1 40 13 9  o 37.298  8.3116 26.578   4.8634  37.374  12.421 37.222  11.048 0.1514664      16.62322 
1 1 1 40 13 11 o 18.046  6.1788 -2.8279  4.8224  18.314  8.9177 17.778  8.5549 0.5357494      12.35765 
1 1 1 40 14 0  o 12.182  8.7205 -6.3850  8.8114  12.182  8.7205 ?       ?      0.000000       0.000000 
1 1 1 40 14 2  o 23.052  7.2276 7.5864   4.7686  22.171  10.297 23.932  10.145 -1.760632      14.45521 
1 1 1 40 14 4  o 29.450  8.1523 17.820   4.9482  30.261  11.589 28.639  11.469 1.622335       16.30454 
1 1 1 40 14 6  o 48.781  8.1221 41.264   5.5185  51.607  11.320 45.955  11.650 5.651428       16.24427 
1 1 1 40 14 8  o 21.385  7.0639 5.1272   5.3267  21.187  9.9677 21.582  10.012 -0.3945847     14.12774 
1 1 1 40 15 1  o 22.235  7.0695 3.4302   5.4254  26.752  11.045 17.719  8.8270 9.032520       14.13892 
1 1 1 40 15 3  o 19.756  6.7331 0.1897   5.4697  18.478  8.9249 21.035  10.084 -2.556980      13.46616 
1 1 1 40 15 5  o 24.675  7.5547 11.637   5.0422  22.566  10.410 26.785  10.951 -4.219679      15.10933 
1 1 1 41 1  0  o 52.175  5.1071 29.244   5.2357  52.175  5.1071 ?       ?      0.000000       0.000000 
1 1 1 41 1  2  o 27.095  5.9077 9.5546   2.4885  25.897  8.2945 28.293  8.4147 -2.395687      11.81545 
1 1 1 41 1  4  o 68.999  2.9613 51.094   2.6450  66.576  5.0831 71.422  3.0396 -4.846176      5.922535 
1 1 1 41 1  6  o 100.710 2.1786 104.708  3.0701  102.126 3.3136 99.294  2.8294 2.831429       4.357242 
1 1 1 41 1  8  o 100.850 2.2600 105.554  3.2165  103.752 3.2617 97.947  3.1291 5.805695       4.519921 
1 1 1 41 1  10 o 66.564  2.9352 48.620   2.5848  61.701  4.9673 71.427  3.1287 -9.726692      5.870481 
1 1 1 41 1  12 o 20.964  5.6860 5.4480   2.3384  20.730  8.6623 21.198  7.3680 -0.4675198     11.37197 
1 1 1 41 1  14 o 20.959  5.8321 5.5195   2.3396  22.384  9.2659 19.533  7.0849 2.850912       11.66417 
1 1 1 41 1  16 o 17.771  5.6745 1.9960   2.7025  20.644  9.1518 14.899  6.7116 5.745356       11.34903 
1 1 1 41 2  1  o 15.435  4.7516 0.6008   1.9344  15.615  6.8933 15.254  6.5415 0.3606634      9.503110 
1 1 1 41 2  3  o 40.422  3.9053 18.042   2.2183  43.193  5.6174 37.651  5.4267 5.541618       7.810508 
1 1 1 41 2  5  o 66.131  2.4945 45.554   2.3091  67.626  3.7767 64.636  3.2599 2.990425       4.989007 
1 1 1 41 2  7  o 38.837  3.7720 16.566   2.0511  41.095  5.5934 36.579  5.0621 4.516174       7.543927 
1 1 1 41 2  9  o 41.036  4.1727 19.136   2.3225  41.486  6.7719 40.585  4.8771 0.9014473      8.345373 
1 1 1 41 2  11 o 52.905  3.3212 30.057   2.3854  57.140  5.2520 48.671  4.0668 8.468800       6.642466 
1 1 1 41 2  13 o 33.861  5.4520 14.516   2.3609  35.507  9.1232 32.215  5.9719 3.292084       10.90402 
1 1 1 41 2  15 o 16.834  5.3020 1.6028   2.3264  19.162  8.4358 14.506  6.4253 4.656505       10.60408 
1 1 1 41 2  17 o 26.476  5.8407 10.350   2.4246  27.020  8.1045 25.931  8.4127 1.089193       11.68147 
1 1 1 41 3  0  o 7.9073  5.5902 -2.9371  3.3202  7.9073  5.5902 ?       ?      0.000000       0.000000 
1 1 1 41 3  2  o 42.060  3.1315 19.003   1.8429  41.170  4.8078 42.949  4.0139 -1.779285      6.263084 
1 1 1 41 3  4  o 65.502  2.6020 44.797   2.3429  66.490  4.1293 64.514  3.1671 1.975929       5.203985 
1 1 1 41 3  6  o 53.952  2.9359 30.842   2.2056  55.092  4.5201 52.813  3.7479 2.278362       5.871737 
1 1 1 41 3  8  o 23.392  4.9282 6.6962   1.7089  24.456  7.5783 22.329  6.3023 2.127296       9.856469 
1 1 1 41 3  10 o 23.343  5.5963 7.1768   2.1454  23.675  8.6684 23.010  7.0805 0.6654758      11.19261 
1 1 1 41 3  12 o 19.658  5.4154 4.4246   2.0684  20.103  8.4930 19.212  6.7214 0.8905220      10.83087 
1 1 1 41 3  14 o 36.353  4.4685 16.167   2.1240  38.980  4.7503 33.726  7.5701 5.254322       8.937073 
1 1 1 41 3  16 o 27.921  4.7587 10.375   2.1051  36.184  5.6467 19.658  7.6612 16.52581       9.517367 
1 1 1 41 4  1  o 48.418  2.6312 24.728   1.7787  47.057  4.0706 49.779  3.3350 -2.721546      5.262324 
1 1 1 41 4  3  o 78.948  2.2741 64.946   2.5120  76.737  3.4947 81.159  2.9109 -4.421875      4.548203 
1 1 1 41 4  5  o 71.894  2.3050 53.774   2.3091  71.531  3.5705 72.257  2.9161 -0.7255783     4.609972 
1 1 1 41 4  7  o 39.974  3.4225 17.461   1.8815  39.796  5.4551 40.151  4.1347 -0.3546715     6.844966 
1 1 1 41 4  9  o 29.427  4.7384 11.242   1.8648  23.972  8.4904 34.883  4.2100 -10.91085      9.476880 
1 1 1 41 4  11 o 21.535  5.5577 5.9945   2.1802  22.435  8.2423 20.636  7.4578 1.799761       11.11543 
1 1 1 41 4  13 o 14.458  4.5273 0.3697   1.7923  12.747  5.7855 16.170  6.9653 -3.423646      9.054643 
1 1 1 41 4  15 o 17.335  5.0373 2.8467   2.0511  18.603  7.1153 16.067  7.1324 2.536343       10.07465 
1 1 1 41 5  0  o 7.5679  5.2014 -1.1493  2.4263  7.5679  5.2014 ?       ?      0.000000       0.000000 
1 1 1 41 5  2  o 49.266  2.4307 25.359   1.6914  49.890  3.3275 48.641  3.5442 1.248642       4.861487 
1 1 1 41 5  4  o 70.052  2.1202 50.823   2.0354  69.407  3.4038 70.698  2.5288 -1.291077      4.240367 
1 1 1 41 5  6  o 59.962  2.3750 37.680   1.9279  59.157  3.8856 60.766  2.7320 -1.609291      4.749920 
1 1 1 41 5  8  o 47.683  3.5058 25.250   2.3556  48.065  5.1808 47.302  4.7245 0.7634125      7.011568 
1 1 1 41 5  10 o 43.856  3.0743 21.097   1.7966  45.517  3.3667 42.195  5.1450 3.322563       6.148617 
1 1 1 41 5  12 o 21.357  5.2344 5.7932   1.8648  21.495  6.3782 21.219  8.3015 0.2761784      10.46886 
1 1 1 41 5  14 f 15.909  4.6477 2.1131   1.6432  13.560  5.8061 18.258  7.2589 -4.698529      9.295330 
1 1 1 41 6  1  o 30.373  2.7497 9.7605   1.1804  30.851  3.9324 29.896  3.8444 0.9547977      5.499335 
1 1 1 41 6  3  o 11.290  3.5989 -0.6990  1.2098  11.528  5.2073 11.052  4.9690 0.4760303      7.197704 
1 1 1 41 6  5  o 14.240  3.9537 1.6534   1.0922  13.708  4.8418 14.771  6.2518 -1.063124      7.907472 
1 1 1 41 6  7  o 18.508  4.4573 3.9413   1.3322  17.283  5.5491 19.733  6.9769 -2.450264      8.914586 
1 1 1 41 6  9  o 14.785  4.1206 1.5381   1.3508  16.183  5.5539 13.387  6.0887 2.795219       8.241231 
1 1 1 41 6  11 o 11.743  3.8399 -1.2826  1.4241  10.039  4.7129 13.447  6.0635 -3.408480      7.679739 
1 1 1 41 6  13 o 19.768  5.0079 4.9209   1.8164  21.128  6.7238 18.408  7.4234 2.719742       10.01581 
1 1 1 41 6  15 o 26.551  4.8208 9.4924   1.8623  30.384  5.4515 22.719  7.9524 7.664831       9.641526 
1 1 1 41 7  0  o 11.074  5.4129 1.9155   1.4047  11.074  5.4129 ?       ?      0.000000       0.000000 
1 1 1 41 7  2  o 16.702  4.3372 2.9134   1.3126  16.838  6.6625 16.565  5.5547 0.2735291      8.674326 
1 1 1 41 7  4  o 24.731  4.6701 7.4717   1.5902  24.339  7.7229 25.123  5.2533 -0.7843914     9.340264 
1 1 1 41 7  6  o 13.771  4.4320 -1.0392  1.7724  17.098  7.3222 10.443  4.9957 6.654021       8.864079 
1 1 1 41 7  8  o 17.037  4.7722 1.7085   1.9832  14.210  6.7618 19.865  6.7361 -5.654199      9.544458 
1 1 1 41 7  10 o 11.722  3.5704 -0.1208  1.1390  12.708  5.0502 10.737  5.0484 1.970398       7.140847 
1 1 1 41 7  12 o 12.746  4.0968 -0.3101  1.4542  10.857  4.9203 14.634  6.5518 -3.776837      8.193638 
1 1 1 41 7  14 o 20.967  4.9852 5.7698   1.7089  20.237  6.4501 21.698  7.6031 -1.461000      9.970490 
1 1 1 41 8  1  o 22.972  7.3840 6.0128   5.2582  22.964  10.518 22.980  10.367 -0.1662445E-01 14.76793 
1 1 1 41 8  3  o 26.038  7.8432 11.432   5.1648  29.092  11.798 22.985  10.338 6.107821       15.68635 
1 1 1 41 8  5  o 36.224  2.8324 14.239   1.3583  34.784  4.7726 37.664  3.0515 -2.879829      5.664724 
1 1 1 41 8  7  o 26.251  4.5888 8.6517   1.7057  22.905  7.8551 29.597  4.7461 -6.691544      9.177568 
1 1 1 41 8  9  o 60.635  3.2120 40.124   2.6051  61.418  5.3020 59.851  3.6272 1.567474       6.423978 
1 1 1 41 8  11 o 33.165  4.8980 16.163   2.2230  22.066  8.9886 44.265  3.8947 -22.19892      9.796094 
1 1 1 41 8  13 f 17.442  4.3418 3.3828   1.3760  19.057  5.2122 15.827  6.9453 3.230435       8.683596 
1 1 1 41 9  0  o 21.378  12.766 10.344   9.4499  21.378  12.766 ?       ?      0.000000       0.000000 
1 1 1 41 9  2  o 20.004  6.5944 -0.0449  4.6113  16.750  8.1470 23.259  10.372 -6.508795      13.18888 
1 1 1 41 9  4  o 35.285  8.8083 25.147   5.4697  35.727  11.898 34.843  12.991 0.8839264      17.61667 
1 1 1 41 9  6  o 25.361  7.8224 11.313   5.2988  25.920  11.157 24.802  10.967 1.117373       15.64488 
1 1 1 41 9  8  o 24.417  5.7966 7.5461   1.9407  21.640  5.9944 27.194  9.9232 -5.553524      11.59323 
1 1 1 41 9  10 f 44.618  3.7662 23.308   2.2123  40.853  6.4080 48.383  3.9591 -7.529499      7.532373 
1 1 1 41 9  12 o 45.161  4.7156 25.619   2.4978  41.007  8.5345 49.315  4.0137 -8.307804      9.431239 
1 1 1 41 10 1  o 24.468  7.1808 8.1457   4.4994  29.396  11.050 19.540  9.1738 9.856054       14.36161 
1 1 1 41 10 3  o 23.821  7.2815 8.6773   4.4904  23.738  10.147 23.905  10.446 -0.1669750     14.56308 
1 1 1 41 10 5  o 21.475  6.9400 4.5566   4.7596  21.783  9.6954 21.167  9.9325 0.6161156      13.88005 
1 1 1 41 10 7  o 17.177  5.9038 -5.0451  4.5253  17.950  8.6738 16.404  8.0115 1.545872       11.80762 
1 1 1 41 10 9  o 46.240  4.9135 25.309   1.9459  47.932  2.6642 44.547  9.4590 3.385742       9.827044 
1 1 1 41 10 11 o 38.197  5.4557 18.986   2.3654  39.878  4.3230 36.516  10.019 3.362064       10.91142 
1 1 1 41 11 0  f 20.290  12.227 9.3222   8.8114  20.290  12.227 ?       ?      0.000000       0.000000 
1 1 1 41 11 2  o 20.358  6.6260 2.7928   4.3724  22.910  10.226 17.806  8.4294 5.104013       13.25210 
1 1 1 41 11 4  o 26.387  8.0914 14.388   5.4493  23.416  10.357 29.359  12.434 -5.943056      16.18277 
1 1 1 41 11 6  o 22.464  7.2348 7.4408   5.0160  22.254  9.8504 22.674  10.599 -0.4201164     14.46954 
1 1 1 41 11 8  o 26.457  7.7001 14.203   4.6667  27.186  10.769 25.728  11.009 1.458143       15.40025 
1 1 1 41 12 1  o 21.676  6.8896 6.2990   4.3724  20.598  9.2765 22.753  10.189 -2.155155      13.77913 
1 1 1 41 12 3  o 33.050  8.1013 21.685   4.6272  32.261  11.323 33.839  11.589 -1.577862      16.20261 
1 1 1 41 12 5  o 31.244  8.7061 23.141   5.5380  29.497  11.463 32.991  13.107 -3.494471      17.41212 
1 1 1 41 13 0  o 19.333  12.085 8.8114   9.3222  19.333  12.085 ?       ?      0.000000       0.000000 
1 1 1 41 13 2  o 19.575  6.6165 1.2650   5.0881  20.252  9.6677 18.899  9.0358 1.353651       13.23292 
1 1 1 42 1  1  o 15.994  5.0630 0.4642   2.3556  16.048  7.2592 15.940  7.0598 0.1086493      10.12606 
1 1 1 42 1  3  o 32.939  5.1019 13.916   2.3556  28.859  8.2264 37.018  6.0369 -8.158976      10.20383 
1 1 1 42 1  5  o 18.649  5.2145 3.4629   2.1634  16.165  7.1598 21.133  7.5830 -4.967278      10.42908 
1 1 1 42 1  7  o 25.319  5.5673 8.6271   2.1180  25.936  8.8343 24.702  6.7774 1.233719       11.13457 
1 1 1 42 1  9  o 34.784  5.0997 15.388   2.3440  36.478  8.0904 33.091  6.2106 3.387520       10.19930 
1 1 1 42 1  11 o 51.202  4.6853 33.033   2.7875  45.113  8.5200 57.291  3.9008 -12.17779      9.370508 
1 1 1 42 2  0  o 15.480  8.8254 4.2141   4.2141  15.480  8.8254 ?       ?      0.000000       0.000000 
1 1 1 42 2  2  o 35.943  4.4251 15.441   2.2024  37.190  6.0090 34.695  6.4975 2.494991       8.850177 
1 1 1 42 2  4  o 46.578  3.1500 23.719   2.0707  48.635  4.4637 44.522  4.4458 4.112667       6.299995 
1 1 1 42 2  6  o 49.863  3.2904 27.930   2.1892  46.272  5.5196 53.454  3.5835 -7.181698      6.580826 
1 1 1 42 2  8  o 59.952  3.0689 40.330   2.3650  55.195  5.3214 64.710  3.0588 -9.515335      6.137883 
1 1 1 42 2  10 o 44.789  4.1187 24.029   2.4894  41.186  6.8213 48.392  4.6180 -7.205944      8.237471 
1 1 1 42 2  12 o 25.920  5.5159 9.6773   2.2566  23.087  8.7125 28.752  6.7670 -5.665340      11.03178 
1 1 1 42 3  1  o 47.275  3.1169 24.483   2.0746  49.301  4.1444 45.250  4.6565 4.051090       6.233716 
1 1 1 42 3  3  o 31.383  4.6702 12.346   1.9500  27.646  8.0559 35.120  4.7269 -7.474745      9.340334 
1 1 1 42 3  5  o 15.158  4.7644 0.4709   2.0352  16.048  7.0460 14.268  6.4150 1.779314       9.528806 
1 1 1 42 3  7  o 33.146  4.9039 13.657   2.1180  32.781  8.3504 33.512  5.1443 -0.7312164     9.807826 
1 1 1 42 3  9  o 26.013  4.9845 9.1141   1.9464  22.392  7.9409 29.634  6.0269 -7.242365      9.969050 
1 1 1 42 3  11 o 17.117  5.1945 2.5263   1.9988  20.059  8.4336 14.175  6.0667 5.883904       10.38894 
1 1 1 42 4  0  o 13.778  7.7452 3.1925   3.1925  13.778  7.7452 ?       ?      0.000000       0.000000 
1 1 1 42 4  2  o 28.384  4.3538 9.7192   1.7507  33.888  5.4640 22.880  6.7799 11.00830       8.707583 
1 1 1 42 4  4  o 30.366  4.0869 10.917   1.6866  31.969  5.8064 28.763  5.7531 3.206905       8.173901 
1 1 1 42 4  6  o 27.178  4.8768 9.4261   1.8398  27.287  7.6500 27.068  6.0506 0.2187538      9.753558 
1 1 1 42 4  8  o 16.392  4.8016 2.4375   1.7251  17.731  7.4455 15.053  6.0651 2.677836       9.603164 
1 1 1 42 4  10 o 18.801  5.1033 4.2309   1.7585  20.068  8.1399 17.534  6.1577 2.534237       10.20662 
1 1 1 42 5  1  o 27.394  3.7641 8.7475   1.4047  26.806  5.4299 27.982  5.2144 -1.176056      7.528144 
1 1 1 42 5  3  o 15.853  4.1233 1.8211   1.4575  11.814  5.5118 19.892  6.1341 -8.078332      8.246642 
1 1 1 42 5  5  o 27.705  4.0879 9.1580   1.5324  26.456  6.7378 28.955  4.6308 -2.499617      8.175742 
1 1 1 42 5  7  o 28.173  3.9849 9.7212   1.5218  23.282  6.7430 33.064  4.2484 -9.782640      7.969765 
1 1 1 42 5  9  o 26.942  4.6941 9.5040   1.7921  30.636  4.7936 23.249  8.0721 7.387096       9.388170 
1 1 1 42 6  0  o 34.082  3.6325 12.387   2.4263  34.082  3.6325 ?       ?      0.000000       0.000000 
1 1 1 42 6  2  o 23.870  3.5320 6.5887   1.1804  27.912  4.3463 19.827  5.5686 8.085051       7.063970 
1 1 1 42 6  4  o 24.588  4.3189 7.3985   1.4835  22.606  5.8777 26.570  6.3295 -3.964706      8.637701 
1 1 1 42 6  6  o 32.362  3.1817 11.357   1.3508  31.143  3.4854 33.581  5.3239 -2.437347      6.363318 
1 1 1 42 6  8  o 30.435  3.1951 10.074   1.3126  28.543  3.8029 32.326  5.1355 -3.783354      6.390233 
1 1 1 42 7  1  o 14.849  3.8200 2.2754   1.0448  16.838  5.7158 12.860  5.0693 3.978055       7.639901 
1 1 1 42 7  3  o 27.775  4.0984 9.4681   1.5324  24.328  6.9819 31.223  4.2944 -6.895544      8.196888 
1 1 1 42 7  5  o 39.593  4.0904 18.759   2.0813  36.884  7.0046 42.301  4.2264 -5.416988      8.180854 
1 1 1 42 7  7  o 37.450  4.5164 17.600   2.0507  33.420  8.0977 41.481  4.0021 -8.060589      9.032744 
1 1 1 42 8  0  o 11.850  8.4639 -5.4911  8.1729  11.850  8.4639 ?       ?      0.000000       0.000000 
1 1 1 42 8  2  o 20.163  6.6393 2.4031   4.5008  16.779  8.0844 23.546  10.534 -6.766716      13.27859 
1 1 1 42 8  4  o 21.701  6.8091 6.4276   4.2567  22.770  9.6637 20.632  9.5952 2.138685       13.61819 
1 1 1 42 8  6  o 24.843  4.5067 7.7131   1.5324  25.757  7.1745 23.929  5.4559 1.828087       9.013313 
1 1 1 42 9  1  o 18.253  6.2458 -5.1624  5.1593  15.556  7.8273 20.950  9.7352 -5.394278      12.49166 
1 1 1 42 9  3  o 23.769  7.5421 10.747   5.3769  22.734  10.659 24.803  10.673 -2.068092      15.08420 
1 1 1 43 1  0  o 8.8897  6.2642 -2.8094  4.0864  8.8897  6.2642 ?       ?      0.000000       0.000000 
1 1 1 43 1  2  o 20.624  5.4190 5.7637   2.1385  22.120  7.7238 19.128  7.6029 2.992157       10.83798 
# 
#END OF REFLECTIONS
