data_r4pdlsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2014-07-09 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4pdl 
_cell.length_a      68.1060 
_cell.length_b      68.1060 
_cell.length_c      89.5930 
_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   1.0000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.701 
_diffrn_reflns.pdbx_d_res_low    34.053 
_diffrn_reflns.limit_h_max       40 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       40 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       52 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            22434 
_diffrn_reflns.pdbx_number_obs   22434 
# 
_entry.id   4pdl 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4pdl 
_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 903.076 10.127 8152.19  129.228 918.994 14.505 887.159 14.134 31.83551       20.25311 
1 1 1 0  0  10 o 261.814 3.3617 678.365  12.303  277.799 5.0085 245.828 4.4856 31.97084       6.723494 
1 1 1 0  0  12 o 1246.88 19.627 15568.09 489.454 ?       ?      1246.88 19.627 ?              ?        
1 1 1 0  0  14 o 352.750 4.3638 1244.39  21.750  351.688 6.0246 353.812 6.3148 -2.123810      8.727648 
1 1 1 0  0  16 o 1167.45 13.004 13643.14 214.385 1150.38 17.941 1184.52 18.828 -34.14490      26.00729 
1 1 1 0  0  18 o 621.458 7.3112 3863.34  64.255  621.206 10.381 621.709 10.298 -0.5031128     14.62250 
1 1 1 0  0  20 o 1439.46 16.077 20750.55 327.212 1423.13 22.657 1455.80 22.815 -32.66455      32.15323 
1 1 1 0  0  22 o 196.758 2.9602 381.603  8.0942  210.091 4.4792 183.424 3.8714 26.66768       5.920369 
1 1 1 0  0  24 o 177.782 3.2931 316.510  8.2299  175.930 4.9551 179.635 4.3387 -3.704605      6.586192 
1 1 1 0  0  26 o 1000.33 11.231 10031.22 158.876 993.736 15.918 1006.92 15.848 -13.18323      22.46194 
1 1 1 0  0  28 o 28.164  5.7096 8.0055   2.5158  24.011  9.1575 32.316  6.8218 -8.304995      11.41915 
1 1 1 0  0  30 o 285.110 3.8246 812.528  15.372  288.179 5.6294 282.041 5.1788 6.138184       7.649190 
1 1 1 0  0  32 o 181.221 3.1627 327.342  7.9770  184.553 4.8800 177.888 4.0243 6.664185       6.325341 
1 1 1 0  0  34 o 225.230 3.4063 506.504  10.817  231.281 4.9674 219.180 4.6622 12.10091       6.812615 
1 1 1 0  0  36 o 58.521  4.1642 34.814   3.3751  52.699  6.5731 64.344  5.1143 -11.64553      8.328370 
1 1 1 0  0  38 o 51.662  5.9637 26.848   3.9688  53.111  10.040 50.213  6.4386 2.897892       11.92739 
1 1 1 0  0  40 o 126.000 3.5412 158.802  6.0619  126.688 5.7419 125.311 4.1464 1.377197       7.082481 
1 1 1 0  0  42 o 86.183  4.3383 73.156   4.9018  89.959  7.2519 82.407  4.7639 7.551514       8.676697 
1 1 1 0  0  44 o 35.303  8.5113 11.602   4.8689  36.601  13.400 34.006  10.498 2.594757       17.02254 
1 1 1 0  0  46 o 26.254  8.0994 -0.4144  4.9480  29.331  13.047 23.178  9.6010 6.153446       16.19877 
1 1 1 0  0  48 o 31.023  8.6228 6.0718   5.3664  36.818  13.619 25.229  10.580 11.58943       17.24560 
1 1 1 0  0  50 o 41.947  8.9037 20.216   5.6782  41.771  13.220 42.123  11.930 -0.3521156     17.80743 
1 1 1 0  0  52 o 33.778  8.9208 12.011   5.5667  38.367  13.786 29.189  11.326 9.178658       17.84165 
1 1 1 0  1  3  o 479.285 3.2227 2293.34  21.799  492.258 4.6560 466.312 4.4570 25.94595       6.445441 
1 1 1 0  1  5  o 444.797 2.5836 1978.70  16.252  446.030 3.6501 443.564 3.6574 2.465881       5.167160 
1 1 1 0  1  7  o 818.619 4.6043 6694.65  53.223  836.102 6.6425 801.137 6.3776 34.96509       9.208524 
1 1 1 0  1  9  o 606.209 3.5116 3673.32  30.081  598.161 4.8837 614.258 5.0471 -16.09766      7.023107 
1 1 1 0  1  11 o 348.912 2.1527 1217.07  10.618  344.859 3.0134 352.965 3.0750 -8.106110      4.305337 
1 1 1 0  1  13 o 490.013 2.9117 2401.82  20.177  488.995 4.1204 491.032 4.1151 -2.037811      5.823359 
1 1 1 0  1  15 o 553.951 3.2683 3070.31  25.604  553.264 4.6226 554.639 4.6216 -1.374878      6.536659 
1 1 1 0  1  17 o 665.139 3.8391 4426.19  36.112  662.310 5.4480 667.968 5.4105 -5.658752      7.678170 
1 1 1 0  1  19 o 999.465 5.5774 9996.15  78.830  1000.57 7.9279 998.364 7.8471 2.203674       11.15478 
1 1 1 0  1  21 o 992.891 5.6037 9863.29  78.648  982.090 7.8302 1003.69 8.0183 -21.60199      11.20735 
1 1 1 0  1  23 o 131.741 1.2589 173.949  2.3349  128.761 1.8831 134.721 1.6713 -5.960571      2.517813 
1 1 1 0  1  25 o 273.434 1.8362 747.323  7.0936  277.127 2.6457 269.741 2.5469 7.385529       3.672428 
1 1 1 0  1  27 o 58.058  1.7516 34.485   1.3471  54.675  2.9566 61.442  1.8793 -6.766994      3.503290 
1 1 1 0  1  29 f 302.281 2.0614 913.653  8.7768  304.210 3.0554 300.352 2.7679 3.857483       4.122731 
1 1 1 0  1  31 o 241.489 1.7920 581.222  6.0755  248.159 2.6754 234.820 2.3848 13.33974       3.584002 
1 1 1 0  1  33 o 133.556 1.6839 178.307  3.1585  132.525 2.2217 134.586 2.5309 -2.061188      3.367701 
1 1 1 0  1  35 o 199.264 1.6861 397.792  4.7087  198.005 2.5658 200.522 2.1881 -2.517532      3.372131 
1 1 1 0  1  37 o 101.764 1.6955 104.660  2.3538  98.568  2.7528 104.959 1.9802 -6.390350      3.391036 
1 1 1 0  1  39 o 31.995  4.6452 12.451   1.9801  21.630  8.5305 42.361  3.6797 -20.73177      9.290332 
1 1 1 0  1  41 o 18.262  5.3761 0.9734   2.1982  20.124  8.3117 16.400  6.8210 3.724068       10.75221 
1 1 1 0  1  43 o 154.478 1.8800 238.063  3.8557  156.982 3.1260 151.973 2.0894 5.008774       3.759957 
1 1 1 0  1  45 o 73.067  2.7031 52.681   2.5980  77.183  4.4879 68.950  3.0143 8.233078       5.406267 
1 1 1 0  1  47 o 14.579  4.9272 -5.2491  2.3664  18.713  8.4109 10.444  5.1346 8.268250       9.854322 
1 1 1 0  1  49 o 20.224  5.8510 2.7473   2.6426  19.933  8.8139 20.515  7.6975 -0.5820160     11.70199 
1 1 1 0  1  51 o 30.582  6.1031 12.225   2.6509  31.695  9.6774 29.470  7.4390 2.225128       12.20615 
1 1 1 0  2  0  o 104.824 1.1569 109.922  2.4248  104.824 1.1569 ?       ?      0.000000       0.000000 
1 1 1 0  2  2  o 334.850 2.2498 1123.77  10.611  342.843 2.9974 326.858 3.3559 15.98529       4.499628 
1 1 1 0  2  4  o 407.972 2.6144 1660.84  14.884  403.110 3.3513 412.834 4.0135 -9.724213      5.228712 
1 1 1 0  2  6  o 805.166 5.3110 6485.88  60.474  805.029 7.5300 805.303 7.4916 -0.2742310     10.62195 
1 1 1 0  2  8  o 564.813 3.2994 3190.61  26.355  565.477 4.6759 564.149 4.6563 1.328308       6.598874 
1 1 1 0  2  10 o 220.106 1.4652 484.450  4.5601  220.814 2.0916 219.398 2.0525 1.416153       2.930461 
1 1 1 0  2  12 o 465.487 2.7845 2167.24  18.330  462.213 3.9470 468.761 3.9288 -6.547546      5.569012 
1 1 1 0  2  14 o 162.756 1.1914 264.883  2.7420  161.284 1.6824 164.228 1.6874 -2.943924      2.382788 
1 1 1 0  2  16 o 489.312 2.8866 2395.00  19.974  490.933 4.1041 487.691 4.0604 3.241669       5.773280 
1 1 1 0  2  18 f 732.913 4.1830 5373.45  43.354  727.607 5.9112 738.220 5.9201 -10.61365      8.366020 
1 1 1 0  2  20 o 639.277 3.6720 4088.27  33.194  638.485 5.2354 640.069 5.1502 -1.583496      7.343979 
1 1 1 0  2  22 o 276.328 1.7947 763.082  7.0087  270.740 2.5162 281.916 2.5598 -11.17578      3.589429 
1 1 1 0  2  24 o 206.352 1.5059 426.185  4.3808  204.546 2.2297 208.157 2.0247 -3.610962      3.011804 
1 1 1 0  2  26 o 230.887 1.6985 533.295  5.5369  230.336 2.4814 231.439 2.3199 -1.103500      3.396919 
1 1 1 0  2  28 o 183.346 1.5662 332.747  3.9225  189.525 2.4978 177.168 1.8900 12.35736       3.132307 
1 1 1 0  2  30 o 237.173 1.9366 564.911  6.3687  233.264 3.0442 241.083 2.3947 -7.818787      3.873235 
1 1 1 0  2  32 f 118.152 1.4598 139.069  2.3753  120.048 2.3084 116.255 1.7878 3.792915       2.919693 
1 1 1 0  2  34 o 76.007  1.7492 57.599   1.8545  77.519  2.6811 74.496  2.2474 3.023140       3.498468 
1 1 1 0  2  36 o 171.258 1.5887 293.549  3.8216  171.331 2.3924 171.185 2.0910 0.1468811      3.177397 
1 1 1 0  2  38 o 83.943  1.9386 69.963   2.1982  86.110  3.1511 81.775  2.2592 4.334602       3.877273 
1 1 1 0  2  40 o 23.991  5.0673 5.8656   1.8012  24.086  8.0001 23.896  6.2214 0.1901455      10.13453 
1 1 1 0  2  42 f 27.289  5.8832 7.5106   2.3200  30.007  9.3736 24.571  7.1123 5.435621       11.76646 
1 1 1 0  2  44 o 60.577  3.0603 36.853   2.4261  61.545  5.1592 59.608  3.2930 1.937023       6.120589 
1 1 1 0  2  46 o 20.834  5.9855 1.8259   2.8719  19.245  8.6060 22.424  8.3210 -3.178818      11.97090 
1 1 1 0  2  48 o 16.933  5.5055 -1.9629  2.6751  19.511  8.8598 14.354  6.5381 5.156964       11.01102 
1 1 1 0  2  50 o 18.092  5.4747 0.0011   2.7369  16.161  7.7622 20.023  7.7225 -3.862309      10.94937 
1 1 1 0  2  52 o 17.773  5.6885 0.4990   3.0530  17.650  8.5160 17.896  7.5442 -0.2462425     11.37706 
1 1 1 0  3  1  o 466.044 3.9269 2172.35  36.602  ?       ?      466.044 3.9269 ?              ?        
1 1 1 0  3  3  o 428.255 2.6067 1832.72  15.775  436.888 3.7265 419.622 3.6459 17.26529       5.213375 
1 1 1 0  3  5  o 709.065 4.0789 5028.43  40.896  713.911 5.8063 704.219 5.7304 9.691895       8.157887 
1 1 1 0  3  7  o 537.521 3.3168 2868.25  24.208  525.544 3.9108 549.498 5.3583 -23.95410      6.633615 
1 1 1 0  3  9  o 385.036 2.3802 1482.63  12.960  386.100 3.3793 383.972 3.3529 2.128632       4.760441 
1 1 1 0  3  11 o 325.347 2.0452 1058.47  9.4089  321.754 2.8888 328.940 2.8959 -7.185730      4.090433 
1 1 1 0  3  13 o 173.996 1.2781 301.869  3.1334  179.221 1.8684 168.770 1.7446 10.45038       2.556232 
1 1 1 0  3  15 o 787.786 4.4746 6212.31  49.851  785.740 6.3262 789.832 6.3300 -4.092041      8.949267 
1 1 1 0  3  17 o 477.362 2.7879 2279.03  18.818  479.453 3.9736 475.271 3.9114 4.181976       5.575737 
1 1 1 0  3  19 o 427.473 2.5732 1824.90  15.535  413.200 3.6187 441.746 3.6594 -28.54541      5.146474 
1 1 1 0  3  21 o 86.403  1.1508 75.504   1.3832  80.122  1.8014 92.684  1.4327 -12.56197      2.301631 
1 1 1 0  3  23 o 244.023 1.6478 595.142  5.6795  246.801 2.3860 241.244 2.2735 5.557495       3.295697 
1 1 1 0  3  25 o 130.745 1.2529 171.269  2.3035  128.712 1.8839 132.777 1.6523 -4.063965      2.505774 
1 1 1 0  3  27 o 200.505 1.5391 401.516  4.3357  202.718 2.3068 198.291 2.0380 4.427460       3.078146 
1 1 1 0  3  29 o 315.207 2.0732 994.524  9.2357  311.926 2.9984 318.487 2.8641 -6.561829      4.146447 
1 1 1 0  3  31 o 166.566 1.7048 276.535  3.9773  170.456 2.5741 162.675 2.2358 7.781036       3.409509 
1 1 1 0  3  33 o 73.281  1.6495 54.332   1.6424  70.675  2.6957 75.888  1.9019 -5.213295      3.299078 
1 1 1 0  3  35 o 59.701  2.4437 37.064   1.9357  53.113  4.1305 66.289  2.6127 -13.17643      4.887476 
1 1 1 0  3  37 o 82.892  1.9007 69.479   2.1695  79.742  3.0407 86.041  2.2813 -6.299088      3.801398 
1 1 1 0  3  39 o 68.268  2.3081 45.624   2.1144  72.579  3.7386 63.958  2.7080 8.621113       4.616283 
1 1 1 0  3  41 o 95.538  1.9494 92.029   2.5518  93.893  3.1358 97.183  2.3168 -3.289963      3.898861 
1 1 1 0  3  43 f 69.086  2.7449 48.527   2.4697  67.899  4.6765 70.272  2.8754 -2.373795      5.489780 
1 1 1 0  3  45 o 16.879  5.2256 -0.6158  2.2352  19.998  8.3862 13.760  6.2369 6.237394       10.45121 
1 1 1 0  3  47 o 45.928  4.5013 21.708   2.7643  48.909  7.3185 42.946  5.2427 5.962463       9.002618 
1 1 1 0  3  49 o 18.201  5.7259 -0.6836  2.6603  23.570  9.7123 12.832  6.0674 10.73772       11.45172 
1 1 1 0  3  51 o 22.162  6.1876 5.6155   2.6751  23.489  9.7424 20.834  7.6309 2.654734       12.37519 
1 1 1 0  4  2  f 408.244 2.5647 1671.91  14.557  414.245 3.2055 402.243 4.0044 12.00146       5.129318 
1 1 1 0  4  4  o 538.745 3.2052 2902.55  24.417  533.790 4.5209 543.700 4.5447 -9.910217      6.410355 
1 1 1 0  4  6  o 301.669 1.9012 909.888  8.1088  304.109 2.7147 299.229 2.6625 4.879547       3.802467 
1 1 1 0  4  8  o 328.246 2.2921 1075.49  10.462  325.330 2.8926 331.163 3.5564 -5.833191      4.584182 
1 1 1 0  4  10 o 566.652 3.4520 3215.69  26.919  569.184 4.1789 564.119 5.4957 5.065430       6.904053 
1 1 1 0  4  12 f 33.924  1.0836 11.367   0.5132  37.838  1.5258 30.010  1.5390 7.828077       2.167166 
1 1 1 0  4  14 o 512.161 2.9969 2623.88  21.704  507.520 4.2203 516.802 4.2562 -9.282104      5.993807 
1 1 1 0  4  16 o 771.583 4.3754 5956.76  47.739  775.371 6.2247 767.794 6.1507 7.576294       8.750883 
1 1 1 0  4  18 o 511.167 3.0308 2613.33  21.908  515.113 4.2813 507.220 4.2911 7.893341       6.061599 
1 1 1 0  4  20 o 515.261 3.0188 2655.72  21.995  513.507 4.3060 517.015 4.2321 -3.508362      6.037548 
1 1 1 0  4  22 o 131.125 1.2132 171.172  2.2382  136.298 1.7790 125.952 1.6501 10.34550       2.426477 
1 1 1 0  4  24 o 176.893 1.3726 311.762  3.4154  182.472 2.0249 171.313 1.8535 11.15889       2.745112 
1 1 1 0  4  26 o 225.918 1.7350 512.005  5.4879  221.672 2.6565 230.164 2.2324 -8.491867      3.469944 
1 1 1 0  4  28 o 378.012 2.4138 1429.88  12.900  378.825 3.4594 377.199 3.3672 1.625610       4.827617 
1 1 1 0  4  30 o 121.148 1.3519 146.844  2.2963  120.978 2.0520 121.317 1.7608 -0.3391724     2.703888 
1 1 1 0  4  32 o 277.417 2.0426 768.964  7.9308  280.562 3.1072 274.271 2.6522 6.292053       4.085199 
1 1 1 0  4  34 o 94.188  1.5320 89.069   1.9942  92.894  2.4238 95.483  1.8744 -2.589081      3.064000 
1 1 1 0  4  36 o 56.949  2.3815 32.482   1.8772  57.086  3.7419 56.812  2.9470 0.2742958      4.763016 
1 1 1 0  4  38 o 24.232  5.2414 5.8502   2.0527  21.162  7.9891 27.303  6.7872 -6.140991      10.48290 
1 1 1 0  4  40 o 143.838 1.6351 206.342  3.2772  147.156 2.5108 140.520 2.0953 6.636459       3.270279 
1 1 1 0  4  42 o 60.171  2.8019 36.619   2.2580  59.735  4.6391 60.607  3.1435 -0.8721352     5.603773 
1 1 1 0  4  44 o 47.695  3.6386 23.032   2.3368  48.488  5.9532 46.901  4.1852 1.586643       7.277136 
1 1 1 0  4  46 o 58.634  3.3459 34.832   2.6942  61.512  5.2559 55.755  4.1418 5.756317       6.691745 
1 1 1 0  4  48 o 26.310  6.3318 7.2955   2.4471  30.222  10.473 22.398  7.1187 7.824512       12.66365 
1 1 1 0  4  50 f 24.607  6.2823 6.9660   2.5497  28.743  10.137 20.470  7.4238 8.272573       12.56464 
1 1 1 0  4  52 o 20.044  6.5360 3.4495   2.9989  23.996  11.117 16.093  6.8762 7.902699       13.07199 
1 1 1 0  5  1  o 1071.61 10.410 11571.63 152.719 1049.04 16.780 1094.19 12.325 -45.14978      20.82008 
1 1 1 0  5  3  o 1266.14 12.253 16098.24 210.142 1273.89 14.158 1258.40 20.003 15.49011       24.50613 
1 1 1 0  5  5  o 1196.99 11.575 14224.31 185.181 1224.48 19.076 1169.49 13.116 54.99243       23.15038 
1 1 1 0  5  7  o 994.047 6.5031 9887.60  91.411  991.620 9.1347 996.474 9.2583 -4.854614      13.00611 
1 1 1 0  5  9  o 509.240 3.3687 2592.51  23.935  507.774 4.2977 510.707 5.1887 -2.932861      6.737462 
1 1 1 0  5  11 o 397.888 2.5406 1583.45  13.839  397.871 3.0327 397.905 4.0770 -0.3414917E-01 5.081267 
1 1 1 0  5  13 o 603.801 3.6013 3650.90  29.992  605.675 4.3942 601.927 5.7068 3.748047       7.202531 
1 1 1 0  5  15 o 109.053 1.1647 118.928  2.5402  109.053 1.1647 ?       ?      ?              ?        
1 1 1 0  5  17 o 460.496 2.7564 2118.18  17.923  451.002 3.8147 469.989 3.9799 -18.98685      5.512853 
1 1 1 0  5  19 o 1002.19 5.6575 10047.91 80.148  1015.03 8.0823 989.352 7.9186 25.67712       11.31492 
1 1 1 0  5  21 o 569.209 3.3307 3236.79  26.764  580.519 4.8233 557.899 4.5946 22.61957       6.661409 
1 1 1 0  5  23 o 332.063 2.0844 1103.08  9.7835  330.410 3.0053 333.716 2.8891 -3.305389      4.168793 
1 1 1 0  5  25 o 274.458 2.0325 753.130  7.7684  275.143 3.1474 273.773 2.5727 1.370270       4.065073 
1 1 1 0  5  27 o 202.166 1.5851 408.359  4.5230  205.262 2.3063 199.070 2.1751 6.192017       3.170195 
1 1 1 0  5  29 o 258.156 1.9795 666.426  7.1870  256.835 2.6300 259.477 2.9592 -2.641357      3.958976 
1 1 1 0  5  31 o 37.679  3.4205 15.287   1.5423  33.212  6.1414 42.147  3.0136 -8.934818      6.840925 
1 1 1 0  5  33 o 22.956  4.5886 4.8236   1.6026  29.889  6.8959 16.022  6.0553 13.86670       9.177160 
1 1 1 0  5  35 o 85.277  2.0627 73.217   2.4125  83.636  3.3134 86.918  2.4576 -3.282356      4.125303 
1 1 1 0  5  37 o 197.981 1.7349 391.834  4.8158  200.390 2.6217 195.572 2.2730 4.818344       3.469868 
1 1 1 0  5  39 f 74.233  2.2028 53.798   2.1924  79.396  3.5630 69.071  2.5911 10.32560       4.405545 
1 1 1 0  5  41 o 112.806 1.7485 127.480  2.7279  113.352 2.7503 112.260 2.1599 1.091728       3.497091 
1 1 1 0  5  43 o 51.504  3.2223 25.444   2.1966  58.268  5.1522 44.739  3.8713 13.52906       6.444502 
1 1 1 0  5  45 o 67.875  3.1464 49.852   2.6737  59.141  5.5642 76.609  2.9390 -17.46714      6.292708 
1 1 1 0  5  47 o 38.019  5.0983 15.509   2.5038  39.553  8.5616 36.486  5.5382 3.067783       10.19668 
1 1 1 0  5  49 o 34.243  5.5385 14.054   2.4436  32.592  9.7226 35.895  5.3076 -3.303257      11.07697 
1 1 1 0  5  51 o 34.347  6.3473 16.099   3.0470  31.150  10.783 37.544  6.6996 -6.393429      12.69464 
1 1 1 0  6  0  o 884.372 7.1623 7824.11  126.665 884.372 7.1623 ?       ?      0.000000       0.000000 
1 1 1 0  6  2  o 252.141 1.7896 635.877  6.3793  256.628 2.4971 247.653 2.5643 8.975464       3.579268 
1 1 1 0  6  4  o 731.219 4.5634 5352.79  46.853  735.627 5.9802 726.811 6.8947 8.815857       9.126894 
1 1 1 0  6  6  o 352.956 2.2380 1245.76  11.169  354.763 3.1896 351.149 3.1402 3.614044       4.475996 
1 1 1 0  6  8  o 579.327 3.4036 3357.15  27.884  579.597 4.7911 579.057 4.8355 0.5394897      6.807110 
1 1 1 0  6  10 o 187.669 1.5092 352.348  3.9425  187.994 1.9040 187.345 2.3420 0.6487579      3.018322 
1 1 1 0  6  12 o 459.269 3.0009 2105.27  19.211  453.935 3.8282 464.604 4.6225 -10.66937      6.001888 
1 1 1 0  6  14 o 201.410 1.4518 406.692  4.0470  203.505 1.7872 199.316 2.2883 4.189178       2.903510 
1 1 1 0  6  16 o 421.984 2.6887 1771.14  15.452  414.684 3.1881 429.284 4.3304 -14.60022      5.377427 
1 1 1 0  6  18 o 406.830 3.0794 1655.30  25.056  406.830 3.0794 ?       ?      ?              ?        
1 1 1 0  6  20 o 132.188 1.2870 174.449  2.3677  131.118 1.6291 133.257 1.9929 -2.138672      2.574056 
1 1 1 0  6  22 o 234.596 1.6182 549.081  5.3468  239.971 2.3817 229.220 2.1912 10.75046       3.236378 
1 1 1 0  6  24 o 291.525 2.1396 851.453  8.7111  289.051 3.2956 293.999 2.7295 -4.948273      4.279140 
1 1 1 0  6  26 o 123.622 1.4410 152.505  2.4845  125.067 2.2157 122.177 1.8429 2.890388       2.881950 
1 1 1 0  6  28 o 93.793  1.5012 87.874   1.9880  91.733  2.0769 95.854  2.1683 -4.121483      3.002454 
1 1 1 0  6  30 o 131.737 1.3677 173.937  2.5350  129.412 2.0521 134.061 1.8087 -4.649429      2.735425 
1 1 1 0  6  32 o 140.402 1.4165 197.793  2.7926  137.191 2.1462 143.613 1.8492 -6.421783      2.832936 
1 1 1 0  6  34 o 167.595 1.5716 280.071  3.6967  171.787 2.3525 163.403 2.0845 8.383469       3.143165 
1 1 1 0  6  36 o 46.559  2.8250 21.916   1.7631  45.600  4.6844 47.518  3.1589 -1.917068      5.649960 
1 1 1 0  6  38 o 145.756 1.6865 212.478  3.4293  146.842 2.5949 144.670 2.1549 2.171692       3.372983 
1 1 1 0  6  40 o 37.625  3.5921 14.248   1.8772  38.343  5.5710 36.908  4.5363 1.435501       7.184279 
1 1 1 0  6  42 o 74.745  2.3636 55.863   2.3310  75.904  3.9551 73.587  2.5890 2.316872       4.727154 
1 1 1 0  6  44 o 29.836  5.5790 9.1217   2.2873  35.229  8.5877 24.444  7.1242 10.78502       11.15809 
1 1 1 0  6  46 o 56.572  3.4856 32.586   2.5058  57.670  6.0065 55.474  3.5384 2.196232       6.971267 
1 1 1 0  6  48 o 66.319  2.9699 45.272   2.7122  67.715  4.6892 64.924  3.6458 2.790321       5.939754 
1 1 1 0  6  50 o 20.583  6.0458 3.5276   2.5273  25.365  10.023 15.800  6.7634 9.565179       12.09151 
1 1 1 0  6  52 o 25.145  8.4975 8.7753   5.0804  ?       ?      25.145  8.4975 ?              ?        
1 1 1 0  7  3  o 494.724 3.1453 2461.31  21.532  506.478 3.8528 482.971 4.9727 23.50699       6.290596 
1 1 1 0  7  5  o 533.308 3.2184 2842.75  24.258  544.357 4.5816 522.258 4.5212 22.09937       6.436829 
1 1 1 0  7  7  o 348.351 2.2037 1213.78  10.851  347.190 3.1760 349.512 3.0558 -2.321625      4.407412 
1 1 1 0  7  9  o 697.868 4.0188 4872.75  39.660  698.110 5.7227 697.627 5.6439 0.4827271      8.037601 
1 1 1 0  7  11 o 199.868 1.4092 399.296  3.9802  197.544 1.9581 202.193 2.0273 -4.649429      2.818489 
1 1 1 0  7  13 o 273.133 1.7936 746.063  6.9260  273.893 2.5716 272.372 2.5011 1.520538       3.587290 
1 1 1 0  7  15 f 130.537 1.1403 170.955  2.0383  131.997 1.3559 129.077 1.8338 2.920181       2.280622 
1 1 1 0  7  17 o 374.829 2.3880 1400.80  12.276  370.801 2.8804 378.858 3.8096 -8.056213      4.775968 
1 1 1 0  7  19 o 274.725 1.8556 755.982  7.0801  276.693 2.3160 272.757 2.8998 3.935272       3.711151 
1 1 1 0  7  21 o 197.604 1.8114 390.501  7.1588  197.604 1.8114 ?       ?      ?              ?        
1 1 1 0  7  23 o 89.119  1.4078 80.258   1.6839  91.680  1.5743 86.558  2.3344 5.121300       2.815652 
1 1 1 0  7  25 o 336.511 2.3404 1132.66  11.059  335.922 3.0763 337.100 3.5280 -1.178589      4.680868 
1 1 1 0  7  27 o 309.015 2.2426 956.386  9.7753  312.730 3.0276 305.301 3.3092 7.429626       4.485226 
1 1 1 0  7  29 o 54.867  1.9895 30.326   1.5294  51.289  3.0392 58.445  2.5683 -7.156460      3.979048 
1 1 1 0  7  31 o 46.016  2.5064 21.649   1.5829  41.433  4.0408 50.600  2.9665 -9.166573      5.012831 
1 1 1 0  7  33 o 91.688  1.5803 83.657   2.0296  94.861  2.3735 88.515  2.0871 6.346039       3.160662 
1 1 1 0  7  35 o 103.494 1.5417 107.124  2.2382  104.017 2.3311 102.971 2.0184 1.045769       3.083500 
1 1 1 0  7  37 o 128.065 1.6198 163.432  2.8512  130.335 2.5691 125.794 1.9735 4.541702       3.239585 
1 1 1 0  7  39 o 83.626  1.8810 68.700   2.1383  88.729  2.9930 78.524  2.2792 10.20476       3.762044 
1 1 1 0  7  41 o 23.201  5.2021 4.1631   1.9328  31.751  8.4105 14.652  6.1245 17.09977       10.40412 
1 1 1 0  7  43 f 66.299  2.5663 44.203   2.2769  66.713  4.2404 65.884  2.8917 0.8285141      5.132518 
1 1 1 0  7  45 o 42.175  4.1301 17.394   2.2892  47.572  6.6747 36.777  4.8663 10.79488       8.260293 
1 1 1 0  7  47 o 39.217  5.7743 17.666   2.6942  36.727  10.483 41.707  4.8448 -4.980198      11.54860 
1 1 1 0  7  49 o 28.849  6.4243 10.491   2.7316  29.327  10.582 28.372  7.2878 0.9545994      12.84854 
1 1 1 0  7  51 o 29.226  6.7713 11.864   3.0922  35.680  10.670 22.771  8.3399 12.90818       13.54264 
1 1 1 0  8  0  o 1272.30 11.796 16202.80 300.092 1272.30 11.796 ?       ?      0.000000       0.000000 
1 1 1 0  8  2  o 994.382 5.7800 9889.28  81.218  982.091 8.0359 1006.67 8.3100 -24.58197      11.55990 
1 1 1 0  8  4  o 1218.91 7.4442 14868.60 127.186 1214.39 9.7030 1223.44 11.292 -9.053711      14.88832 
1 1 1 0  8  6  o 694.845 4.1006 4828.62  40.276  687.438 5.7276 702.253 5.8698 -14.81549      8.201193 
1 1 1 0  8  8  f 466.383 2.8495 2175.86  18.788  465.607 4.0918 467.158 3.9670 -1.551025      5.699091 
1 1 1 0  8  10 o 436.394 2.6477 1904.48  16.325  438.936 3.8275 433.851 3.6594 5.084930       5.295344 
1 1 1 0  8  12 o 291.152 1.8998 847.501  7.8175  288.407 2.6423 293.897 2.7305 -5.490082      3.799653 
1 1 1 0  8  14 o 421.641 2.5462 1777.65  15.178  417.795 3.5651 425.487 3.6364 -7.692291      5.092472 
1 1 1 0  8  16 o 949.855 5.5653 9017.62  72.514  945.908 6.6954 953.802 8.8916 -7.894165      11.13058 
1 1 1 0  8  18 o 820.486 4.8742 6713.99  54.867  811.041 5.8868 829.931 7.7702 -18.88947      9.748343 
1 1 1 0  8  20 o 222.224 1.6721 495.828  5.0314  224.826 1.9259 219.622 2.7339 5.203690       3.344111 
1 1 1 0  8  22 o 501.314 3.0852 2512.44  21.255  499.898 3.7303 502.730 4.9151 -2.831207      6.170301 
1 1 1 0  8  24 o 58.829  1.8060 35.055   1.3602  60.305  1.8190 57.354  3.1205 2.950878       3.611905 
1 1 1 0  8  26 o 268.516 1.9715 722.667  7.3107  270.540 2.4114 266.492 3.1196 4.048401       3.942911 
1 1 1 0  8  28 o 283.301 2.0843 805.553  8.2938  290.280 2.7247 276.323 3.1549 13.95764       4.168598 
1 1 1 0  8  30 o 217.767 1.9323 477.667  5.6658  221.721 2.1872 213.813 3.1862 7.908813       3.864648 
1 1 1 0  8  32 o 161.827 1.8658 258.829  3.9131  157.623 1.9778 166.032 3.1642 -8.408478      3.731526 
1 1 1 0  8  34 o 35.909  4.2151 14.833   1.8403  45.284  3.5697 26.534  7.6371 18.74921       8.430222 
1 1 1 0  8  36 o 89.810  2.1819 80.154   2.7279  86.077  2.8170 93.543  3.3328 -7.465942      4.363778 
1 1 1 0  8  38 o 98.294  2.1215 96.943   2.9398  99.185  2.8521 97.403  3.1414 1.781921       4.242990 
1 1 1 0  8  40 o 15.112  4.8140 -2.2862  2.1338  17.536  7.5711 12.689  5.9478 4.847619       9.627986 
1 1 1 0  8  42 o 49.729  3.7053 25.187   2.5864  49.438  5.6053 50.020  4.8475 -0.5819321     7.410648 
1 1 1 0  8  44 o 22.409  5.8180 3.7426   2.6356  18.711  8.1706 26.108  8.2847 -7.397228      11.63592 
1 1 1 0  8  46 o 61.314  3.4800 38.818   2.9621  61.729  5.4245 60.899  4.3608 0.8295174      6.959996 
1 1 1 0  8  48 o 23.749  6.5846 5.4596   3.2753  22.630  9.9105 24.867  8.6724 -2.236969      13.16919 
1 1 1 0  8  50 o 23.360  6.2645 6.1672   2.8527  28.759  9.9165 17.961  7.6574 10.79819       12.52891 
1 1 1 0  9  1  o 1187.41 6.7986 14108.77 114.040 1174.15 9.4012 1200.68 9.8234 -26.52417      13.59711 
1 1 1 0  9  3  o 1357.00 9.4458 18445.28 172.919 1354.02 10.839 1359.98 15.473 -5.966064      18.89169 
1 1 1 0  9  5  o 818.357 4.9629 6693.17  56.000  814.087 6.0705 822.627 7.8532 -8.539978      9.925877 
1 1 1 0  9  7  o 490.172 2.9692 2403.64  20.581  491.898 4.1665 488.446 4.2314 3.452423       5.938403 
1 1 1 0  9  9  o 422.202 2.6156 1783.21  15.616  423.003 3.6714 421.402 3.7264 1.601471       5.231167 
1 1 1 0  9  11 o 265.523 1.7989 705.142  6.7547  264.219 2.5565 266.828 2.5315 -2.609161      3.597765 
1 1 1 0  9  13 o 293.702 1.9385 861.547  8.0411  286.509 2.7001 300.896 2.7821 -14.38644      3.876951 
1 1 1 0  9  15 o 896.531 5.1197 8035.65  64.844  882.073 7.1079 910.989 7.3703 -28.91577      10.23935 
1 1 1 0  9  17 o 264.043 1.9894 699.430  7.3609  269.654 2.5692 258.434 3.0381 11.22009       3.978821 
1 1 1 0  9  19 o 449.362 2.8707 2006.11  17.572  439.807 3.4130 458.916 4.6169 -19.10922      5.741436 
1 1 1 0  9  21 o 208.293 1.5790 426.750  4.4100  199.290 1.8250 217.295 2.5772 -18.00516      3.157929 
1 1 1 0  9  23 o 212.099 1.6560 452.278  4.8393  216.391 2.0010 207.807 2.6393 8.584595       3.312041 
1 1 1 0  9  25 o 249.854 1.8416 626.682  6.3428  253.296 2.2337 246.412 2.9286 6.883438       3.683234 
1 1 1 0  9  27 o 198.545 1.6431 395.742  4.4878  201.172 1.9802 195.919 2.6226 5.253540       3.286200 
1 1 1 0  9  29 o 241.739 1.9508 585.230  6.5890  242.710 2.4976 240.768 2.9973 1.942078       3.901505 
1 1 1 0  9  31 o 183.570 1.7063 339.411  4.2745  187.551 2.0008 179.589 2.7646 7.962234       3.412701 
1 1 1 0  9  33 o 58.774  2.4297 34.952   1.9813  61.778  2.9905 55.770  3.8302 6.007362       4.859323 
1 1 1 0  9  35 o 51.388  2.8661 26.336   2.0639  46.124  4.1305 56.651  3.9744 -10.52717      5.732099 
1 1 1 0  9  37 o 23.792  4.8884 5.5320   1.9302  29.269  6.4837 18.315  7.3176 10.95467       9.776788 
1 1 1 0  9  39 o 62.709  2.5863 39.514   2.2508  62.519  3.2320 62.899  4.0386 -0.3806496     5.172622 
1 1 1 0  9  41 f 37.063  4.5746 15.132   2.2133  44.644  4.6555 29.482  7.8763 15.16139       9.149299 
1 1 1 0  9  43 o 36.745  4.6041 14.297   2.2963  38.878  5.4944 34.613  7.3894 4.265041       9.208193 
1 1 1 0  9  45 o 20.154  5.5939 1.9875   2.5532  23.512  8.1887 16.796  7.6232 6.715675       11.18786 
1 1 1 0  9  47 o 35.618  5.3200 14.479   2.5864  34.459  7.2638 36.778  7.7746 -2.319767      10.63992 
1 1 1 0  9  49 o 19.205  5.4707 3.2856   2.1982  17.736  7.0249 20.675  8.3883 -2.939054      10.94138 
1 1 1 0  9  51 o 16.867  5.2053 1.5615   2.2873  16.516  6.8421 17.217  7.8464 -0.7014408     10.41055 
1 1 1 0  10 0  o 241.591 2.6293 583.904  12.701  241.591 2.6293 ?       ?      0.000000       0.000000 
1 1 1 0  10 2  f 530.022 3.2387 2809.14  24.258  534.798 4.6635 525.246 4.4955 9.552612       6.477495 
1 1 1 0  10 4  o 333.117 2.3229 1106.38  10.519  329.880 2.7302 336.355 3.7589 -6.475311      4.645791 
1 1 1 0  10 6  o 480.272 3.1017 2313.09  20.488  484.489 3.7417 476.055 4.9479 8.434814       6.203375 
1 1 1 0  10 8  o 373.133 2.2865 1392.38  12.064  377.511 3.2421 368.756 3.2251 8.754425       4.573031 
1 1 1 0  10 10 o 329.880 2.0978 1088.11  9.7787  328.053 2.9037 331.708 3.0284 -3.654785      4.195583 
1 1 1 0  10 12 o 575.514 3.4080 3310.91  27.715  567.103 4.7440 583.926 4.8940 -16.82257      6.815925 
1 1 1 0  10 14 o 323.162 2.0843 1043.90  9.5171  326.493 3.0060 319.831 2.8881 6.661591       4.168646 
1 1 1 0  10 16 o 301.079 1.9661 905.740  8.3568  305.104 2.8572 297.053 2.7015 8.050934       3.932142 
1 1 1 0  10 18 o 650.345 3.7877 4228.26  34.805  661.457 5.4376 639.233 5.2744 22.22424       7.575384 
1 1 1 0  10 20 o 235.434 1.7609 550.748  5.5186  231.628 1.9690 239.239 2.9199 -7.611771      3.521803 
1 1 1 0  10 22 o 90.031  1.3923 79.691   1.6809  86.026  1.6106 94.036  2.2716 -8.009850      2.784633 
1 1 1 0  10 24 o 26.803  3.8573 8.1691   1.2990  32.407  3.2067 21.199  7.0166 11.20790       7.714627 
1 1 1 0  10 26 o 120.125 1.5332 145.573  2.3650  122.176 1.5594 118.074 2.6403 4.102760       3.066431 
1 1 1 0  10 28 o 91.912  1.5996 84.330   1.9808  91.354  1.8327 92.470  2.6222 -1.115562      3.199185 
1 1 1 0  10 30 o 143.219 1.5368 204.214  3.0107  140.854 1.8444 145.584 2.4587 -4.729828      3.073584 
1 1 1 0  10 32 f 123.587 1.5936 152.428  2.7279  122.151 1.9851 125.024 2.4936 -2.873154      3.187201 
1 1 1 0  10 34 o 115.839 1.6871 134.130  2.6909  115.184 2.0550 116.495 2.6761 -1.310623      3.374111 
1 1 1 0  10 36 o 70.058  2.2181 49.021   2.1695  68.555  2.8633 71.562  3.3883 -3.006950      4.436121 
1 1 1 0  10 38 o 126.411 1.7278 161.120  3.0424  130.611 2.1659 122.212 2.6927 8.399025       3.455646 
1 1 1 0  10 40 o 26.731  5.3844 7.5582   2.1221  26.559  7.2075 26.903  8.0014 -0.3435192     10.76890 
1 1 1 0  10 42 o 46.059  3.6628 21.592   2.3318  46.157  4.5028 45.960  5.7783 0.1971741      7.325535 
1 1 1 0  10 44 o 24.470  5.7401 6.1624   2.3378  26.208  8.1639 22.732  8.0712 3.476646       11.48011 
1 1 1 0  10 46 o 20.813  5.5833 3.0727   2.4533  16.615  7.3571 25.010  8.4004 -8.394873      11.16663 
1 1 1 0  10 48 o 29.404  5.6435 10.797   2.6544  22.109  8.5757 36.699  7.3384 -14.59043      11.28691 
1 1 1 0  10 50 o 19.511  6.0739 0.6336   3.5390  16.256  7.8266 22.766  9.2905 -6.509529      12.14782 
1 1 1 0  11 1  o 145.772 1.2604 212.486  2.5967  145.356 1.7476 146.188 1.8166 -0.8311920     2.520751 
1 1 1 0  11 3  o 261.003 1.9838 682.721  7.3021  269.984 2.6730 252.021 2.9322 17.96220       3.967666 
1 1 1 0  11 5  f 385.920 2.5763 1484.49  13.606  381.288 3.0888 390.552 4.1242 -9.264587      5.152698 
1 1 1 0  11 7  o 217.354 1.6914 470.523  4.8860  215.142 1.8784 219.567 2.8134 -4.424561      3.382874 
1 1 1 0  11 9  o 355.015 2.4069 1260.43  12.026  354.636 3.2070 355.393 3.5901 -0.7568970     4.813892 
1 1 1 0  11 11 o 707.029 4.0792 5000.81  40.788  706.430 5.7615 707.629 5.7763 -1.199097      8.158465 
1 1 1 0  11 13 o 616.114 3.5613 3796.34  31.023  621.555 5.0714 610.673 5.0011 10.88251       7.122539 
1 1 1 0  11 15 o 385.813 2.3489 1488.04  12.807  390.001 3.3751 381.624 3.2677 8.376587       4.697761 
1 1 1 0  11 17 o 384.132 2.4332 1474.41  13.205  376.342 3.3902 391.922 3.4911 -15.57947      4.866382 
1 1 1 0  11 19 o 516.824 3.1072 2667.88  22.673  503.056 4.3151 530.592 4.4720 -27.53638      6.214392 
1 1 1 0  11 21 o 273.892 1.9753 749.553  7.3686  272.935 2.3268 274.848 3.1928 -1.913116      3.950658 
1 1 1 0  11 23 o 478.492 3.2939 2292.29  22.284  482.513 4.5945 474.472 4.7211 8.040741       6.587729 
1 1 1 0  11 25 o 223.892 1.8268 502.172  5.6804  225.282 2.2808 222.503 2.8541 2.779861       3.653502 
1 1 1 0  11 27 o 98.778  2.7222 94.311   2.3406  95.679  1.5688 101.878 5.2135 -6.199226      5.444401 
1 1 1 0  11 29 o 95.653  1.6041 91.807   2.0799  96.448  1.8556 94.858  2.6171 1.589798       3.208160 
1 1 1 0  11 31 o 159.694 1.6486 254.047  3.6047  157.219 1.9829 162.168 2.6344 -4.948853      3.297297 
1 1 1 0  11 33 o 127.212 1.7072 164.444  2.9621  133.990 1.9820 120.435 2.7803 13.55433       3.414452 
1 1 1 0  11 35 o 96.014  1.8434 92.779   2.3772  97.247  2.0778 94.781  3.0456 2.465637       3.686845 
1 1 1 0  11 37 o 70.414  2.3193 50.547   2.2146  74.132  2.6478 66.695  3.8087 7.437027       4.638672 
1 1 1 0  11 39 o 69.420  2.2617 48.054   2.2043  64.131  3.1508 74.710  3.2456 -10.57885      4.523395 
1 1 1 0  11 41 o 17.550  5.3201 -1.0718  2.4261  13.623  6.3851 21.477  8.5115 -7.854521      10.64026 
1 1 1 0  11 43 o 60.037  2.7507 36.307   2.3093  57.067  3.6420 63.007  4.1232 -5.940456      5.501375 
1 1 1 0  11 45 o 16.284  5.1306 -1.8406  2.4451  13.696  6.4494 18.872  7.9810 -5.175927      10.26119 
1 1 1 0  11 47 o 17.371  5.4905 -0.6702  2.7926  18.064  7.8628 16.679  7.6655 1.385143       10.98100 
1 1 1 0  11 49 o 23.059  6.2011 6.6350   2.7997  22.593  8.6864 23.526  8.8521 -0.9331036     12.40212 
1 1 1 0  12 0  o 74.386  1.7095 55.423   2.5402  74.386  1.7095 ?       ?      0.000000       0.000000 
1 1 1 0  12 2  o 233.456 1.7128 543.532  5.6366  226.125 2.3489 240.786 2.4936 -14.66064      3.425642 
1 1 1 0  12 4  o 805.787 4.8204 6485.91  53.503  799.688 5.8838 811.887 7.6371 -12.19855      9.640738 
1 1 1 0  12 6  o 459.069 2.9663 2094.93  18.582  449.929 3.5415 468.209 4.7596 -18.27924      5.932571 
1 1 1 0  12 8  o 550.862 3.4960 3028.65  26.030  547.349 4.0397 554.375 5.7068 -7.025330      6.991963 
1 1 1 0  12 10 o 679.784 4.3257 4622.76  41.181  679.611 5.6066 679.957 6.5887 -0.3455811     8.651315 
1 1 1 0  12 12 o 757.028 4.3842 5733.55  46.932  756.121 6.1464 757.936 6.2536 -1.815552      8.768471 
1 1 1 0  12 14 o 980.835 5.5315 9628.92  76.726  983.390 7.7787 978.281 7.8666 5.108398       11.06307 
1 1 1 0  12 16 o 811.734 4.6488 6589.85  53.323  798.953 6.4745 824.516 6.6729 -25.56219      9.297646 
1 1 1 0  12 18 o 498.866 2.9951 2489.78  21.130  495.430 4.2533 502.303 4.2181 -6.872955      5.990280 
1 1 1 0  12 20 o 192.665 1.8223 369.939  4.9321  197.845 2.7138 187.486 2.4326 10.35977       3.644500 
1 1 1 0  12 22 o 155.939 1.5462 243.347  3.2280  156.150 1.7377 155.729 2.5580 0.4200897      3.092392 
1 1 1 0  12 24 o 233.791 1.8364 547.875  5.8045  235.117 2.1117 232.466 3.0050 2.651154       3.672786 
1 1 1 0  12 26 o 92.342  1.8197 84.665   1.9614  91.358  1.5798 93.326  3.2786 -1.967468      3.639412 
1 1 1 0  12 28 o 49.483  2.2623 25.351   1.4455  53.169  2.2802 45.796  3.9080 7.373135       4.524568 
1 1 1 0  12 30 o 106.959 1.5273 114.436  2.2187  106.836 1.7833 107.081 2.4801 -0.2454834     3.054626 
1 1 1 0  12 32 o 46.458  2.7029 22.159   1.6439  49.089  2.8226 43.828  4.6104 5.261417       5.405813 
1 1 1 0  12 34 o 77.002  1.9092 58.792   2.0383  73.611  2.4313 80.394  2.9443 -6.782547      3.818385 
1 1 1 0  12 36 o 34.603  4.5663 12.173   2.0999  30.842  6.0175 38.364  6.8698 -7.522606      9.132609 
1 1 1 0  12 38 o 46.422  3.3295 21.337   2.1391  42.393  4.3579 50.450  5.0351 -8.057869      6.659087 
1 1 1 0  12 40 o 47.391  3.3298 22.631   2.1773  46.209  4.1229 48.572  5.2298 -2.362335      6.659533 
1 1 1 0  12 42 o 57.028  2.9394 33.607   2.2963  61.894  3.4512 52.162  4.7592 9.731850       5.878868 
1 1 1 0  12 44 o 25.385  5.5887 6.7251   2.3656  20.341  7.9069 30.429  7.9003 -10.08806      11.17742 
1 1 1 0  12 46 o 38.952  5.2742 17.242   2.7926  37.268  7.3885 40.635  7.5286 -3.366718      10.54846 
1 1 1 0  12 48 o 36.092  5.2594 15.929   2.6544  28.499  8.4889 43.684  6.2114 -15.18491      10.51870 
1 1 1 0  12 50 o 23.904  7.0510 8.3185   3.9626  26.249  10.577 21.559  9.3274 4.690113       14.10202 
1 1 1 0  13 1  o 822.856 4.8023 6774.69  55.876  830.581 6.8118 815.131 6.7709 15.44916       9.604506 
1 1 1 0  13 3  o 556.417 3.7105 3094.76  28.938  553.617 4.8387 559.217 5.6265 -5.599487      7.420908 
1 1 1 0  13 5  o 681.656 4.2128 4650.36  39.523  682.661 5.1080 680.651 6.7007 2.009583       8.425631 
1 1 1 0  13 7  o 678.279 4.1476 4588.83  38.406  671.830 4.9325 684.729 6.6692 -12.89899      8.295109 
1 1 1 0  13 9  f 497.483 3.1089 2472.39  21.323  495.148 3.8010 499.818 4.9206 -4.670837      6.217712 
1 1 1 0  13 11 o 122.182 1.2685 149.550  2.1184  122.892 1.5033 121.473 2.0437 1.419022       2.537023 
1 1 1 0  13 13 o 470.252 2.7997 2211.92  18.619  469.067 3.9755 471.437 3.9432 -2.369843      5.599397 
1 1 1 0  13 15 o 284.981 2.0940 808.769  8.3399  278.180 2.7187 291.782 3.1856 -13.60278      4.187987 
1 1 1 0  13 17 o 381.209 2.3988 1453.49  12.930  379.764 3.3597 382.654 3.4248 -2.889679      4.797587 
1 1 1 0  13 19 o 260.213 1.9556 675.633  7.1365  264.433 2.9474 255.993 2.5710 8.440002       3.911131 
1 1 1 0  13 21 o 204.217 1.8097 417.158  5.2208  204.356 2.6273 204.077 2.4895 0.2792358      3.619434 
1 1 1 0  13 23 o 42.724  4.1870 22.159   1.5115  50.736  2.0482 34.711  8.1197 16.02489       8.374087 
1 1 1 0  13 25 o 46.870  2.6370 22.139   1.5468  47.438  2.5557 46.302  4.6134 1.136013       5.274034 
1 1 1 0  13 27 o 35.178  3.4270 13.412   1.4211  39.460  2.9261 30.896  6.1979 8.564123       6.853926 
1 1 1 0  13 29 o 88.696  1.6958 79.106   1.9998  89.751  1.8654 87.640  2.8326 2.110954       3.391660 
1 1 1 0  13 31 o 186.455 1.7114 347.548  4.2984  185.807 1.9575 187.103 2.8079 -1.296219      3.422851 
1 1 1 0  13 33 o 111.883 1.6739 124.147  2.5351  108.790 1.9635 114.976 2.7115 -6.185944      3.347755 
1 1 1 0  13 35 o 86.428  1.9466 74.109   2.2980  83.654  2.3465 89.203  3.1066 -5.549202      3.893152 
1 1 1 0  13 37 o 148.730 1.6801 222.011  3.5065  150.092 2.1925 147.368 2.5464 2.724518       3.360243 
1 1 1 0  13 39 o 21.520  5.6463 3.6142   2.3176  22.589  7.4697 20.451  8.4692 2.137100       11.29267 
1 1 1 0  13 41 o 53.666  3.7227 29.010   2.5980  52.326  3.9719 55.005  6.2975 -2.678749      7.445456 
1 1 1 0  13 43 o 25.378  5.9565 6.4634   2.5298  20.694  7.8662 30.062  8.9468 -9.368210      11.91309 
1 1 1 0  13 45 o 25.553  5.5995 6.8201   2.5864  32.010  7.6649 19.096  8.1650 12.91448       11.19904 
1 1 1 0  13 47 o 32.584  6.0514 13.858   2.9845  38.595  7.1495 26.573  9.7655 12.02187       12.10287 
1 1 1 0  13 49 o 24.987  6.7166 7.8747   3.8796  18.724  8.7784 31.251  10.168 -12.52694      13.43311 
1 1 1 0  14 0  o 496.767 4.4286 2468.63  43.992  496.767 4.4286 ?       ?      0.000000       0.000000 
1 1 1 0  14 2  o 394.643 2.6072 1556.07  14.516  389.767 3.5549 399.519 3.8149 -9.751892      5.214476 
1 1 1 0  14 4  o 1011.62 5.9313 10242.01 82.899  1011.84 7.2862 1011.40 9.3613 0.4326782      11.86268 
1 1 1 0  14 6  o 951.132 5.6913 9052.02  74.536  950.704 6.9167 951.560 9.0400 -0.8555298     11.38254 
1 1 1 0  14 8  o 754.023 4.5161 5684.45  46.937  752.026 5.5120 756.019 7.1553 -3.992859      9.032172 
1 1 1 0  14 10 o 211.402 1.6992 447.807  4.9272  212.851 2.0342 209.952 2.7223 2.899384       3.398384 
1 1 1 0  14 12 o 181.576 1.4497 331.567  3.6867  189.096 1.8624 174.056 2.2223 15.04027       2.899500 
1 1 1 0  14 14 o 54.872  1.9338 30.074   1.4988  56.345  2.7665 53.399  2.7029 2.945225       3.867678 
1 1 1 0  14 16 o 102.920 1.4223 103.078  1.9998  112.230 2.2120 93.611  1.7885 18.61884       2.844568 
1 1 1 0  14 18 o 344.643 2.2568 1188.35  10.998  340.665 3.2199 348.621 3.1630 -7.956177      4.513581 
1 1 1 0  14 20 o 425.926 2.7794 1814.94  16.735  422.076 3.8846 429.776 3.9762 -7.699463      5.558804 
1 1 1 0  14 22 o 37.878  2.7984 15.485   1.3414  30.558  4.9121 45.197  2.6824 -14.63879      5.596760 
1 1 1 0  14 24 o 107.426 1.4984 116.982  2.1773  111.812 1.7039 103.041 2.4653 8.770729       2.996799 
1 1 1 0  14 26 o 31.607  3.8020 10.276   1.3856  32.216  3.2256 30.997  6.8860 1.219439       7.604096 
1 1 1 0  14 28 o 247.924 2.0014 614.782  6.7354  247.260 2.3349 248.589 3.2514 -1.328964      4.002878 
1 1 1 0  14 30 o 212.588 1.8619 452.783  5.2652  213.028 2.0597 212.148 3.1023 0.8800201      3.723783 
1 1 1 0  14 32 o 67.854  2.3019 44.764   2.0419  63.431  2.5484 72.277  3.8341 -8.845604      4.603754 
1 1 1 0  14 34 o 47.788  3.2643 22.884   1.9801  47.499  3.2817 48.077  5.6439 -0.5774918     6.528671 
1 1 1 0  14 36 o 117.873 1.7577 137.917  2.8329  114.125 2.1247 121.621 2.8007 -7.496407      3.515385 
1 1 1 0  14 38 o 37.591  4.3846 14.664   2.2146  37.999  5.1656 37.184  7.0862 0.8153534      8.769135 
1 1 1 0  14 40 o 29.839  5.0838 9.6335   2.1221  31.992  6.3615 27.685  7.9317 4.306879       10.16759 
1 1 1 0  14 42 o 18.584  5.5712 0.6798   2.5143  18.379  7.5134 18.789  8.2280 -0.4106236     11.14231 
1 1 1 0  14 44 o 27.626  5.5730 7.7116   2.7024  18.054  7.7714 37.198  7.9899 -19.14452      11.14602 
1 1 1 0  14 46 o 19.791  5.7213 3.1578   2.5688  18.202  7.8012 21.380  8.3710 -3.178064      11.44256 
1 1 1 0  14 48 o 19.734  6.0658 2.5274   3.0106  17.075  7.5494 22.393  9.4963 -5.317572      12.13152 
1 1 1 0  15 1  o 229.476 1.7253 525.391  5.5786  234.872 2.5318 224.081 2.3445 10.79082       3.450613 
1 1 1 0  15 3  o 317.694 2.2303 1000.86  9.5862  309.951 2.6077 325.438 3.6189 -15.48627      4.460571 
1 1 1 0  15 5  o 182.074 1.5416 334.054  3.9046  189.463 1.9197 174.685 2.4126 14.77763       3.083168 
1 1 1 0  15 7  o 81.988  1.7145 67.605   1.9357  83.784  2.0672 80.192  2.7357 3.592720       3.428908 
1 1 1 0  15 9  o 217.602 1.6065 474.415  4.8522  219.421 1.9996 215.783 2.5150 3.638412       3.213031 
1 1 1 0  15 11 o 307.944 2.1098 949.611  8.9234  309.292 2.5386 306.596 3.3706 2.695587       4.219614 
1 1 1 0  15 13 o 84.296  1.5055 71.117   1.7823  84.742  1.9757 83.851  2.2721 0.8915024      3.010938 
1 1 1 0  15 15 o 428.966 3.0024 1840.93  18.211  426.311 4.2117 431.620 4.2802 -5.309021      6.004865 
1 1 1 0  15 17 f 552.669 3.7601 3057.65  29.377  553.661 5.4014 551.677 5.2324 1.983948       7.520187 
1 1 1 0  15 19 o 162.047 1.5388 262.860  3.5179  163.723 2.0805 160.371 2.2679 3.351425       3.077652 
1 1 1 0  15 21 o 183.489 1.6770 336.589  4.2807  184.048 2.6035 182.930 2.1145 1.118286       3.354043 
1 1 1 0  15 23 o 425.134 2.6996 1810.14  16.218  428.212 3.7211 422.056 3.9121 6.156403       5.399194 
1 1 1 0  15 25 o 185.484 1.6526 345.517  4.1778  187.680 1.9379 183.288 2.6773 4.392471       3.305111 
1 1 1 0  15 27 o 41.792  2.8255 16.269   1.4752  36.575  2.9991 47.010  4.7896 -10.43469      5.651066 
1 1 1 0  15 29 o 146.764 1.5030 216.105  3.0431  148.271 1.8300 145.256 2.3847 3.014694       3.005971 
1 1 1 0  15 31 o 45.409  2.7123 20.368   1.6627  43.467  3.1876 47.350  4.3893 -3.883121      5.424697 
1 1 1 0  15 33 o 78.333  2.0441 60.325   2.0574  75.398  2.1440 81.268  3.4809 -5.869934      4.088225 
1 1 1 0  15 35 o 122.091 1.7454 148.879  2.8720  120.958 2.0046 123.225 2.8579 -2.266380      3.490881 
1 1 1 0  15 37 o 72.698  2.5088 52.899   2.4339  71.686  2.8187 73.710  4.1511 -2.024292      5.017691 
1 1 1 0  15 39 o 18.573  5.7948 -0.3040  2.4035  14.391  6.3062 22.755  9.7237 -8.364153      11.58953 
1 1 1 0  15 41 o 77.456  2.4681 61.117   2.5942  78.983  2.8507 75.928  4.0299 3.055374       4.936220 
1 1 1 0  15 43 f 53.576  3.6645 29.582   2.6326  52.494  4.1792 54.657  6.0207 -2.162777      7.329028 
1 1 1 0  15 45 o 17.444  5.3190 0.7443   2.3788  15.607  6.9448 19.282  8.0584 -3.674845      10.63806 
1 1 1 0  15 47 o 23.718  6.1643 6.8879   2.8677  26.141  8.1681 21.296  9.2344 4.845371       12.32854 
1 1 1 0  16 0  o 788.867 6.7047 6226.43  105.766 788.867 6.7047 ?       ?      0.000000       0.000000 
1 1 1 0  16 2  o 823.287 4.8345 6781.88  56.283  817.543 6.8145 829.032 6.8594 -11.48920      9.668950 
1 1 1 0  16 4  o 416.584 2.7493 1722.91  15.611  406.850 3.2779 426.318 4.4147 -19.46762      5.498585 
1 1 1 0  16 6  o 493.733 3.0951 2432.69  21.019  489.469 3.7626 497.997 4.9154 -8.528229      6.190147 
1 1 1 0  16 8  o 479.463 3.0252 2297.12  19.981  477.487 3.6877 481.439 4.7966 -3.952148      6.050377 
1 1 1 0  16 10 o 260.436 2.0168 679.367  7.0721  261.476 2.2963 259.397 3.3162 2.078857       4.033603 
1 1 1 0  16 12 o 205.418 1.6947 417.680  4.6924  199.578 1.9670 211.258 2.7601 -11.67999      3.389325 
1 1 1 0  16 14 o 63.241  2.1302 40.008   1.9052  63.378  3.0060 63.104  3.0191 0.2738686      4.260407 
1 1 1 0  16 16 o 225.957 2.0514 510.549  6.5423  227.116 2.9995 224.798 2.7993 2.318817       4.102852 
1 1 1 0  16 18 o 207.242 1.5558 428.844  4.5492  211.878 2.2616 202.607 2.1371 9.271225       3.111586 
1 1 1 0  16 20 o 107.498 1.8642 115.753  2.8289  111.231 2.5433 103.766 2.7262 7.465027       3.728321 
1 1 1 0  16 22 o 92.034  1.5762 84.605   2.0393  93.160  2.3549 90.908  2.0957 2.252823       3.152385 
1 1 1 0  16 24 o 91.524  1.6950 83.827   2.1938  91.903  2.3871 91.146  2.4069 0.7569427      3.389943 
1 1 1 0  16 26 o 215.807 1.8537 465.376  5.4661  214.621 2.2058 216.993 2.9798 -2.371994      3.707391 
1 1 1 0  16 28 o 189.500 1.7653 360.864  4.5167  191.678 2.0180 187.322 2.8971 4.355789       3.530623 
1 1 1 0  16 30 o 75.983  1.9951 56.839   1.9645  73.318  2.1260 78.648  3.3767 -5.330345      3.990227 
1 1 1 0  16 32 o 50.563  2.7980 26.646   1.7764  54.206  2.6626 46.919  4.9219 7.286816       5.595916 
1 1 1 0  16 34 o 88.146  1.9665 77.323   2.3368  86.356  2.2730 89.936  3.2096 -3.580231      3.933003 
1 1 1 0  16 36 o 49.411  3.4357 25.616   2.2362  54.395  3.6086 44.428  5.8476 9.967716       6.871418 
1 1 1 0  16 38 o 69.473  2.3609 47.498   2.1924  65.470  2.7336 73.476  3.8501 -8.006096      4.721818 
1 1 1 0  16 40 o 33.176  5.2446 12.219   2.3962  37.741  5.5069 28.611  8.9274 9.130215       10.48927 
1 1 1 0  16 42 o 41.115  4.2888 18.158   2.2580  43.087  4.4217 39.144  7.3502 3.942841       8.577701 
1 1 1 0  16 44 o 45.685  4.1592 22.609   2.5884  47.966  4.8144 43.405  6.7835 4.561291       8.318336 
1 1 1 0  16 46 o 27.552  6.3938 9.8099   2.7931  23.934  8.2027 31.170  9.8102 -7.235958      12.78766 
1 1 1 0  16 48 o 16.369  5.5491 -4.8844  3.7235  14.564  7.1734 18.174  8.4682 -3.609301      11.09812 
1 1 1 0  17 1  o 332.908 2.2562 1108.08  10.618  336.730 3.2233 329.085 3.1578 7.644989       4.512315 
1 1 1 0  17 3  o 484.834 3.0091 2350.41  20.114  484.005 3.6738 485.663 4.7668 -1.657867      6.018268 
1 1 1 0  17 5  o 394.514 2.7532 1561.22  14.737  397.841 3.1925 391.186 4.4865 6.655548       5.506441 
1 1 1 0  17 7  o 335.697 2.3320 1123.61  10.696  332.193 2.7807 339.200 3.7444 -7.006866      4.663993 
1 1 1 0  17 9  o 369.290 2.5443 1356.34  12.590  363.740 2.8887 374.840 4.1893 -11.10062      5.088686 
1 1 1 0  17 11 o 300.933 2.3819 906.306  10.131  304.781 3.2959 297.086 3.4396 7.694946       4.763850 
1 1 1 0  17 13 o 116.842 1.8855 134.911  2.8757  113.811 2.0291 119.873 3.1786 -6.062103      3.771036 
1 1 1 0  17 15 o 474.512 3.2566 2257.50  21.574  478.846 4.1475 470.177 5.0220 8.668518       6.513239 
1 1 1 0  17 17 o 295.413 2.1394 872.866  8.7038  295.081 2.6021 295.745 3.3967 -0.6632385     4.278823 
1 1 1 0  17 19 o 84.033  2.3923 71.552   2.6083  86.280  2.4758 81.786  4.0942 4.494148       4.784566 
1 1 1 0  17 21 f 87.413  1.6575 76.068   2.0393  93.222  2.3533 81.604  2.3347 11.61817       3.314939 
1 1 1 0  17 23 o 148.704 1.5233 220.956  3.1976  151.612 2.2086 145.796 2.0987 5.815567       3.046693 
1 1 1 0  17 25 o 202.162 1.6660 408.358  4.7487  205.737 2.4413 198.587 2.2676 7.150391       3.331962 
1 1 1 0  17 27 o 41.389  3.5921 16.659   2.0404  34.584  5.0079 48.194  5.1511 -13.60925      7.184213 
1 1 1 0  17 29 o 63.111  2.5458 40.371   1.9952  64.344  2.4226 61.878  4.4784 2.465366       5.091648 
1 1 1 0  17 31 o 98.751  1.8196 96.810   2.3200  96.956  1.9054 100.547 3.1006 -3.590614      3.639281 
1 1 1 0  17 33 o 140.922 1.6810 198.040  3.2290  138.895 1.9951 142.948 2.7059 -4.052597      3.361933 
1 1 1 0  17 35 o 19.040  5.2395 2.3922   1.9320  17.966  6.6058 20.115  8.1346 -2.148157      10.47895 
1 1 1 0  17 37 o 22.604  5.7094 4.4598   2.1924  19.250  7.0782 25.957  8.9604 -6.706285      11.41885 
1 1 1 0  17 39 o 25.484  4.5009 5.8229   2.2187  35.369  5.3865 15.598  7.2123 19.77119       9.001759 
1 1 1 0  17 41 o 36.776  4.8912 14.274   2.4553  31.201  7.0168 42.350  6.8160 -11.14916      9.782309 
1 1 1 0  17 43 o 22.315  5.9899 4.2873   2.5540  17.595  7.3273 27.036  9.4777 -9.440840      11.97983 
1 1 1 0  17 45 o 19.378  5.5694 2.1518   2.5192  14.907  6.8250 23.849  8.8031 -8.941782      11.13888 
1 1 1 0  17 47 o 15.051  4.9649 -1.7941  2.6113  14.947  6.9036 15.156  7.1372 -0.2094107     9.929739 
1 1 1 0  18 0  o 46.912  3.6111 22.400   3.3485  46.912  3.6111 ?       ?      0.000000       0.000000 
1 1 1 0  18 2  o 158.212 1.7031 251.021  3.7442  160.239 2.1257 156.184 2.6614 4.054764       3.406141 
1 1 1 0  18 4  o 423.342 2.7330 1784.39  15.881  416.363 3.3139 430.322 4.3468 -13.95923      5.465979 
1 1 1 0  18 6  o 355.770 2.5161 1273.77  12.245  363.177 2.9726 348.362 4.0603 14.81540       5.032126 
1 1 1 0  18 8  o 350.012 2.5023 1223.30  12.247  346.250 3.2347 353.775 3.8186 -7.525574      5.004507 
1 1 1 0  18 10 o 472.347 3.1432 2228.20  20.794  466.378 4.0974 478.316 4.7676 -11.93835      6.286407 
1 1 1 0  18 12 f 343.473 2.4073 1182.82  11.388  346.267 2.9177 340.679 3.8299 5.588989       4.814659 
1 1 1 0  18 14 o 293.451 2.2730 862.015  9.3749  294.621 2.9981 292.281 3.4172 2.340210       4.545940 
1 1 1 0  18 16 o 179.077 1.5987 323.715  3.9300  185.225 1.9013 172.929 2.5706 12.29601       3.197364 
1 1 1 0  18 18 o 277.801 2.3989 781.650  8.9147  286.787 2.6573 268.814 3.9947 17.97278       4.797738 
1 1 1 0  18 20 o 198.585 1.7820 397.064  4.7741  202.194 2.0273 194.977 2.9314 7.217133       3.564094 
1 1 1 0  18 22 o 125.507 1.6776 157.793  2.9707  123.779 2.4720 127.234 2.2687 -3.455414      3.355284 
1 1 1 0  18 24 o 246.854 1.8609 609.989  6.4917  246.766 2.5735 246.942 2.6886 -0.1757050     3.721749 
1 1 1 0  18 26 o 181.888 1.5599 331.098  4.0122  182.032 2.1884 181.745 2.2236 0.2877350      3.119826 
1 1 1 0  18 28 o 97.190  1.9777 94.695   2.7085  96.322  2.9369 98.058  2.6494 -1.736397      3.955356 
1 1 1 0  18 30 o 71.228  2.3831 48.918   2.1291  66.356  2.4361 76.100  4.0966 -9.743912      4.766219 
1 1 1 0  18 32 o 81.068  2.1304 65.455   2.2703  79.838  2.3140 82.298  3.5777 -2.459084      4.260783 
1 1 1 0  18 34 o 25.957  5.0195 6.9629   1.8614  23.031  6.6485 28.884  7.5220 -5.852930      10.03909 
1 1 1 0  18 36 o 50.966  3.0958 24.554   2.0384  43.861  3.5539 58.071  5.0702 -14.20989      6.191698 
1 1 1 0  18 38 o 59.758  2.7472 36.118   2.1982  59.793  3.0897 59.723  4.5433 0.7052612E-01  5.494377 
1 1 1 0  18 40 o 18.256  5.8625 -0.7193  2.5106  14.751  6.3841 21.761  9.8346 -7.009511      11.72501 
1 1 1 0  18 42 o 50.440  3.7977 27.072   2.5351  52.134  4.0973 48.746  6.3955 3.387882       7.595445 
1 1 1 0  18 44 o 22.452  5.8472 5.2007   2.6509  25.311  7.8545 19.592  8.6641 5.719145       11.69450 
1 1 1 0  18 46 f 15.088  5.0006 -2.9308  2.7122  13.795  6.6273 16.382  7.4902 -2.587643      10.00127 
1 1 1 0  19 1  o 219.822 1.7562 483.109  5.4433  220.896 2.5874 218.747 2.3753 2.148987       3.512369 
1 1 1 0  19 3  o 529.249 3.4507 2812.94  25.159  536.161 4.1779 522.336 5.4932 13.82544       6.901436 
1 1 1 0  19 5  o 306.222 2.1591 941.546  9.1681  311.352 2.6701 301.093 3.3938 10.25967       4.318296 
1 1 1 0  19 7  o 51.537  2.5727 26.267   1.8545  46.331  3.6137 56.743  3.6628 -10.41221      5.145325 
1 1 1 0  19 9  f 162.676 1.6672 264.966  3.7675  163.443 2.0840 161.909 2.6030 1.534119       3.334476 
1 1 1 0  19 11 o 374.842 2.7006 1405.88  13.709  374.740 3.1274 374.944 4.4037 -0.2043762     5.401228 
1 1 1 0  19 13 o 287.497 2.1627 827.498  8.7510  289.101 2.8756 285.892 3.2310 3.209167       4.325337 
1 1 1 0  19 15 o 385.124 2.6850 1483.79  14.120  384.410 3.1839 385.837 4.3243 -1.427582      5.369963 
1 1 1 0  19 17 o 234.909 2.2040 552.800  6.8441  235.487 2.4026 234.330 3.6956 1.156967       4.407904 
1 1 1 0  19 19 o 244.101 2.0383 595.384  6.7746  242.880 2.4008 245.322 3.2947 -2.441727      4.076563 
1 1 1 0  19 21 o 14.721  4.6911 -2.5855  2.1111  15.418  6.6846 14.023  6.5835 1.395438       9.382214 
1 1 1 0  19 23 o 90.841  1.8652 82.559   2.3928  89.986  2.5663 91.695  2.7073 -1.708969      3.730340 
1 1 1 0  19 25 o 173.919 1.5964 302.660  3.9224  174.778 2.3122 173.061 2.2017 1.717285       3.192805 
1 1 1 0  19 27 o 131.403 1.5071 172.872  2.7997  130.611 2.1659 132.195 2.0963 -1.584442      3.014186 
1 1 1 0  19 29 o 19.418  5.3715 1.9481   2.2146  20.879  7.4384 17.958  7.7511 2.921366       10.74293 
1 1 1 0  19 31 o 14.243  4.6698 -2.9140  2.0100  12.559  5.7050 15.927  7.3946 -3.367154      9.339511 
1 1 1 0  19 33 o 88.054  2.1587 75.559   2.4436  82.919  2.2976 93.189  3.6552 -10.27005      4.317314 
1 1 1 0  19 35 o 28.639  5.0414 8.6859   2.0296  25.304  7.0451 31.975  7.2131 -6.671303      10.08274 
1 1 1 0  19 37 o 49.466  3.4876 25.501   2.2580  52.370  3.6379 46.563  5.9514 5.807251       6.975239 
1 1 1 0  19 39 o 47.922  3.6038 23.291   2.3134  45.845  4.1557 49.998  5.8889 -4.153831      7.207541 
1 1 1 0  19 41 o 37.611  4.1972 15.399   2.0973  29.394  6.8065 45.829  4.9130 -16.43472      8.394376 
1 1 1 0  19 43 o 35.291  5.6237 15.033   2.6326  34.412  6.6110 36.170  9.0992 -1.757404      11.24730 
1 1 1 0  19 45 o 14.669  4.8931 -2.9704  2.5123  13.601  6.3239 15.736  7.4684 -2.134884      9.786174 
1 1 1 0  20 0  o 399.189 4.3109 1594.68  34.408  399.189 4.3109 ?       ?      0.000000       0.000000 
1 1 1 0  20 2  o 271.033 1.9775 738.315  7.4301  276.857 2.4398 265.209 3.1129 11.64737       3.955082 
1 1 1 0  20 4  o 125.709 1.5880 158.346  2.7640  126.676 1.9597 124.742 2.4992 1.934975       3.175921 
1 1 1 0  20 6  o 162.137 1.7566 261.095  3.7522  159.512 1.9182 164.762 2.9434 -5.249634      3.513252 
1 1 1 0  20 8  o 359.062 2.4998 1286.30  12.297  355.510 3.0043 362.614 3.9962 -7.103729      4.999525 
1 1 1 0  20 10 o 495.771 3.2695 2465.04  22.558  499.934 4.1111 491.607 5.0850 8.327118       6.538953 
1 1 1 0  20 12 o 209.447 1.7186 440.133  5.0039  212.390 2.1474 206.503 2.6839 5.887070       3.437226 
1 1 1 0  20 14 o 253.914 2.0763 645.243  7.2594  254.062 2.5223 253.767 3.2988 0.2946167      4.152594 
1 1 1 0  20 16 o 200.988 1.9799 404.265  5.2836  201.044 2.1824 200.933 3.3042 0.1116486      3.959892 
1 1 1 0  20 18 o 70.647  2.2270 49.468   2.1773  67.758  2.8117 73.536  3.4544 -5.777985      4.454072 
1 1 1 0  20 20 o 110.934 1.7589 125.957  2.5754  117.193 1.8720 104.675 2.9783 12.51775       3.517745 
1 1 1 0  20 22 o 192.419 1.8178 367.792  4.6691  188.737 2.0494 196.101 3.0029 -7.364410      3.635595 
1 1 1 0  20 24 o 108.064 1.8021 115.902  2.6739  104.798 2.2036 111.330 2.8521 -6.531761      3.604210 
1 1 1 0  20 26 o 90.465  2.0861 82.230   2.6444  88.826  3.1848 92.105  2.6953 -3.279205      4.172193 
1 1 1 0  20 28 o 48.328  3.7328 23.959   2.4825  54.838  4.5269 41.817  5.9365 13.02109       7.465584 
1 1 1 0  20 30 o 105.398 2.0948 111.278  3.1004  104.490 2.7626 106.307 3.1498 -1.816689      4.189649 
1 1 1 0  20 32 o 93.046  2.0848 86.854   2.4750  92.957  2.1116 93.135  3.5953 -0.1784592     4.169532 
1 1 1 0  20 34 o 78.169  2.2702 62.491   2.3368  81.255  2.4157 75.084  3.8445 6.170723       4.540492 
1 1 1 0  20 36 o 44.283  4.4941 20.653   2.3326  45.568  3.9276 42.998  8.0847 2.569519       8.988237 
1 1 1 0  20 38 o 21.268  5.7837 3.5164   2.3513  20.836  7.2364 21.700  9.0243 -0.8645725     11.56734 
1 1 1 0  20 40 o 50.867  3.9488 27.573   2.6326  52.701  4.1628 49.033  6.7113 3.668476       7.897501 
1 1 1 0  20 42 o 26.955  6.2753 9.1783   2.7469  27.924  7.7785 25.986  9.8494 1.938646       12.55055 
1 1 1 0  20 44 o 16.007  5.2617 -1.5690  2.5776  14.726  6.5207 17.288  8.2597 -2.562064      10.52337 
1 1 1 0  21 1  o 249.247 2.0971 618.206  7.3135  241.522 2.7489 256.972 3.1678 -15.44968      4.194183 
1 1 1 0  21 3  o 212.739 1.8104 453.955  5.3299  215.176 2.2269 210.302 2.8550 4.874008       3.620812 
1 1 1 0  21 5  o 368.448 2.7817 1359.47  14.153  369.294 3.4080 367.601 4.3974 1.692932       5.563465 
1 1 1 0  21 7  o 148.652 1.6047 220.587  3.2848  147.512 1.9569 149.791 2.5438 -2.278458      3.209373 
1 1 1 0  21 9  f 271.745 2.1485 742.676  7.9034  275.893 2.4692 267.597 3.5166 8.296387       4.296938 
1 1 1 0  21 11 o 190.387 1.7849 364.641  4.7333  195.989 2.2387 184.785 2.7806 11.20387       3.569834 
1 1 1 0  21 13 o 102.017 1.6165 103.543  2.2386  100.327 1.8990 103.706 2.6164 -3.379890      3.232928 
1 1 1 0  21 15 o 41.244  3.9031 15.899   2.0141  36.249  4.1409 46.238  6.6175 -9.989700      7.806283 
1 1 1 0  21 17 o 109.018 1.7260 119.102  2.6557  113.016 2.3498 105.019 2.5288 7.996490       3.452005 
1 1 1 0  21 19 o 123.553 1.7456 153.368  3.0175  126.551 2.2354 120.556 2.6818 5.995132       3.491235 
1 1 1 0  21 21 o 187.968 2.0697 349.689  4.9811  183.807 2.1358 192.130 3.5457 -8.322723      4.139327 
1 1 1 0  21 23 o 147.457 1.8033 217.087  3.5424  146.454 2.0104 148.460 2.9943 -2.005493      3.606641 
1 1 1 0  21 25 o 21.167  5.4096 3.4877   2.0404  17.304  6.8183 25.031  8.4004 -7.727018      10.81922 
1 1 1 0  21 27 o 21.193  5.2821 3.2030   2.1923  25.026  7.3594 17.360  7.5790 7.665504       10.56419 
1 1 1 0  21 29 o 96.280  1.9518 93.081   2.5732  96.796  2.3261 95.764  3.1349 1.031548       3.903601 
1 1 1 0  21 31 o 26.063  6.8558 5.0237   3.1557  20.066  8.0718 32.059  11.084 -11.99361      13.71155 
1 1 1 0  21 33 o 26.402  5.7934 6.7879   2.4143  29.520  6.0752 23.284  9.8665 6.236029       11.58690 
1 1 1 0  21 35 o 51.410  3.3546 27.623   2.1924  54.456  3.2865 48.364  5.8492 6.092319       6.709232 
1 1 1 0  21 37 o 31.226  5.4851 10.930   2.4261  35.500  5.5294 26.953  9.4749 8.547016       10.97029 
1 1 1 0  21 39 o 31.363  5.8275 10.588   2.4436  25.429  7.1786 37.298  9.1819 -11.86843      11.65501 
1 1 1 0  21 41 o 20.417  6.2718 0.7061   3.0043  19.991  7.3076 20.844  10.195 -0.8529472     12.54365 
1 1 1 0  21 43 o 22.713  5.8272 6.3682   2.3962  22.800  7.6863 22.626  8.7604 0.1735687      11.65432 
1 1 1 0  22 0  o 308.650 3.1806 953.276  19.629  308.650 3.1806 ?       ?      0.000000       0.000000 
1 1 1 0  22 2  o 446.038 3.0129 1996.76  18.456  450.006 3.6178 442.070 4.8190 7.936249       6.025878 
1 1 1 0  22 4  o 327.200 2.4008 1074.14  10.831  330.417 2.9179 323.983 3.8134 6.433899       4.801676 
1 1 1 0  22 6  o 339.577 2.5971 1155.60  11.886  340.724 2.9652 338.431 4.2647 2.293030       5.194242 
1 1 1 0  22 8  o 259.016 2.3304 675.017  8.0402  262.524 2.5730 255.509 3.8863 7.014404       4.660885 
1 1 1 0  22 10 o 108.600 1.7142 117.717  2.5158  107.865 1.9803 109.335 2.7986 -1.469505      3.428372 
1 1 1 0  22 12 o 119.930 1.7977 144.544  3.0307  126.743 2.3686 113.118 2.7050 13.62454       3.595460 
1 1 1 0  22 14 o 237.883 1.9459 567.846  6.5156  244.007 2.5789 231.759 2.9145 12.24815       3.891711 
1 1 1 0  22 16 o 190.240 1.8450 363.724  4.9278  196.984 2.4033 183.496 2.8001 13.48730       3.690059 
1 1 1 0  22 18 o 139.902 1.7606 198.400  3.3436  145.634 2.0217 134.169 2.8830 11.46490       3.521224 
1 1 1 0  22 20 o 128.107 2.0768 163.358  3.3402  126.780 2.0492 129.433 3.6129 -2.653107      4.153584 
1 1 1 0  22 22 o 93.783  2.0773 88.178   2.6348  94.055  2.3939 93.512  3.3956 0.5437317      4.154595 
1 1 1 0  22 24 o 54.584  3.3124 29.229   2.4961  48.767  4.3802 60.401  4.9702 -11.63404      6.624898 
1 1 1 0  22 26 o 50.391  3.5425 25.495   2.4712  49.805  4.4048 50.977  5.5493 -1.171642      7.085028 
1 1 1 0  22 28 o 29.641  5.5953 9.3137   2.3928  28.875  8.2083 30.408  7.6061 -1.533449      11.19052 
1 1 1 0  22 30 f 48.252  3.5952 23.514   2.4451  45.538  5.0711 50.965  5.0975 -5.427418      7.190345 
1 1 1 0  22 32 o 117.629 2.4550 133.930  3.1434  112.199 1.9553 123.059 4.5038 -10.85983      4.909902 
1 1 1 0  22 34 o 41.899  5.5690 15.615   2.4891  33.136  5.0527 50.663  9.9261 -17.52706      11.13806 
1 1 1 0  22 36 o 37.962  7.1183 15.766   2.7423  39.477  4.3873 36.447  13.544 3.029488       14.23666 
1 1 1 0  22 38 o 24.484  7.7145 2.0613   2.8225  13.740  6.1407 35.227  14.154 -21.48728      15.42891 
1 1 1 0  22 40 o 18.538  5.9678 -0.0532  2.7565  16.358  6.8134 20.717  9.7998 -4.358770      11.93565 
1 1 1 0  22 42 o 24.133  6.8406 5.9147   2.7625  16.178  6.8378 32.087  11.850 -15.90869      13.68128 
1 1 1 0  22 44 o 19.427  6.2046 2.2971   2.9778  17.294  7.1595 21.560  10.136 -4.265869      12.40920 
1 1 1 0  23 1  o 464.534 3.3611 2164.21  21.961  468.750 4.4462 460.318 5.0418 8.432373       6.722221 
1 1 1 0  23 3  o 233.352 2.2470 545.022  6.7276  233.424 2.3002 233.280 3.8607 0.1436462      4.493963 
1 1 1 0  23 5  o 290.846 2.2596 852.013  8.9822  297.172 2.6615 284.520 3.6524 12.65219       4.519274 
1 1 1 0  23 7  o 237.137 2.0254 563.374  6.6068  238.110 2.4489 236.164 3.2269 1.945831       4.050857 
1 1 1 0  23 9  o 192.169 1.8418 370.801  4.8306  194.322 2.1688 190.016 2.9775 4.306000       3.683665 
1 1 1 0  23 11 o 206.137 1.7992 426.101  5.2055  209.061 2.3473 203.214 2.7273 5.846573       3.598337 
1 1 1 0  23 13 o 127.771 1.6987 163.778  2.9691  128.868 2.0160 126.673 2.7345 2.194481       3.397338 
1 1 1 0  23 15 o 114.367 2.2262 130.978  3.1859  114.387 2.1703 114.348 3.8876 0.3928375E-01  4.452357 
1 1 1 0  23 17 o 39.571  4.5274 16.237   2.0654  40.731  3.8270 38.411  8.2063 2.320507       9.054806 
1 1 1 0  23 19 o 31.728  5.3907 10.279   2.2703  29.518  6.4372 33.938  8.6487 -4.420637      10.78132 
1 1 1 0  23 21 o 165.744 2.1130 278.023  4.6545  170.001 2.3093 161.488 3.5393 8.513168       4.226021 
1 1 1 0  23 23 o 126.266 2.2159 160.952  3.7440  128.611 2.4689 123.920 3.6805 4.691422       4.431861 
1 1 1 0  23 25 o 115.474 2.2119 133.915  3.2635  115.900 2.2416 115.048 3.8138 0.8516464      4.423726 
1 1 1 0  23 27 o 104.184 2.1311 108.171  3.0309  101.863 2.5504 106.504 3.4150 -4.640282      4.262290 
1 1 1 0  23 29 o 50.739  3.9538 26.480   2.7122  52.680  4.4932 48.798  6.5070 3.882214       7.907599 
1 1 1 0  23 31 o 47.073  4.2747 22.930   2.7854  49.849  5.2117 44.297  6.7772 5.552204       8.549372 
1 1 1 0  23 33 o 93.581  3.0791 88.211   3.0563  93.235  2.2911 93.928  5.7162 -0.6931763     6.158244 
1 1 1 0  23 35 o 31.367  6.4941 10.344   2.5525  32.775  5.1083 29.960  11.941 2.814735       12.98817 
1 1 1 0  23 37 o 23.065  6.4335 3.6644   2.5326  15.695  6.6301 30.436  11.027 -14.74090      12.86696 
1 1 1 0  23 39 o 21.245  6.3797 3.4758   2.5757  17.943  6.8761 24.548  10.748 -6.605665      12.75945 
1 1 1 0  23 41 o 22.802  6.6896 5.5907   2.7414  19.201  7.1676 26.403  11.297 -7.201918      13.37914 
1 1 1 0  23 43 o 19.018  6.0871 2.4248   2.5980  15.582  6.5494 22.455  10.263 -6.873304      12.17428 
1 1 1 0  24 0  o 161.645 2.8234 261.643  9.1217  161.645 2.8234 ?       ?      0.000000       0.000000 
1 1 1 0  24 2  o 173.540 1.8392 303.332  4.2790  176.590 2.0597 170.491 3.0476 6.098511       3.678329 
1 1 1 0  24 4  o 31.090  4.6939 10.293   1.9794  35.263  4.9116 26.917  8.0005 8.345734       9.387859 
1 1 1 0  24 6  o 245.884 2.2412 605.945  7.1116  246.428 2.3193 245.340 3.8356 1.087082       4.482348 
1 1 1 0  24 8  o 223.564 1.9685 501.789  6.0345  225.931 2.3509 221.197 3.1581 4.734146       3.937034 
1 1 1 0  24 10 o 376.549 2.8209 1427.81  14.621  383.860 3.3990 369.239 4.5030 14.62115       5.641861 
1 1 1 0  24 12 o 254.567 2.1345 650.655  7.5349  257.620 2.6444 251.515 3.3513 6.105637       4.268911 
1 1 1 0  24 14 o 122.102 1.7595 148.788  2.9121  121.057 2.0507 123.147 2.8597 -2.089760      3.518992 
1 1 1 0  24 16 o 37.478  4.6064 13.482   2.1785  32.696  5.1206 42.260  7.6587 -9.564556      9.212833 
1 1 1 0  24 18 f 90.716  2.2247 81.768   2.7334  88.552  2.6078 92.881  3.6051 -4.329185      4.449476 
1 1 1 0  24 20 o 73.436  2.4541 54.048   2.5192  73.102  3.1590 73.769  3.7565 -0.6667023     4.908234 
1 1 1 0  24 22 o 132.614 1.9422 174.828  3.3969  130.196 2.1284 135.033 3.2493 -4.836395      3.884382 
1 1 1 0  24 24 o 105.470 2.0177 110.964  2.8720  104.039 2.3306 106.900 3.2944 -2.861198      4.035412 
1 1 1 0  24 26 o 87.345  2.3477 76.447   2.8450  86.337  2.9422 88.353  3.6592 -2.015602      4.695371 
1 1 1 0  24 28 o 26.588  5.9193 6.8500   2.5143  21.119  7.8251 32.057  8.8838 -10.93813      11.83864 
1 1 1 0  24 30 o 30.190  6.0411 9.6904   2.6938  27.129  8.3426 33.252  8.7396 -6.122572      12.08222 
1 1 1 0  24 32 f 19.414  5.6973 1.3895   2.5662  19.263  7.9526 19.566  8.1604 -0.3031654     11.39460 
1 1 1 0  24 34 o 20.704  6.2078 1.7100   2.5226  15.474  6.5872 25.933  10.524 -10.45984      12.41559 
1 1 1 0  24 36 o 31.163  6.6462 10.709   2.5980  30.885  5.8209 31.441  11.950 -0.5560493     13.29244 
1 1 1 0  24 38 o 28.898  6.6628 9.8756   2.5325  27.840  6.1767 29.955  11.808 -2.114822      13.32553 
1 1 1 0  24 40 o 15.184  5.2698 -5.0201  2.7388  12.795  5.9180 17.572  8.7212 -4.776566      10.53956 
1 1 1 0  24 42 o 25.446  7.3257 8.9897   3.0791  21.306  7.5514 29.586  12.555 -8.280586      14.65136 
1 1 1 0  25 1  o 68.753  2.4362 46.626   2.2095  66.383  2.6960 71.123  4.0586 -4.739708      4.872461 
1 1 1 0  25 3  o 202.377 1.8836 411.079  5.3592  207.505 2.4762 197.249 2.8391 10.25655       3.767194 
1 1 1 0  25 5  o 105.098 1.9858 112.483  2.7735  109.812 2.1555 100.384 3.3357 9.428299       3.971518 
1 1 1 0  25 7  o 109.715 1.7766 120.569  2.7177  110.119 2.2544 109.311 2.7464 0.8083267      3.553117 
1 1 1 0  25 9  o 178.932 1.9832 319.181  4.7293  177.055 2.2173 180.810 3.2888 -3.755051      3.966404 
1 1 1 0  25 11 o 177.563 1.8753 315.873  4.6186  178.218 2.3324 176.909 2.9371 1.308960       3.750509 
1 1 1 0  25 13 o 231.059 2.1347 535.376  6.6761  231.967 2.4639 230.151 3.4867 1.815704       4.269463 
1 1 1 0  25 15 o 77.265  2.3048 58.754   2.4155  73.222  2.7596 81.307  3.6923 -8.084984      4.609575 
1 1 1 0  25 17 o 162.134 1.8171 263.887  4.0695  163.642 2.2226 160.626 2.8754 3.016266       3.634252 
1 1 1 0  25 19 f 62.802  2.8063 37.839   2.3916  52.429  3.7439 73.174  4.1815 -20.74504      5.612657 
1 1 1 0  25 21 o 115.783 2.1076 136.299  3.3356  121.847 2.4638 109.719 3.4202 12.12766       4.215204 
1 1 1 0  25 23 o 233.773 2.1070 549.985  6.8110  236.968 2.5825 230.578 3.3301 6.389618       4.214083 
1 1 1 0  25 25 o 44.263  4.3934 20.759   2.5428  48.865  4.7259 39.661  7.4077 9.203964       8.786831 
1 1 1 0  25 27 f 35.546  5.3827 13.615   2.6240  37.609  7.0153 33.482  8.1659 4.127132       10.76548 
1 1 1 0  25 29 o 59.976  3.4757 36.380   2.9160  58.671  4.5264 61.282  5.2756 -2.611469      6.951319 
1 1 1 0  25 31 o 43.196  4.8838 20.674   2.7396  52.210  5.0866 34.181  8.3387 18.02846       9.767629 
1 1 1 0  25 33 o 41.359  4.8363 18.391   2.7699  39.651  7.1002 43.067  6.5686 -3.416367      9.672583 
1 1 1 0  25 35 o 46.678  6.4760 27.156   2.5778  53.134  3.1510 40.221  12.563 12.91286       12.95197 
1 1 1 0  25 37 o 49.613  5.7242 28.589   2.7096  51.421  3.5928 47.806  10.870 3.614723       11.44845 
1 1 1 0  25 39 o 14.947  5.0819 -4.0528  2.6672  13.307  6.1362 16.587  8.1025 -3.279878      10.16380 
1 1 1 0  25 41 o 23.361  6.1833 7.1075   2.6461  23.914  7.2992 22.807  9.9827 1.107018       12.36662 
1 1 1 0  26 0  o 120.035 2.4552 144.331  5.8887  120.035 2.4552 ?       ?      0.000000       0.000000 
1 1 1 0  26 2  o 269.082 2.2459 733.742  8.1401  278.400 2.5299 259.763 3.7116 18.63644       4.491806 
1 1 1 0  26 4  o 277.072 2.2165 771.350  8.3197  279.886 2.5578 274.258 3.6207 5.627594       4.432981 
1 1 1 0  26 6  o 143.283 1.7018 205.894  3.4232  145.467 2.2225 141.100 2.5777 4.366135       3.403536 
1 1 1 0  26 8  o 143.176 1.7600 206.270  3.3876  145.276 1.9870 141.075 2.9055 4.200699       3.519981 
1 1 1 0  26 10 o 111.851 1.9560 126.225  2.9515  114.326 2.2219 109.375 3.2198 4.951355       3.912037 
1 1 1 0  26 12 o 111.330 2.1700 124.872  3.1627  112.796 2.3032 109.863 3.6784 2.933205       4.340025 
1 1 1 0  26 14 o 94.295  2.4338 88.799   3.1825  92.644  3.0535 95.946  3.7908 -3.301201      4.867661 
1 1 1 0  26 16 f 90.690  2.5721 84.035   3.0483  94.505  2.6879 86.875  4.3860 7.630554       5.144112 
1 1 1 0  26 18 o 238.928 2.3165 577.349  7.6034  246.549 2.7631 231.306 3.7189 15.24289       4.633055 
1 1 1 0  26 20 o 174.582 1.9461 307.657  4.6636  179.242 2.3191 169.921 3.1258 9.320953       3.892116 
1 1 1 0  26 22 f 90.095  2.6218 81.593   3.1895  90.054  3.0131 90.136  4.2913 -0.8192444E-01 5.243503 
1 1 1 0  26 24 o 46.078  4.3457 20.640   2.7035  39.156  5.6028 53.001  6.6446 -13.84517      8.691478 
1 1 1 0  26 26 o 72.744  2.9555 53.909   2.9743  75.204  3.6081 70.285  4.6820 4.918358       5.910954 
1 1 1 0  26 28 o 69.286  3.2156 49.254   3.0431  72.198  3.7583 66.375  5.2187 5.822151       6.431163 
1 1 1 0  26 30 o 34.363  6.0688 13.177   2.9342  33.463  8.3090 35.263  8.8478 -1.800282      12.13762 
1 1 1 0  26 32 o 31.984  6.2139 11.381   2.8512  28.030  8.2870 35.939  9.2615 -7.908968      12.42779 
1 1 1 0  26 34 o 23.882  6.0199 4.6563   2.9083  30.564  9.2347 17.199  7.7250 13.36464       12.03975 
1 1 1 0  26 36 o 29.531  6.5136 11.161   2.9006  32.191  6.5047 26.871  11.287 5.319393       13.02717 
1 1 1 0  26 38 o 15.934  5.2815 -1.9104  2.5192  14.365  6.3004 17.502  8.4782 -3.136943      10.56291 
1 1 1 0  26 40 o 19.668  6.4463 1.9516   3.0316  14.285  6.5151 25.052  11.125 -10.76622      12.89263 
1 1 1 0  27 1  o 164.585 1.8217 269.344  4.1991  171.546 2.7260 157.624 2.4174 13.92142       3.643431 
1 1 1 0  27 3  o 115.153 1.9937 134.927  3.0508  119.943 2.1660 110.363 3.3479 9.579758       3.987495 
1 1 1 0  27 5  o 121.212 1.8796 148.797  3.0699  125.260 2.1201 117.164 3.1043 8.096275       3.759211 
1 1 1 0  27 7  f 70.270  2.8003 49.257   2.6326  69.324  3.1646 71.216  4.6208 -1.891548      5.600573 
1 1 1 0  27 9  o 50.247  3.1685 25.121   2.2146  48.091  4.0817 52.402  4.8475 -4.311607      6.337072 
1 1 1 0  27 11 o 50.446  3.7346 25.851   2.4261  51.439  3.8159 49.453  6.4208 1.986099       7.469104 
1 1 1 0  27 13 o 92.446  2.5107 86.596   3.0241  94.508  2.6267 90.383  4.2796 4.125511       5.021463 
1 1 1 0  27 15 o 131.031 1.8682 172.375  3.3084  131.824 2.1460 130.239 3.0586 1.584579       3.736359 
1 1 1 0  27 17 o 70.114  3.1298 48.836   2.9030  68.182  3.4716 72.045  5.2087 -3.862572      6.259607 
1 1 1 0  27 19 o 44.403  4.8303 21.659   2.6348  51.009  4.4140 37.796  8.5932 13.21269       9.660561 
1 1 1 0  27 21 o 48.427  4.1983 23.990   2.6926  49.351  4.5623 47.502  7.0491 1.848618       8.396697 
1 1 1 0  27 23 o 49.161  5.0575 25.374   3.1196  50.478  5.0323 47.843  8.7744 2.635593       10.11500 
1 1 1 0  27 25 o 58.358  3.5313 34.201   2.7712  56.661  4.0756 60.055  5.7680 -3.393967      7.062599 
1 1 1 0  27 27 o 23.924  6.5116 4.0349   3.0699  19.826  8.2078 28.022  10.111 -8.195700      13.02318 
1 1 1 0  27 29 o 52.462  4.6107 29.351   3.2259  56.444  5.0118 48.479  7.7406 7.964760       9.221478 
1 1 1 0  27 31 o 15.149  5.0678 -5.6254  2.8450  14.339  6.7557 15.958  7.5558 -1.618764      10.13557 
1 1 1 0  27 33 o 23.612  6.0427 4.6058   2.8225  16.966  7.5189 30.257  9.4617 -13.29148      12.08542 
1 1 1 0  27 35 o 23.335  6.1493 6.2589   2.7759  24.835  8.4975 21.835  8.8909 3.000111       12.29865 
1 1 1 0  27 37 o 29.398  7.0659 11.255   2.8125  27.844  6.7051 30.952  12.440 -3.107864      14.13183 
1 1 1 0  28 0  o 160.938 2.3328 259.333  7.5052  160.938 2.3328 ?       ?      0.000000       0.000000 
1 1 1 0  28 2  o 152.065 1.8702 231.430  3.9873  151.288 2.4423 152.843 2.8329 -1.555481      3.740347 
1 1 1 0  28 4  o 227.422 1.9619 517.326  6.1521  226.031 2.4009 228.812 3.1034 -2.780914      3.923751 
1 1 1 0  28 6  o 88.872  2.4198 78.448   2.8677  86.750  2.7286 90.993  3.9971 -4.243172      4.839651 
1 1 1 0  28 8  o 230.422 2.0908 531.616  6.5374  229.783 2.4371 231.062 3.3980 -1.279694      4.181646 
1 1 1 0  28 10 o 96.561  2.2845 93.170   2.8305  95.914  2.3475 97.208  3.9198 -1.293961      4.568953 
1 1 1 0  28 12 o 132.205 1.9454 176.467  3.5198  135.734 2.2968 128.676 3.1407 7.057938       3.890887 
1 1 1 0  28 14 o 99.082  2.6580 101.365  3.5198  107.433 2.9019 90.731  4.4541 16.70168       5.316012 
1 1 1 0  28 16 o 155.005 2.3236 247.995  4.6509  164.559 2.3506 145.452 4.0089 19.10710       4.647161 
1 1 1 0  28 18 o 145.447 1.9708 212.029  3.9208  144.946 2.3500 145.948 3.1645 -1.002686      3.941662 
1 1 1 0  28 20 o 110.183 2.1809 121.630  3.2280  109.293 2.4827 111.073 3.5864 -1.780067      4.361888 
1 1 1 0  28 22 o 57.782  3.8079 33.510   3.0491  54.048  4.9135 61.515  5.8187 -7.466755      7.615806 
1 1 1 0  28 24 o 117.116 2.1388 137.246  3.4450  114.926 2.6122 119.306 3.3873 -4.380127      4.277542 
1 1 1 0  28 26 o 53.704  4.1708 30.241   2.9716  56.445  4.5003 50.963  7.0235 5.481773       8.341595 
1 1 1 0  28 28 o 43.330  5.6791 19.882   3.1698  40.656  6.2481 46.003  9.4853 -5.347458      11.35821 
1 1 1 0  28 30 o 28.932  6.5056 9.4415   2.9310  25.793  8.4975 32.071  9.8531 -6.277271      13.01124 
1 1 1 0  28 32 o 24.925  6.3984 6.3848   3.1004  28.446  9.0407 21.404  9.0567 7.042658       12.79675 
1 1 1 0  28 34 o 59.070  3.7647 38.116   3.1133  62.190  4.8273 55.951  5.7783 6.239441       7.529367 
1 1 1 0  28 36 o 34.747  7.9649 18.181   4.2359  28.706  9.8398 40.788  12.527 -12.08240      15.92974 
1 1 1 0  29 1  o 100.900 2.0985 102.206  2.9393  100.244 3.2827 101.557 2.6150 -1.312653      4.196952 
1 1 1 0  29 3  o 108.420 2.2090 114.798  3.1975  101.276 2.5652 115.565 3.5969 -14.28931      4.417911 
1 1 1 0  29 5  f 77.253  2.7178 59.169   2.7369  75.202  2.9172 79.304  4.5863 -4.101753      5.435504 
1 1 1 0  29 7  o 24.671  6.1344 5.3077   2.4503  23.560  7.1871 25.781  9.9434 -2.220600      12.26883 
1 1 1 0  29 9  o 33.930  5.5478 12.581   2.5648  39.328  5.2847 28.532  9.7562 10.79655       11.09553 
1 1 1 0  29 11 o 21.715  6.0944 2.7122   2.5638  20.054  7.4075 23.376  9.6797 -3.322659      12.18882 
1 1 1 0  29 13 o 28.617  5.3226 7.4926   2.8123  38.015  6.2266 19.218  8.6342 18.79654       10.64519 
1 1 1 0  29 15 o 73.510  2.8877 54.875   2.5273  74.571  2.5548 72.450  5.1796 2.121498       5.775415 
1 1 1 0  29 17 o 33.391  5.4584 12.285   2.7865  43.005  5.7726 23.777  9.2657 19.22810       10.91674 
1 1 1 0  29 19 o 115.050 2.2983 132.612  3.6591  112.867 2.8644 117.232 3.5950 -4.365509      4.596608 
1 1 1 0  29 21 o 105.679 2.5071 111.396  3.6054  102.385 2.9885 108.973 4.0264 -6.587753      5.014267 
1 1 1 0  29 23 o 85.142  2.8318 72.307   3.3084  80.812  3.5006 89.471  4.4523 -8.658379      5.663655 
1 1 1 0  29 25 o 61.597  3.9185 37.114   3.1709  54.193  4.5808 69.002  6.3587 -14.80905      7.836946 
1 1 1 0  29 27 f 25.615  6.7138 5.9580   3.3254  27.442  8.8718 23.787  10.079 3.655174       13.42758 
1 1 1 0  29 29 o 22.205  6.2500 1.8347   2.9534  14.439  6.7272 29.970  10.535 -15.53076      12.49994 
1 1 1 0  29 31 o 20.488  6.1083 2.6656   3.0285  20.613  8.5945 20.363  8.6820 0.2501240      12.21653 
1 1 1 0  29 33 o 29.362  6.6916 10.975   3.4293  21.440  8.8854 37.284  10.008 -15.84449      13.38314 
1 1 1 0  29 35 o 22.927  6.5158 5.3744   3.4639  28.683  10.349 17.172  7.9195 11.51089       13.03162 
1 1 1 0  30 0  o 33.296  7.7883 12.817   4.5031  33.296  7.7883 ?       ?      0.000000       0.000000 
1 1 1 0  30 2  o 28.853  5.7023 8.5585   2.5928  34.549  7.3997 23.157  8.6782 11.39159       11.40469 
1 1 1 0  30 4  o 58.941  3.4364 35.766   2.5365  61.439  3.2889 56.443  6.0347 4.995377       6.872756 
1 1 1 0  30 6  o 85.981  2.2539 74.617   2.6938  88.557  2.8033 83.405  3.5302 5.152031       4.507802 
1 1 1 0  30 8  o 152.867 2.1666 235.890  4.4574  155.504 2.4503 150.230 3.5739 5.274353       4.333248 
1 1 1 0  30 10 o 105.140 2.1137 111.772  3.0280  107.747 2.4647 102.534 3.4346 5.212830       4.227492 
1 1 1 0  30 12 o 22.416  5.4692 2.0300   2.3482  12.931  6.0287 31.901  9.1270 -18.96989      10.93835 
1 1 1 0  30 14 f 68.823  3.2471 47.766   3.1017  67.994  4.0756 69.653  5.0560 -1.659393      6.494147 
1 1 1 0  30 16 o 42.990  4.5342 19.938   2.4155  47.057  4.2940 38.924  7.9873 8.133202       9.068424 
1 1 1 0  30 18 o 74.033  2.9450 55.347   3.0064  73.751  3.6009 74.315  4.6611 -0.5646515     5.890057 
1 1 1 0  30 20 o 68.841  3.2471 48.444   3.0791  70.884  3.9094 66.799  5.1856 4.085831       6.494173 
1 1 1 0  30 22 o 134.855 2.1063 183.677  3.9300  135.821 2.5929 133.889 3.3202 1.932159       4.212689 
1 1 1 0  30 24 o 64.751  3.8330 43.390   3.3068  65.295  4.2440 64.206  6.3841 1.088882       7.666054 
1 1 1 0  30 26 o 30.853  6.7540 10.990   3.2471  32.005  8.6378 29.702  10.385 2.303469       13.50791 
1 1 1 0  30 28 o 32.202  6.0089 11.549   3.0652  21.407  8.5028 42.996  8.4929 -21.58872      12.01779 
1 1 1 0  30 30 f 33.780  6.4560 14.967   3.1267  36.240  7.4245 31.320  10.564 4.920670       12.91191 
1 1 1 0  30 32 o 37.512  6.3917 18.910   3.3218  39.695  7.6920 35.330  10.210 4.364967       12.78343 
1 1 1 0  30 34 o 20.965  6.3967 4.3895   3.6476  18.455  8.6232 23.476  9.4504 -5.021646      12.79333 
1 1 1 0  31 1  o 175.082 1.9605 307.482  4.8385  175.401 2.8965 174.763 2.6428 0.6381073      3.920939 
1 1 1 0  31 3  o 168.191 1.9060 283.853  4.5318  170.117 2.6471 166.266 2.7431 3.851166       3.812035 
1 1 1 0  31 5  o 200.311 2.0561 401.126  5.7123  196.817 2.5813 203.805 3.2010 -6.987366      4.112102 
1 1 1 0  31 7  o 146.413 2.0125 215.706  4.0695  147.860 2.4598 144.966 3.1860 2.894150       4.025080 
1 1 1 0  31 9  o 40.896  5.3296 16.538   2.7179  36.758  5.6542 45.034  9.0359 -8.275436      10.65913 
1 1 1 0  31 11 o 27.748  6.5843 7.5248   2.8757  25.501  8.0843 29.996  10.395 -4.495462      13.16862 
1 1 1 0  31 13 o 88.591  2.8677 79.728   3.2474  89.723  2.8955 87.458  4.9508 2.264656       5.735405 
1 1 1 0  31 15 o 116.992 2.3861 137.972  3.6306  117.377 2.5085 116.607 4.0598 0.7696762      4.772268 
1 1 1 0  31 17 o 86.009  3.1028 74.758   3.6054  85.441  3.5812 86.577  5.0679 -1.135735      6.205555 
1 1 1 0  31 19 o 124.500 2.4914 153.979  4.0805  119.895 2.7447 129.105 4.1587 -9.210197      4.982793 
1 1 1 0  31 21 o 88.081  2.6364 78.048   3.1697  85.929  3.1577 90.233  4.2228 -4.304176      5.272861 
1 1 1 0  31 23 o 23.286  6.8252 3.0603   3.5839  21.196  8.8411 25.376  10.400 -4.179726      13.65046 
1 1 1 0  31 25 o 27.536  7.4657 7.6087   3.5834  25.095  8.5935 29.977  12.211 -4.882486      14.93139 
1 1 1 0  31 27 o 35.039  6.3185 13.170   2.8733  24.890  7.7559 45.187  9.9770 -20.29724      12.63705 
1 1 1 0  31 29 o 19.555  6.2718 0.3109   3.4476  16.993  7.6735 22.117  9.9227 -5.124834      12.54366 
1 1 1 0  31 31 o 33.791  6.2005 14.893   2.8677  32.587  7.4266 34.995  9.9314 -2.407978      12.40108 
1 1 1 0  31 33 o 23.025  6.5969 6.9861   3.5221  25.588  9.4957 20.462  9.1600 5.126383       13.19373 
1 1 1 0  32 0  o 194.659 2.6407 379.879  10.276  194.659 2.6407 ?       ?      0.000000       0.000000 
1 1 1 0  32 2  f 209.877 1.9657 442.129  5.8167  211.426 2.8944 208.327 2.6604 3.098999       3.931339 
1 1 1 0  32 4  o 169.506 2.1106 288.897  5.0382  169.909 2.8202 169.103 3.1409 0.8066559      4.221242 
1 1 1 0  32 6  o 136.988 2.2422 189.451  4.1598  138.492 2.5846 135.484 3.6646 3.007614       4.484349 
1 1 1 0  32 8  o 124.266 2.4317 156.872  3.9080  126.609 2.5079 121.922 4.1670 4.687225       4.863455 
1 1 1 0  32 10 o 147.349 2.1280 218.102  4.1980  146.981 2.3960 147.716 3.5175 -0.7352295     4.256002 
1 1 1 0  32 12 o 79.826  3.2206 62.339   3.2433  75.037  3.3084 84.616  5.5265 -9.578590      6.441113 
1 1 1 0  32 14 o 62.097  3.9528 40.127   3.0628  64.396  3.7654 59.797  6.9514 4.599045       7.905650 
1 1 1 0  32 16 o 85.778  3.2885 74.482   3.5889  85.080  3.3250 86.476  5.6747 -1.396805      6.577033 
1 1 1 0  32 18 o 41.621  6.0118 19.531   3.0937  45.434  5.3368 37.808  10.774 7.626106       12.02368 
1 1 1 0  32 20 o 48.235  4.4970 22.791   2.7582  41.748  4.9783 54.723  7.4905 -12.97436      8.993958 
1 1 1 0  32 22 o 25.631  6.6659 6.3573   3.2582  27.410  8.6674 23.851  10.130 3.558798       13.33173 
1 1 1 0  32 24 o 24.877  6.4039 6.5320   2.9691  26.278  8.5935 23.475  9.4970 2.802706       12.80786 
1 1 1 0  32 26 o 35.382  6.5246 16.562   3.3568  40.422  6.5699 30.342  11.275 10.07960       13.04926 
1 1 1 0  32 28 o 22.338  6.9391 3.5743   3.9758  21.621  8.7520 23.056  10.771 -1.435349      13.87815 
1 1 1 0  32 30 o 20.476  5.8981 3.5631   2.9030  22.590  8.1563 18.362  8.5220 4.228304       11.79619 
1 1 1 0  33 1  o 104.010 2.0657 108.966  3.0285  101.634 3.0674 106.385 2.7676 -4.750389      4.131442 
1 1 1 0  33 3  o 58.275  3.6224 34.524   2.9505  58.191  5.5559 58.359  4.6496 -0.1680183     7.244749 
1 1 1 0  33 5  o 78.137  2.4983 61.837   2.7396  81.776  3.2475 74.497  3.7973 7.278969       4.996572 
1 1 1 0  33 7  o 39.715  5.6525 17.804   2.9515  46.880  5.4186 32.550  9.9217 14.32995       11.30494 
1 1 1 0  33 9  f 45.608  5.3561 21.849   3.3574  40.884  7.9076 50.332  7.2263 -9.448589      10.71212 
1 1 1 0  33 11 o 67.155  3.5171 46.523   3.1083  69.333  3.7471 64.976  5.9531 4.357445       7.034173 
1 1 1 0  33 13 o 38.590  5.8909 17.584   2.9979  46.433  5.2220 30.746  10.561 15.68697       11.78176 
1 1 1 0  33 15 o 61.020  4.6311 40.588   3.5181  67.154  4.2985 54.887  8.2044 12.26703       9.262211 
1 1 1 0  33 17 o 24.961  6.9948 4.8821   3.6208  24.961  9.1684 24.962  10.566 -0.1008987E-02 13.98958 
1 1 1 0  33 19 o 22.265  6.2330 3.8047   2.9258  22.814  8.5030 21.716  9.1161 1.098557       12.46610 
1 1 1 0  33 21 o 20.317  6.2878 0.5127   3.3084  17.219  7.7655 23.415  9.8916 -6.196928      12.57565 
1 1 1 0  33 23 o 20.085  6.1790 1.2285   2.9854  15.479  7.0308 24.692  10.163 -9.213258      12.35801 
1 1 1 0  33 25 f 25.145  6.6931 7.6465   3.2848  26.401  9.0574 23.889  9.8566 2.511786       13.38618 
1 1 1 0  33 27 o 23.765  6.3875 6.5754   3.2494  27.901  9.3262 19.628  8.7307 8.272329       12.77507 
1 1 1 0  33 29 o 18.713  6.0736 1.4936   3.4399  16.585  7.5766 20.841  9.4947 -4.256664      12.14717 
1 1 1 0  34 0  o 86.700  3.4074 75.860   5.8887  86.700  3.4074 ?       ?      0.000000       0.000000 
1 1 1 0  34 2  o 92.512  2.4046 86.162   3.1334  90.352  3.2588 94.673  3.5369 -4.321098      4.809265 
1 1 1 0  34 4  o 89.924  2.6533 82.183   3.3325  87.285  4.1008 92.563  3.3680 -5.278252      5.306622 
1 1 1 0  34 6  f 81.404  2.5700 67.308   2.9398  84.031  3.3665 78.777  3.8842 5.254883       5.140014 
1 1 1 0  34 8  f 27.982  6.2652 8.1638   2.9369  31.566  7.5824 24.398  9.9758 7.167803       12.53030 
1 1 1 0  34 10 o 17.918  5.8125 -3.5425  3.1709  16.901  7.4689 18.934  8.9083 -2.032864      11.62507 
1 1 1 0  34 12 o 63.417  3.9838 40.817   3.1166  61.438  3.8527 65.396  6.9742 -3.957886      7.967615 
1 1 1 0  34 14 o 52.730  5.1617 32.117   3.0628  60.333  4.0190 45.127  9.5090 15.20605       10.32342 
1 1 1 0  34 16 o 60.491  3.9534 39.382   3.1495  65.145  4.1652 55.837  6.7207 9.308731       7.906713 
1 1 1 0  34 18 o 71.698  4.0604 55.333   3.6350  74.687  3.8649 68.708  7.1421 5.979057       8.120833 
1 1 1 0  34 20 o 68.770  3.5761 48.527   3.1709  64.968  3.8211 72.572  6.0459 -7.603584      7.152198 
1 1 1 0  34 22 o 31.831  6.9782 13.473   3.3087  31.002  8.3702 32.659  11.168 -1.657152      13.95644 
1 1 1 0  34 24 f 31.080  6.8031 12.520   3.5052  21.012  8.6662 41.147  10.489 -20.13472      13.60625 
1 1 1 0  34 26 o 17.982  5.8665 -0.5755  3.3410  17.313  7.6784 18.650  8.8715 -1.337145      11.73294 
1 1 1 0  35 1  o 60.970  3.3103 38.457   2.7640  63.684  3.8981 58.257  5.3514 5.427559       6.620648 
1 1 1 0  35 3  o 62.118  3.4928 39.717   3.0555  60.892  5.2146 63.344  4.6482 -2.452106      6.985501 
1 1 1 0  35 5  o 19.351  5.8041 -0.3384  2.9083  23.281  9.0909 15.420  7.2184 7.861027       11.60814 
1 1 1 0  35 7  f 75.478  2.9471 58.067   3.1250  73.215  3.9427 77.741  4.3815 -4.526054      5.894245 
1 1 1 0  35 9  o 39.168  6.2944 18.801   3.1166  46.822  4.9321 31.514  11.582 15.30733       12.58885 
1 1 1 0  35 11 o 55.731  6.8951 41.299   3.9228  69.795  4.1359 41.666  13.155 28.12840       13.79018 
1 1 1 0  35 13 o 46.730  5.8882 27.134   3.3254  57.585  4.8123 35.875  10.748 21.70905       11.77635 
1 1 1 0  35 15 o 23.300  6.7430 4.2533   3.4072  21.062  8.6157 25.539  10.375 -4.477808      13.48599 
1 1 1 0  35 17 o 25.212  7.1646 6.5237   3.7085  23.477  9.0380 26.948  11.119 -3.471275      14.32921 
1 1 1 0  35 19 o 18.845  6.0554 -1.2346  3.5528  19.230  8.2810 18.460  8.8373 0.7698574      12.11086 
1 1 1 0  35 21 f 19.578  6.2017 1.1892   3.3203  18.572  7.8748 20.584  9.5828 -2.012360      12.40331 
1 1 1 0  35 23 o 38.979  6.7002 20.613   3.6003  36.948  8.7233 41.010  10.172 -4.062790      13.40034 
1 1 1 0  35 25 f 33.437  7.6723 18.373   3.9763  29.026  9.6717 37.848  11.913 -8.821730      15.34465 
1 1 1 0  36 0  o 9.6944  6.8496 -4.6186  4.9650  9.6944  6.8496 ?       ?      0.000000       0.000000 
1 1 1 0  36 2  o 63.139  3.5341 42.022   3.0755  68.096  4.2391 58.182  5.6559 9.913292       7.068166 
1 1 1 0  36 4  o 59.182  3.7352 36.487   3.0791  60.198  5.7542 58.167  4.7642 2.031464       7.470490 
1 1 1 0  36 6  o 52.743  4.3826 29.695   3.2555  53.336  5.8451 52.150  6.5316 1.186008       8.765140 
1 1 1 0  36 8  o 67.675  3.4392 47.804   3.2897  67.812  4.7676 67.537  4.9580 0.2744751      6.878338 
1 1 1 0  36 10 o 31.256  6.9740 11.429   3.6716  35.884  7.6297 26.627  11.676 9.256876       13.94809 
1 1 1 0  36 12 o 47.465  5.5121 24.526   3.5355  42.078  6.8601 52.851  8.6296 -10.77308      11.02413 
1 1 1 0  36 14 o 64.377  4.4711 44.965   3.8029  60.805  5.0322 67.950  7.3918 -7.145092      8.942125 
1 1 1 0  36 16 o 52.911  5.3640 31.765   3.8557  46.603  6.8135 59.220  8.2864 -12.61769      10.72795 
1 1 1 0  36 18 o 19.042  5.7910 0.4532   3.0396  20.503  7.8450 17.580  8.5206 2.923437       11.58208 
1 1 1 0  36 20 o 22.665  6.6044 4.9895   3.6389  24.726  9.1553 20.604  9.5211 4.121389       13.20874 
1 1 1 0  36 22 o 17.922  5.8967 0.1347   3.4575  16.587  7.5773 19.257  9.0372 -2.669405      11.79348 
1 1 1 0  37 1  o 55.142  3.7721 31.972   2.9160  52.686  5.0406 57.599  5.6130 -4.913067      7.544112 
1 1 1 0  37 3  o 99.338  2.4017 100.534  3.3574  104.673 3.4748 94.002  3.3165 10.67068       4.803417 
1 1 1 0  37 5  o 56.663  4.4825 35.202   3.5503  61.339  5.7413 51.986  6.8853 9.353104       8.964935 
1 1 1 0  37 7  o 22.191  6.1827 3.9547   2.9743  26.880  9.6257 17.502  7.7621 9.377920       12.36541 
1 1 1 0  37 9  o 26.325  6.1215 7.8893   2.9976  19.000  8.2326 33.650  9.0616 -14.64963      12.24293 
1 1 1 0  37 11 o 41.231  7.0403 22.029   3.8472  38.425  8.3471 44.037  11.340 -5.611927      14.08070 
1 1 1 0  37 13 o 31.350  6.6570 13.427   3.4919  36.910  7.8941 25.790  10.721 11.12029       13.31406 
1 1 1 0  37 15 o 30.940  7.0119 13.267   3.4264  24.867  9.0043 37.014  10.751 -12.14711      14.02389 
1 1 1 0  37 17 o 18.138  6.1046 -2.8883  3.6193  13.735  6.6500 22.540  10.239 -8.805452      12.20919 
1 1 1 0  37 19 o 30.070  6.5219 14.213   3.3854  35.774  8.0954 24.365  10.228 11.40913       13.04385 
1 1 1 0  38 0  o 14.961  9.6762 1.8474   6.5815  14.961  9.6762 ?       ?      0.000000       0.000000 
1 1 1 0  38 2  o 27.677  6.0294 9.6774   2.7603  32.142  8.0842 23.212  8.9477 8.930180       12.05880 
1 1 1 0  38 4  f 56.853  3.9429 36.199   2.9845  62.394  4.2563 51.311  6.6384 11.08387       7.885704 
1 1 1 0  38 6  o 31.199  6.9357 13.341   3.4907  34.310  9.5705 28.087  10.041 6.223316       13.87135 
1 1 1 0  38 8  o 20.937  6.3246 3.5764   3.3194  20.628  8.8614 21.247  9.0266 -0.6190052     12.64923 
1 1 1 0  38 10 o 22.207  6.3296 5.6469   3.0587  21.611  8.8044 22.803  9.0960 -1.191145      12.65918 
1 1 1 0  38 12 o 22.469  6.1266 5.8102   2.8762  20.009  8.5684 24.930  8.7592 -4.920916      12.25322 
1 1 1 0  38 14 o 27.731  7.2131 12.330   3.7885  29.514  9.0875 25.948  11.204 3.565956       14.42621 
1 1 1 0  38 16 o 16.861  5.7876 -3.1380  3.3227  12.746  6.1871 20.976  9.7830 -8.230805      11.57529 
1 1 1 0  39 1  f 40.988  5.9184 21.530   3.3751  46.705  7.4167 35.271  9.2252 11.43383       11.83686 
1 1 1 0  39 3  o 25.534  5.5864 7.3337   2.8809  33.817  7.8304 17.252  7.9696 16.56538       11.17270 
1 1 1 0  39 5  o 15.135  5.0666 -4.5763  2.9083  12.904  6.3261 17.366  7.9161 -4.461623      10.13328 
1 1 1 0  39 7  o 21.537  6.6180 4.6186   3.7490  21.428  9.2624 21.646  9.4551 -0.2170582     13.23594 
1 1 1 0  39 9  o 18.597  5.9489 1.6017   3.3771  17.506  8.0961 19.688  8.7184 -2.181738      11.89776 
1 1 1 0  39 11 o 16.230  5.3151 -1.2418  2.9262  16.113  7.5803 16.347  7.4525 -0.2337513     10.63019 
1 1 1 0  40 0  f 17.086  10.379 5.1959   6.4660  17.086  10.379 ?       ?      0.000000       0.000000 
1 1 1 0  40 2  o 26.587  6.5739 10.335   3.0555  24.967  9.0886 28.208  9.5005 -3.240871      13.14773 
1 1 1 1  1  2  o 725.491 11.801 5272.92  171.234 725.491 11.801 ?       ?      ?              ?        
1 1 1 1  1  4  o 528.698 3.3353 2800.58  24.773  535.688 4.3755 521.708 5.0350 13.98077       6.670612 
1 1 1 1  1  6  o 269.956 1.7014 728.840  6.4948  271.111 2.3850 268.801 2.4270 2.309784       3.402716 
1 1 1 1  1  8  o 147.214 1.0797 214.811  2.2279  138.194 1.4622 156.233 1.5890 -18.03918      2.159340 
1 1 1 1  1  10 o 141.946 1.0495 201.212  2.1037  138.611 1.4578 145.281 1.5101 -6.669998      2.098901 
1 1 1 1  1  12 o 277.867 1.7704 772.156  6.9557  278.064 2.5330 277.670 2.4742 0.3941345      3.540875 
1 1 1 1  1  14 o 255.847 1.6996 654.711  6.1484  252.147 2.4270 259.548 2.3800 -7.401062      3.399261 
1 1 1 1  1  16 o 110.992 1.0492 123.140  1.6408  111.512 1.5532 110.472 1.4110 1.039726       2.098403 
1 1 1 1  1  18 o 721.870 4.1509 5212.91  42.374  717.157 5.8766 726.583 5.8639 -9.426086      8.301841 
1 1 1 1  1  20 o 905.960 5.1008 8213.11  65.352  906.860 7.2320 905.061 7.1953 1.799194       10.20167 
1 1 1 1  1  22 o 114.294 1.1705 131.232  1.8759  104.621 1.7658 123.967 1.5368 -19.34604      2.340954 
1 1 1 1  1  24 o 196.281 1.4668 385.352  4.0683  195.721 2.1238 196.840 2.0237 -1.118591      2.933604 
1 1 1 1  1  26 o 516.978 3.0720 2673.02  22.429  522.050 4.4567 511.905 4.2292 10.14560       6.143968 
1 1 1 1  1  28 o 166.214 1.4037 276.677  3.2816  164.423 2.1067 168.005 1.8556 -3.581421      2.807422 
1 1 1 1  1  30 o 271.682 2.0619 739.876  7.8245  269.063 3.1756 274.300 2.6309 -5.237457      4.123839 
1 1 1 1  1  32 o 72.117  2.0094 52.006   2.0458  73.234  2.9168 70.999  2.7647 2.235222       4.018843 
1 1 1 1  1  34 o 119.446 1.4776 142.928  2.4610  118.738 2.2852 120.154 1.8739 -1.416260      2.955292 
1 1 1 1  1  36 o 133.278 1.5298 178.603  2.8341  130.257 2.3934 136.298 1.9061 -6.041763      3.059644 
1 1 1 1  1  38 o 103.596 1.6505 107.154  2.3371  104.630 2.6485 102.561 1.9702 2.068596       3.300947 
1 1 1 1  1  40 o 63.725  2.3862 39.350   2.0784  71.918  3.6124 55.533  3.1188 16.38499       4.772451 
1 1 1 1  1  42 o 27.464  5.8558 7.7900   2.4132  26.031  9.5954 28.897  6.7150 -2.865871      11.71164 
1 1 1 1  1  44 o 66.796  2.8747 44.544   2.4750  68.340  4.8997 65.252  3.0082 3.087502       5.749472 
1 1 1 1  1  46 o 18.922  5.2264 1.7144   2.1748  16.863  7.6411 20.982  7.1326 -4.119148      10.45276 
1 1 1 1  1  48 o 16.525  5.1371 -1.8139  2.4583  15.413  7.4444 17.637  7.0811 -2.224472      10.27424 
1 1 1 1  1  50 o 20.279  5.9394 3.3485   2.5402  21.735  9.4388 18.824  7.2123 2.911629       11.87883 
1 1 1 1  1  52 o 18.375  5.6233 2.1028   2.7523  17.684  8.3328 19.066  7.5532 -1.382713      11.24663 
1 1 1 1  2  1  o 665.013 7.5722 4428.39  71.197  662.614 10.586 667.412 10.830 -4.798035      15.14444 
1 1 1 1  2  3  o 206.083 1.5811 425.685  4.5750  209.655 2.0653 202.510 2.3947 7.144928       3.162259 
1 1 1 1  2  5  o 517.770 3.2792 2674.11  23.642  510.985 4.1691 524.555 5.0627 -13.57034      6.558375 
1 1 1 1  2  7  o 235.486 1.7576 553.971  5.7738  234.187 2.2434 236.784 2.7064 -2.596649      3.515272 
1 1 1 1  2  9  o 481.995 2.8712 2323.47  19.571  481.528 4.0404 482.462 4.0805 -0.9335022     5.742409 
1 1 1 1  2  11 o 450.275 2.6973 2027.83  17.174  450.116 3.7837 450.435 3.8451 -0.3191833     5.394552 
1 1 1 1  2  13 o 220.587 1.4804 486.415  4.6157  223.020 2.1227 218.153 2.0642 4.867157       2.960872 
1 1 1 1  2  15 o 395.544 2.4098 1564.44  13.475  388.817 3.4002 402.270 3.4157 -13.45267      4.819596 
1 1 1 1  2  17 o 286.215 1.8755 818.713  7.5829  289.693 2.7103 282.736 2.5932 6.956970       3.751083 
1 1 1 1  2  19 o 1398.39 10.951 19595.17 216.370 1378.96 15.214 1417.82 15.754 -38.86084      21.90141 
1 1 1 1  2  21 o 341.145 2.1540 1163.67  10.387  343.310 3.0942 338.980 2.9975 4.330292       4.308030 
1 1 1 1  2  23 o 38.488  2.2809 14.710   1.2245  39.912  3.4716 37.064  2.9595 2.847839       4.561857 
1 1 1 1  2  25 f 187.194 1.4830 350.338  3.9224  188.596 2.1428 185.792 2.0509 2.804733       2.966089 
1 1 1 1  2  27 o 157.151 1.4514 246.405  3.1456  158.635 2.2928 155.667 1.7802 2.967270       2.902728 
1 1 1 1  2  29 o 314.691 2.2879 991.543  10.042  313.807 3.5323 315.574 2.9088 -1.767242      4.575835 
1 1 1 1  2  31 o 28.645  4.0128 8.6513   1.5246  25.805  6.8283 31.485  4.2173 -5.680918      8.025699 
1 1 1 1  2  33 o 72.328  1.8562 52.483   1.8403  71.721  2.9783 72.936  2.2163 -1.214386      3.712497 
1 1 1 1  2  35 o 140.227 1.4885 196.317  2.9160  142.009 2.2766 138.446 1.9182 3.562363       2.977005 
1 1 1 1  2  37 o 46.128  3.6012 23.324   1.9485  39.561  6.5669 52.694  2.9582 -13.13274      7.202430 
1 1 1 1  2  39 f 77.277  2.1262 59.923   2.1982  77.055  3.5214 77.500  2.3838 -0.4446945     4.252384 
1 1 1 1  2  41 o 23.524  5.2447 3.5476   2.1924  33.311  8.4705 13.737  6.1870 19.57467       10.48944 
1 1 1 1  2  43 o 24.885  5.8828 5.4308   2.4339  31.225  9.1904 18.545  7.3463 12.68055       11.76569 
1 1 1 1  2  45 o 59.466  3.3028 36.670   2.4286  57.379  5.8357 61.553  3.0952 -4.173691      6.605699 
1 1 1 1  2  47 o 24.581  6.0577 6.2004   2.5158  25.784  9.2770 23.377  7.7923 2.407133       12.11537 
1 1 1 1  2  49 o 30.764  6.2821 10.590   2.6546  38.054  10.024 23.475  7.5744 14.57915       12.56416 
1 1 1 1  2  51 o 29.821  6.4253 11.887   2.7340  28.664  11.062 30.978  6.5395 -2.313627      12.85056 
1 1 1 1  3  0  f 536.333 4.5756 2877.49  49.072  536.333 4.5756 ?       ?      0.000000       0.000000 
1 1 1 1  3  2  o 419.422 2.5885 1757.42  15.335  428.064 3.7224 410.780 3.5979 17.28403       5.176965 
1 1 1 1  3  4  o 441.113 3.4329 1923.47  19.730  430.154 3.6774 452.071 5.7979 -21.91693      6.865767 
1 1 1 1  3  6  o 939.065 7.6966 8825.41  102.200 943.404 10.966 934.726 10.803 8.679077       15.39328 
1 1 1 1  3  8  o 661.724 4.1495 4384.01  38.539  666.198 5.4249 657.250 6.2805 8.947266       8.299034 
1 1 1 1  3  10 o 247.082 1.5941 609.665  5.5591  242.374 2.1914 251.789 2.3158 -9.415115      3.188286 
1 1 1 1  3  12 o 295.501 1.8582 873.185  7.7623  294.300 2.5894 296.702 2.6658 -2.401886      3.716360 
1 1 1 1  3  14 o 42.702  1.0624 18.359   0.6351  39.186  1.6206 46.217  1.3741 -7.030361      2.124718 
1 1 1 1  3  16 o 411.833 2.5275 1695.95  14.716  407.202 3.5444 416.465 3.6042 -9.262207      5.055066 
1 1 1 1  3  18 o 254.135 1.7027 645.570  6.1147  251.376 2.3656 256.895 2.4496 -5.519318      3.405321 
1 1 1 1  3  20 o 579.445 3.3575 3357.16  27.480  583.644 4.8667 575.246 4.6266 8.397766       6.714968 
1 1 1 1  3  22 o 202.443 1.4710 407.362  4.1757  210.612 2.1929 194.275 1.9613 16.33752       2.942056 
1 1 1 1  3  24 o 223.386 1.5900 499.026  5.0220  219.781 2.2591 226.991 2.2382 -7.209854      3.180051 
1 1 1 1  3  26 o 345.640 2.3871 1194.67  11.465  346.366 3.7170 344.914 2.9961 1.451752       4.774165 
1 1 1 1  3  28 o 270.254 2.0994 731.641  7.8729  268.764 3.2865 271.743 2.6132 -2.978455      4.198801 
1 1 1 1  3  30 o 142.769 1.5466 203.930  3.1079  142.893 2.0605 142.644 2.3070 0.2489166      3.093185 
1 1 1 1  3  32 o 110.289 1.5231 121.985  2.3614  108.166 2.2951 112.413 2.0029 -4.246613      3.046162 
1 1 1 1  3  34 o 134.120 1.4835 179.721  2.7640  135.057 2.3083 133.183 1.8640 1.874176       2.966936 
1 1 1 1  3  36 o 126.994 1.5176 161.223  2.6827  127.710 2.3507 126.278 1.9202 1.431519       3.035275 
1 1 1 1  3  38 o 71.595  2.1254 50.165   2.0097  75.542  3.5155 67.649  2.3896 7.893196       4.250733 
1 1 1 1  3  40 o 43.786  3.1534 18.787   1.9018  48.805  4.7317 38.767  4.1698 10.03746       6.306804 
1 1 1 1  3  42 o 16.641  5.2605 -1.3259  2.3040  18.399  8.2996 14.882  6.4659 3.516712       10.52098 
1 1 1 1  3  44 o 18.390  5.5520 -0.8275  2.4697  23.707  9.2601 13.074  6.1278 10.63357       11.10403 
1 1 1 1  3  46 f 31.994  5.6167 11.056   2.3815  33.743  9.1715 30.245  6.4864 3.497553       11.23339 
1 1 1 1  3  48 o 25.306  5.8767 6.6120   2.6546  21.526  9.4285 29.085  7.0177 -7.559313      11.75349 
1 1 1 1  3  50 o 17.410  5.5096 -0.7225  2.7668  17.262  8.2359 17.558  7.3207 -0.2967758     11.01914 
1 1 1 1  3  52 o 16.803  5.3983 0.6397   2.5910  17.872  8.3838 15.734  6.8027 2.138308       10.79652 
1 1 1 1  4  3  o 696.123 4.1280 4844.33  40.617  709.218 5.8773 683.029 5.7983 26.18854       8.256101 
1 1 1 1  4  5  o 606.441 4.4825 3663.24  36.232  600.037 5.0128 612.846 7.4327 -12.80902      8.965072 
1 1 1 1  4  7  o 1245.56 14.096 15558.94 248.305 1245.24 19.996 1245.89 19.874 -0.6549072     28.19287 
1 1 1 1  4  9  o 465.770 2.9278 2171.73  18.703  467.244 3.5091 464.297 4.6877 2.947021       5.855650 
1 1 1 1  4  11 o 529.340 3.3541 2797.17  24.763  523.763 4.2878 534.917 5.1589 -11.15430      6.708191 
1 1 1 1  4  13 o 288.091 1.8280 830.045  7.4470  291.337 2.5761 284.845 2.5943 6.492188       3.656066 
1 1 1 1  4  15 o 96.588  0.9713 92.605   1.3178  89.386  1.3563 103.790 1.3906 -14.40427      1.942536 
1 1 1 1  4  17 o 252.736 1.7202 638.110  6.1418  244.364 2.4334 261.107 2.4322 -16.74271      3.440492 
1 1 1 1  4  19 o 1302.64 9.3739 16997.30 169.643 1300.01 11.755 1305.28 14.605 -5.269165      18.74783 
1 1 1 1  4  21 o 595.633 3.4305 3548.86  28.893  587.570 4.8735 603.695 4.8294 -16.12451      6.861052 
1 1 1 1  4  23 o 52.498  1.5982 28.116   1.1431  48.648  2.6108 56.347  1.8442 -7.699196      3.196494 
1 1 1 1  4  25 o 211.021 1.7285 444.321  5.0733  213.423 2.6780 208.619 2.1862 4.804123       3.457055 
1 1 1 1  4  27 o 115.898 1.3088 134.694  2.1299  113.555 1.9828 118.240 1.7089 -4.684601      2.617605 
1 1 1 1  4  29 o 435.879 3.0186 1903.12  18.568  437.965 4.0996 433.793 4.4318 4.172577       6.037174 
1 1 1 1  4  31 o 61.298  2.0089 38.144   1.6791  58.231  3.2717 64.365  2.3321 -6.133606      4.017809 
1 1 1 1  4  33 o 15.582  4.2880 -0.1283  1.5395  20.778  7.0166 10.385  4.9310 10.39304       8.575975 
1 1 1 1  4  35 o 70.211  1.9936 50.615   1.8614  65.387  3.3551 75.034  2.1543 -9.647552      3.987257 
1 1 1 1  4  37 o 108.981 1.5864 118.698  2.3753  109.703 2.5260 108.260 1.9198 1.443832       3.172771 
1 1 1 1  4  39 o 87.806  1.9007 75.984   2.3163  94.486  2.8718 81.126  2.4907 13.35983       3.801428 
1 1 1 1  4  41 o 65.802  2.5407 42.806   2.2095  68.428  4.2185 63.176  2.8329 5.251835       5.081429 
1 1 1 1  4  43 o 87.182  2.2782 74.615   2.5679  91.498  3.8489 82.866  2.4384 8.631195       4.556325 
1 1 1 1  4  45 o 53.190  3.8484 30.724   2.4286  48.044  6.9697 58.336  3.2658 -10.29256      7.696867 
1 1 1 1  4  47 o 58.950  3.3927 37.149   2.5302  54.391  5.9440 63.508  3.2726 -9.116299      6.785326 
1 1 1 1  4  49 o 13.494  4.6920 -7.7579  2.6666  14.929  7.4003 12.059  5.7701 2.869987       9.383959 
1 1 1 1  4  51 o 16.915  5.3798 -0.9676  2.8300  15.523  7.4383 18.306  7.7745 -2.783044      10.75970 
1 1 1 1  5  0  f 909.250 8.6052 8272.00  156.454 909.250 8.6052 ?       ?      0.000000       0.000000 
1 1 1 1  5  2  o 1314.14 21.026 17328.35 552.614 1314.14 21.026 ?       ?      ?              ?        
1 1 1 1  5  4  o 490.214 3.2188 2404.96  22.166  492.551 4.2313 487.878 4.8517 4.672821       6.437605 
1 1 1 1  5  6  o 835.972 4.8149 6990.75  56.923  833.514 6.8017 838.429 6.8169 -4.914734      9.629818 
1 1 1 1  5  8  o 413.087 2.8100 1707.56  16.200  414.253 3.5817 411.921 4.3308 2.331482       5.619952 
1 1 1 1  5  10 o 479.546 3.1471 2300.31  21.138  479.592 4.0808 479.499 4.7920 0.9368896E-01  6.294125 
1 1 1 1  5  12 o 124.128 1.0690 152.807  1.7590  121.664 1.1863 126.592 1.7786 -4.927666      2.137928 
1 1 1 1  5  14 o 407.487 2.5578 1664.55  14.401  411.038 3.1321 403.937 4.0448 7.101105       5.115697 
1 1 1 1  5  16 o 770.297 4.3509 5935.85  47.388  775.451 6.2017 765.143 6.1041 10.30829       8.701807 
1 1 1 1  5  18 o 529.478 3.1260 2801.25  23.376  538.562 4.5130 520.395 4.3266 18.16730       6.251957 
1 1 1 1  5  20 o 488.588 2.9120 2387.74  20.118  488.687 4.1584 488.488 4.0774 0.1985168      5.823905 
1 1 1 1  5  22 o 45.734  1.7252 21.145   1.0848  43.776  2.7695 47.691  2.0579 -3.914558      3.450372 
1 1 1 1  5  24 o 67.535  1.4481 45.096   1.3639  71.595  2.1772 63.476  1.9100 8.118595       2.896255 
1 1 1 1  5  26 o 83.355  1.3572 69.892   1.5871  78.368  2.0627 88.342  1.7645 -9.974052      2.714433 
1 1 1 1  5  28 o 238.843 1.9174 570.539  6.4408  238.174 2.5452 239.513 2.8684 -1.339203      3.834767 
1 1 1 1  5  30 o 226.503 1.6765 513.132  5.3635  227.633 2.4348 225.372 2.3055 2.261307       3.353098 
1 1 1 1  5  32 o 246.211 1.7741 606.578  6.1752  247.626 2.5413 244.796 2.4763 2.829819       3.548245 
1 1 1 1  5  34 o 140.204 1.7487 196.694  3.4553  139.798 2.3539 140.609 2.5867 -0.8107758     3.497425 
1 1 1 1  5  36 o 61.643  2.3285 36.896   1.8870  65.963  3.8510 57.324  2.6185 8.638779       4.656911 
1 1 1 1  5  38 o 165.309 1.7409 273.666  4.0683  166.734 2.4930 163.883 2.4307 2.851517       3.481887 
1 1 1 1  5  40 o 139.131 1.6320 193.438  3.1727  141.280 2.4927 136.982 2.1073 4.297928       3.264081 
1 1 1 1  5  42 f 88.738  2.1653 79.502   2.5540  87.795  3.6167 89.680  2.3819 -1.885025      4.330562 
1 1 1 1  5  44 o 45.118  4.7003 20.965   2.5980  45.897  8.2221 44.338  4.5574 1.559620       9.400678 
1 1 1 1  5  46 o 71.813  2.6034 52.075   2.4697  72.980  4.3509 70.647  2.8602 2.332916       5.206836 
1 1 1 1  5  48 o 25.202  6.0873 6.8525   2.4114  25.665  9.9964 24.739  6.9492 0.9259949      12.17454 
1 1 1 1  5  50 o 29.820  6.3205 11.135   2.6603  32.717  10.202 26.922  7.4649 5.795887       12.64108 
1 1 1 1  5  52 o 18.240  6.0539 0.4025   3.1590  20.444  9.8682 16.037  7.0155 4.406721       12.10782 
1 1 1 1  6  1  o 1165.95 11.032 13391.45 157.384 1196.81 19.416 1135.10 10.482 61.71558       22.06493 
1 1 1 1  6  3  o 1057.35 6.4707 11205.92 96.351  1076.42 8.6136 1038.28 9.6584 38.13892       12.94133 
1 1 1 1  6  5  o 561.143 3.4412 3151.06  26.727  562.400 4.2499 559.886 5.4135 2.513733       6.882385 
1 1 1 1  6  7  o 319.664 2.0245 1021.23  9.1352  316.586 2.7719 322.743 2.9515 -6.156372      4.049033 
1 1 1 1  6  9  o 542.394 3.5108 2941.82  26.657  541.154 4.5447 543.635 5.3523 -2.480347      7.021528 
1 1 1 1  6  11 o 244.949 1.6254 600.193  5.6288  247.553 2.2622 242.344 2.3346 5.209030       3.250800 
1 1 1 1  6  13 o 415.419 2.6395 1721.68  14.974  411.780 3.1405 419.058 4.2432 -7.277618      5.278996 
1 1 1 1  6  15 f 440.976 2.7239 1953.65  16.668  450.013 3.3740 431.939 4.2771 18.07382       5.447705 
1 1 1 1  6  17 o 344.354 2.2051 1189.57  10.545  349.287 2.7438 339.422 3.4528 9.865326       4.410241 
1 1 1 1  6  19 o 400.726 2.6547 1608.70  14.996  408.659 3.5601 392.793 3.9390 15.86673       5.309434 
1 1 1 1  6  21 o 207.895 1.4920 431.057  4.3687  213.281 2.1926 202.509 2.0241 10.77240       2.984012 
1 1 1 1  6  23 o 137.042 1.2213 187.709  2.3656  133.904 1.7246 140.180 1.7297 -6.276443      2.442584 
1 1 1 1  6  25 o 131.574 1.2753 173.473  2.3656  128.173 1.8918 134.975 1.7109 -6.801971      2.550700 
1 1 1 1  6  27 o 261.852 1.8639 685.529  6.8844  263.699 2.7367 260.005 2.5313 3.694397       3.727827 
1 1 1 1  6  29 o 20.578  4.2116 4.1617   1.3053  24.234  6.1749 16.923  5.7290 7.311695       8.423235 
1 1 1 1  6  31 o 101.336 1.6466 102.971  2.2169  100.810 2.7489 101.863 1.8137 -1.052055      3.293273 
1 1 1 1  6  33 o 156.800 1.4988 244.655  3.2772  161.225 2.2918 152.375 1.9323 8.849167       2.997650 
1 1 1 1  6  35 o 91.191  1.7763 81.042   2.1485  96.990  2.9167 85.392  2.0283 11.59822       3.552566 
1 1 1 1  6  37 o 101.303 1.7240 101.819  2.3772  104.238 2.7692 98.369  2.0541 5.869804       3.447931 
1 1 1 1  6  39 o 79.711  1.9988 63.180   2.2146  82.691  3.0720 76.732  2.5581 5.958710       3.997617 
1 1 1 1  6  41 o 66.467  2.4563 43.687   2.2386  70.431  3.8526 62.502  3.0482 7.928818       4.912607 
1 1 1 1  6  43 o 34.211  5.0909 12.516   2.3176  31.998  8.6387 36.425  5.3889 -4.426855      10.18177 
1 1 1 1  6  45 o 36.426  5.0516 14.304   2.2414  35.120  9.0003 37.732  4.5902 -2.612587      10.10320 
1 1 1 1  6  47 f 28.185  5.8007 9.0505   2.4370  25.228  9.8364 31.142  6.1512 -5.913631      11.60135 
1 1 1 1  6  49 o 23.170  5.9017 5.5927   2.3040  29.108  9.5865 17.232  6.8860 11.87623       11.80333 
1 1 1 1  6  51 o 28.628  6.6841 10.946   2.7639  27.943  11.695 29.314  6.4753 -1.371759      13.36829 
1 1 1 1  7  4  o 1279.11 12.578 16384.05 215.636 1274.87 14.206 1283.36 20.761 -8.496704      25.15576 
1 1 1 1  7  6  o 387.540 2.4918 1504.18  13.338  389.714 3.0517 385.366 3.9400 4.348328       4.983645 
1 1 1 1  7  8  o 740.185 4.6231 5480.78  47.981  738.968 6.0313 741.401 7.0082 -2.432739      9.246174 
1 1 1 1  7  10 o 530.821 3.1686 2817.67  23.766  526.504 4.3861 535.138 4.5742 -8.634216      6.337301 
1 1 1 1  7  12 o 508.893 2.9842 2590.90  21.476  508.621 4.2111 509.164 4.2293 -0.5432739     5.968307 
1 1 1 1  7  14 o 332.378 2.2202 1093.03  9.9161  322.793 2.5576 341.964 3.6298 -19.17108      4.440313 
1 1 1 1  7  16 o 390.569 2.4368 1521.32  13.102  386.488 2.9726 394.648 3.8620 -8.159973      4.873535 
1 1 1 1  7  18 f 797.586 4.6360 6362.21  50.985  796.286 5.6624 798.885 7.3422 -2.598328      9.272066 
1 1 1 1  7  20 o 230.577 1.6516 531.132  5.1507  229.855 1.9089 231.300 2.6957 -1.444992      3.303099 
1 1 1 1  7  22 o 244.450 1.7249 597.814  5.8296  244.738 2.1231 244.162 2.7192 0.5752563      3.449825 
1 1 1 1  7  24 o 146.098 1.3942 214.271  2.8341  148.807 1.7459 143.389 2.1742 5.417694       2.788385 
1 1 1 1  7  26 o 158.141 1.4647 248.277  3.1880  162.444 2.3101 153.839 1.8013 8.605194       2.929392 
1 1 1 1  7  28 o 15.050  4.2352 1.0809   1.3414  16.679  6.3986 13.421  5.5504 3.257954       8.470438 
1 1 1 1  7  30 o 91.879  1.4739 84.273   1.8772  92.722  2.3038 91.036  1.8391 1.686760       2.947806 
1 1 1 1  7  32 o 70.443  1.7817 50.539   1.7146  65.765  2.8969 75.120  2.0750 -9.354393      3.563416 
1 1 1 1  7  34 o 162.653 1.5692 264.136  3.5896  165.803 2.3329 159.504 2.0993 6.298889       3.138419 
1 1 1 1  7  36 o 24.756  4.4590 6.4093   1.6439  20.563  7.5249 28.949  4.7862 -8.386274      8.918036 
1 1 1 1  7  38 o 104.283 1.8071 108.011  2.5942  107.548 2.8451 101.017 2.2289 6.530678       3.614184 
1 1 1 1  7  40 o 47.289  3.2311 22.656   2.0183  46.774  5.4308 47.803  3.5024 -1.028484      6.462212 
1 1 1 1  7  42 o 15.944  5.0295 -1.0569  2.0724  18.143  8.0312 13.745  6.0566 4.398497       10.05899 
1 1 1 1  7  44 o 33.575  5.3141 12.960   2.2695  27.992  9.6642 39.157  4.4232 -11.16410      10.62828 
1 1 1 1  7  46 o 23.529  6.0181 4.8647   2.5123  28.672  9.5005 18.386  7.3900 10.28592       12.03627 
1 1 1 1  7  48 o 56.390  3.4376 32.306   2.5815  61.053  5.5791 51.728  4.0179 9.324539       6.875299 
1 1 1 1  7  50 o 20.965  6.3390 3.4971   3.3362  20.669  9.4205 21.260  8.4843 -0.5908833     12.67797 
1 1 1 1  8  1  o 337.515 2.2557 1137.91  10.745  342.944 3.2827 332.086 3.0945 10.85852       4.511310 
1 1 1 1  8  3  o 562.577 3.3916 3161.81  26.948  574.798 4.8813 550.355 4.7100 24.44293       6.783198 
1 1 1 1  8  5  o 830.746 5.0055 6920.04  57.554  837.959 6.1662 823.533 7.8866 14.42651       10.01104 
1 1 1 1  8  7  o 550.385 3.4366 3026.55  25.844  548.124 4.0867 552.646 5.5262 -4.521667      6.873141 
1 1 1 1  8  9  o 164.765 1.2386 270.893  2.8762  161.034 1.6850 168.496 1.8160 -7.462067      2.477284 
1 1 1 1  8  11 o 339.046 2.1493 1149.76  10.304  338.484 3.0189 339.607 3.0600 -1.122498      4.298520 
1 1 1 1  8  13 o 146.741 1.1701 215.568  2.4234  144.322 1.7201 149.161 1.5869 -4.839508      2.340298 
1 1 1 1  8  15 f 1042.14 6.3325 10836.32 91.980  1025.95 8.0919 1058.32 9.7428 -32.36084      12.66496 
1 1 1 1  8  17 o 408.479 2.7020 1657.94  14.915  400.882 3.1395 416.076 4.3985 -15.19397      5.404004 
1 1 1 1  8  19 o 289.331 1.9532 842.399  7.8486  298.044 2.4213 280.618 3.0654 17.42554       3.906333 
1 1 1 1  8  21 o 534.045 3.2534 2845.06  23.892  528.354 3.9555 539.737 5.1664 -11.38263      6.506706 
1 1 1 1  8  23 o 119.319 1.4292 143.531  2.3163  122.322 1.6519 116.317 2.3328 6.005005       2.858431 
1 1 1 1  8  25 o 338.546 2.2635 1145.06  10.596  336.597 2.7957 340.496 3.5606 -3.898102      4.527053 
1 1 1 1  8  27 o 259.823 1.9419 677.339  6.9863  263.004 2.3927 256.642 3.0594 6.361633       3.883883 
1 1 1 1  8  29 o 224.338 2.5370 508.657  6.7097  227.541 2.2074 221.135 4.5688 6.405960       5.074070 
1 1 1 1  8  31 o 63.359  1.8542 40.267   1.6206  63.913  2.2583 62.806  2.9415 1.106728       3.708389 
1 1 1 1  8  33 o 83.405  2.2490 68.075   2.5540  77.443  2.7583 89.368  3.5530 -11.92546      4.498030 
1 1 1 1  8  35 o 100.612 1.8885 101.322  2.6768  101.120 2.7975 100.103 2.5376 1.017059       3.776994 
1 1 1 1  8  37 f 103.270 1.8762 105.950  2.7055  108.025 2.8325 98.514  2.4613 9.510788       3.752486 
1 1 1 1  8  39 o 15.076  4.7012 -1.6776  1.8797  19.043  7.7979 11.108  5.2534 7.934767       9.402401 
1 1 1 1  8  41 o 18.400  5.1680 1.8619   1.9485  18.687  7.9452 18.113  6.6110 0.5739841      10.33593 
1 1 1 1  8  43 o 21.401  5.5288 3.9378   2.1144  21.756  8.5463 21.046  7.0166 0.7094498      11.05766 
1 1 1 1  8  45 o 26.482  5.4704 7.5196   2.1610  23.141  9.4997 29.823  5.4274 -6.682680      10.94074 
1 1 1 1  8  47 o 20.526  6.1907 1.6837   3.1742  20.246  8.7416 20.807  8.7682 -0.5614586     12.38136 
1 1 1 1  8  49 o 22.661  6.7233 4.2968   3.5514  22.670  10.314 22.652  8.6281 0.1792145E-01  13.44667 
1 1 1 1  8  51 o 20.521  6.8142 3.2603   3.8657  24.009  11.307 17.033  7.6085 6.975962       13.62842 
1 1 1 1  9  0  o 299.010 2.9547 894.389  17.666  299.010 2.9547 ?       ?      0.000000       0.000000 
1 1 1 1  9  2  o 255.009 1.8091 649.903  6.5192  247.414 2.5668 262.603 2.5502 -15.18973      3.618275 
1 1 1 1  9  4  o 746.326 4.3597 5572.76  46.000  748.794 6.2451 743.857 6.0848 4.936340       8.719306 
1 1 1 1  9  6  o 602.766 3.7683 3618.64  31.077  593.687 4.5218 611.846 6.0295 -18.15912      7.536662 
1 1 1 1  9  8  o 54.402  1.3045 30.028   0.9679  57.162  1.5150 51.643  2.1241 5.519283       2.608971 
1 1 1 1  9  10 o 259.843 1.7359 675.047  6.3762  262.441 2.4858 257.244 2.4238 5.197266       3.471885 
1 1 1 1  9  12 o 128.471 1.1439 165.057  2.0784  128.269 1.6203 128.674 1.6152 -0.4044495     2.287870 
1 1 1 1  9  14 o 645.628 3.7527 4169.46  34.260  647.455 5.3501 643.802 5.2639 3.652832       7.505442 
1 1 1 1  9  16 o 220.866 1.6345 485.754  5.0817  211.954 2.2335 229.779 2.3869 -17.82463      3.268931 
1 1 1 1  9  18 f 455.877 2.7886 2089.83  17.772  471.397 3.5516 440.357 4.3002 31.03989       5.577260 
1 1 1 1  9  20 o 623.099 3.8080 3879.74  32.383  620.329 4.5138 625.869 6.1342 -5.539673      7.615922 
1 1 1 1  9  22 o 462.062 2.9197 2134.94  18.626  460.923 3.5823 463.201 4.6116 -2.277985      5.839466 
1 1 1 1  9  24 o 142.526 1.4536 204.691  2.8450  146.499 1.7340 138.554 2.3334 7.945511       2.907119 
1 1 1 1  9  26 o 307.102 2.1981 945.791  9.4421  311.243 2.8194 302.962 3.3729 8.281097       4.396107 
1 1 1 1  9  28 o 226.529 1.8742 514.948  5.8657  229.233 2.2918 223.825 2.9663 5.408112       3.748487 
1 1 1 1  9  30 o 181.301 1.7141 329.044  4.3755  181.754 2.2870 180.848 2.5539 0.9064331      3.428200 
1 1 1 1  9  32 f 185.515 1.8117 345.394  4.7228  189.570 2.3754 181.460 2.7361 8.108994       3.623409 
1 1 1 1  9  34 o 56.941  2.3173 32.233   1.7825  55.694  2.6952 58.187  3.7703 -2.493076      4.634548 
1 1 1 1  9  36 o 89.662  1.8256 80.075   2.2732  87.364  2.3129 91.959  2.8251 -4.594994      3.651125 
1 1 1 1  9  38 o 130.086 1.7088 169.913  3.0791  131.334 2.1100 128.839 2.6886 2.494781       3.417685 
1 1 1 1  9  40 o 19.868  5.3546 2.4248   2.2043  22.223  7.5788 17.514  7.5664 4.709372       10.70926 
1 1 1 1  9  42 o 67.634  2.4431 45.922   2.3292  64.507  3.4009 70.761  3.5083 -6.254005      4.886114 
1 1 1 1  9  44 o 30.887  5.2656 10.506   2.2625  31.988  6.7116 29.786  8.1154 2.202097       10.53117 
1 1 1 1  9  46 o 16.922  5.2214 -0.2267  2.3614  15.609  6.9880 18.235  7.7602 -2.625823      10.44285 
1 1 1 1  9  48 o 19.574  5.6150 3.0021   2.4825  17.598  7.6301 21.550  8.2398 -3.951788      11.23004 
1 1 1 1  9  50 o 16.330  5.0664 0.6898   2.1593  14.123  6.3262 18.537  7.9153 -4.414383      10.13275 
1 1 1 1  10 1  o 453.532 2.8980 2056.02  18.572  446.357 4.0354 460.707 4.1604 -14.35046      5.795991 
1 1 1 1  10 3  o 504.904 3.1215 2550.51  22.281  503.015 4.4876 506.793 4.3402 -3.778168      6.243095 
1 1 1 1  10 5  o 272.374 2.0194 738.813  7.6747  266.307 2.6015 278.441 3.0894 -12.13467      4.038798 
1 1 1 1  10 7  o 111.898 1.1611 125.246  1.7815  111.977 1.3920 111.820 1.8587 0.1569595      2.322164 
1 1 1 1  10 9  o 467.233 2.9885 2180.59  19.072  464.902 3.5516 469.564 4.8073 -4.662018      5.976953 
1 1 1 1  10 11 o 1087.74 6.6269 11831.52 100.772 1079.75 8.5443 1095.73 10.132 -15.98047      13.25376 
1 1 1 1  10 13 o 109.413 1.1932 119.307  1.8402  105.007 1.6494 113.819 1.7246 -8.811409      2.386344 
1 1 1 1  10 15 o 294.743 1.8911 868.756  7.8753  295.124 2.7387 294.361 2.6085 0.7625122      3.782148 
1 1 1 1  10 17 o 602.525 3.5062 3631.69  29.876  603.089 4.9683 601.960 4.9488 1.129395       7.012444 
1 1 1 1  10 19 o 179.020 1.4906 319.747  3.6054  177.798 1.7210 180.242 2.4343 -2.444489      2.981197 
1 1 1 1  10 21 o 200.074 1.5336 404.064  4.2223  207.406 1.8371 192.741 2.4562 14.66504       3.067218 
1 1 1 1  10 23 o 160.898 1.3869 259.280  3.0491  161.637 1.6430 160.159 2.2349 1.478699       2.773849 
1 1 1 1  10 25 o 24.547  3.9211 6.9349   1.2442  30.194  3.0593 18.901  7.2209 11.29265       7.842220 
1 1 1 1  10 27 o 143.029 1.4775 205.213  2.8719  144.268 1.7207 141.790 2.4023 2.477615       2.954983 
1 1 1 1  10 29 o 108.624 1.5176 118.257  2.2732  109.349 1.8479 107.899 2.4078 1.449806       3.035116 
1 1 1 1  10 31 o 122.710 1.6032 151.458  2.6909  124.864 1.8957 120.557 2.5859 4.306389       3.206362 
1 1 1 1  10 33 o 38.301  3.4220 15.149   1.6809  40.592  3.4134 36.009  5.9321 4.583168       6.844033 
1 1 1 1  10 35 o 28.762  4.5144 8.6747   1.7599  29.034  5.5673 28.489  7.1080 0.5452843      9.028743 
1 1 1 1  10 37 o 109.062 1.7676 119.287  2.6938  109.767 2.2616 108.358 2.7172 1.408646       3.535288 
1 1 1 1  10 39 o 104.977 1.8126 110.272  2.6594  103.606 2.3404 106.349 2.7686 -2.743340      3.625235 
1 1 1 1  10 41 o 29.488  5.1295 9.3760   2.1111  30.736  6.4087 28.240  8.0110 2.496105       10.25907 
1 1 1 1  10 43 o 49.707  3.7351 25.227   2.6189  47.624  5.2127 51.790  5.3507 -4.166603      7.470124 
1 1 1 1  10 45 o 17.212  5.3989 -1.1699  2.6189  15.732  7.1603 18.692  8.0823 -2.959888      10.79782 
1 1 1 1  10 47 o 28.762  6.7294 9.3342   3.1267  22.631  8.4894 34.894  10.444 -12.26303      13.45880 
1 1 1 1  10 49 o 24.280  6.1526 6.7717   2.9342  30.285  9.3562 18.274  7.9925 12.01047       12.30529 
1 1 1 1  11 0  o 477.080 4.2241 2277.08  40.297  477.080 4.2241 ?       ?      0.000000       0.000000 
1 1 1 1  11 2  o 89.579  1.5468 80.248   2.7712  ?       ?      89.579  1.5468 ?              ?        
1 1 1 1  11 4  o 332.434 2.1923 1105.50  10.305  330.003 3.1315 334.866 3.0688 -4.863098      4.384507 
1 1 1 1  11 6  o 455.310 2.8824 2068.30  18.119  450.510 3.5497 460.110 4.5422 -9.600647      5.764724 
1 1 1 1  11 8  o 415.733 2.6306 1727.80  15.120  414.781 3.2431 416.685 4.1427 -1.903992      5.261117 
1 1 1 1  11 10 o 334.354 2.2651 1115.28  10.394  331.425 2.7348 337.283 3.6117 -5.857910      4.530289 
1 1 1 1  11 12 o 272.741 1.9424 743.900  7.4441  272.637 2.5622 272.845 2.9200 -0.2087097     3.884769 
1 1 1 1  11 14 o 458.469 2.8096 2102.55  18.214  461.057 3.9318 455.881 4.0145 5.176392       5.619172 
1 1 1 1  11 16 o 401.443 2.4914 1611.63  14.142  396.512 3.5235 406.375 3.5232 -9.863617      4.982828 
1 1 1 1  11 18 o 742.033 4.2518 5504.62  44.569  725.663 5.9271 758.404 6.0975 -32.74103      8.503502 
1 1 1 1  11 20 o 216.003 1.6938 468.619  5.0230  219.309 2.0270 212.697 2.7143 6.611542       3.387641 
1 1 1 1  11 22 o 211.842 1.6174 449.244  4.6916  212.461 1.9293 211.222 2.5966 1.239258       3.234879 
1 1 1 1  11 24 o 263.429 2.2505 699.570  7.8606  268.333 2.4527 258.525 3.7740 9.807922       4.501008 
1 1 1 1  11 26 o 181.936 1.6759 331.101  4.2776  181.752 2.1917 182.121 2.5360 -0.3691101     3.351872 
1 1 1 1  11 28 o 117.047 1.5988 138.113  2.4520  119.058 1.6972 115.036 2.7100 4.021019       3.197626 
1 1 1 1  11 30 o 126.229 1.5165 161.083  2.6105  130.653 1.7675 121.806 2.4646 8.846542       3.032907 
1 1 1 1  11 32 o 20.063  4.8434 3.5302   1.6544  21.159  5.9994 18.967  7.6054 2.191658       9.686849 
1 1 1 1  11 34 o 91.706  1.7929 84.152   2.2732  91.377  2.2113 92.035  2.8228 -0.6575775     3.585804 
1 1 1 1  11 36 o 62.578  2.4082 39.964   2.0527  66.428  2.7811 58.728  3.9322 7.700516       4.816312 
1 1 1 1  11 38 o 73.688  2.2612 55.163   2.2732  76.703  2.6344 70.673  3.6760 6.029449       4.522491 
1 1 1 1  11 40 o 24.239  5.7974 5.6324   2.2980  21.535  7.4611 26.943  8.8754 -5.408285      11.59484 
1 1 1 1  11 42 o 42.835  4.0384 19.578   2.2625  47.829  4.3454 37.842  6.8082 9.987396       8.076768 
1 1 1 1  11 44 o 55.397  3.1540 31.620   2.4506  57.947  4.0848 52.847  4.8068 5.100197       6.307991 
1 1 1 1  11 46 o 41.512  4.5778 18.635   2.6842  40.088  6.6247 42.936  6.3197 -2.848305      9.155579 
1 1 1 1  11 48 o 33.119  6.0245 13.869   2.9083  27.498  8.8701 38.741  8.1548 -11.24290      12.04899 
1 1 1 1  11 50 o 21.352  6.4236 5.5837   3.2685  23.257  9.8615 19.447  8.2343 3.810843       12.84726 
1 1 1 1  12 1  o 633.486 3.7886 4012.20  33.907  644.635 5.4451 622.336 5.2692 22.29858       7.577174 
1 1 1 1  12 3  o 446.379 2.8398 1989.49  17.862  454.764 4.1767 437.995 3.8489 16.76874       5.679633 
1 1 1 1  12 5  o 324.011 2.3503 1044.08  10.559  316.135 2.9584 331.887 3.6530 -15.75195      4.700698 
1 1 1 1  12 7  o 698.873 4.2751 4889.60  41.107  700.416 5.1763 697.330 6.8054 3.086060       8.550297 
1 1 1 1  12 9  o 495.759 3.1446 2460.47  21.586  497.611 3.8866 493.906 4.9444 3.705658       6.289131 
1 1 1 1  12 11 o 388.509 2.5018 1512.40  13.433  391.444 3.0677 385.576 3.9529 5.867859       5.003601 
1 1 1 1  12 13 o 525.579 3.2081 2757.70  23.229  521.737 3.9172 529.420 5.0816 -7.683044      6.416166 
1 1 1 1  12 15 o 790.513 4.5626 6253.25  51.006  784.611 6.4751 796.416 6.4299 -11.80493      9.125257 
1 1 1 1  12 17 o 332.012 2.1026 1102.57  9.8722  330.604 2.9861 333.421 2.9609 -2.816956      4.205207 
1 1 1 1  12 19 o 206.158 1.7426 426.945  5.0475  197.209 2.6347 215.106 2.2813 -17.89674      3.485130 
1 1 1 1  12 21 o 432.771 2.9062 1878.25  17.591  438.430 3.7265 427.112 4.4606 11.31754       5.812381 
1 1 1 1  12 23 o 432.037 2.9454 1872.42  17.781  437.515 3.7607 426.559 4.5340 10.95615       5.890712 
1 1 1 1  12 25 o 298.058 2.1702 888.333  8.7952  297.384 2.5431 298.731 3.5173 -1.346802      4.340394 
1 1 1 1  12 27 o 159.379 1.8149 255.370  3.5375  160.621 1.6893 158.137 3.2127 2.484116       3.629767 
1 1 1 1  12 29 o 54.838  2.1808 29.754   1.6026  53.166  2.4975 56.509  3.5758 -3.342422      4.361624 
1 1 1 1  12 31 o 125.060 1.5986 155.619  2.7140  122.907 1.8789 127.213 2.5868 -4.306023      3.197138 
1 1 1 1  12 33 o 60.695  2.2436 35.904   1.8612  55.061  2.8310 66.330  3.4815 -11.26940      4.487270 
1 1 1 1  12 35 o 141.057 1.6575 199.464  3.2654  141.772 2.1175 140.341 2.5505 1.430710       3.314971 
1 1 1 1  12 37 o 129.922 2.1173 168.521  3.6135  128.550 2.2904 131.293 3.5617 -2.742905      4.234615 
1 1 1 1  12 39 o 80.879  2.2259 65.487   2.5074  79.146  2.8448 82.612  3.4243 -3.466202      4.451834 
1 1 1 1  12 41 o 41.456  4.5219 17.129   2.5302  38.076  5.4585 44.835  7.2108 -6.759407      9.043826 
1 1 1 1  12 43 o 15.627  4.9349 -3.1175  2.4167  17.384  7.2328 13.870  6.7157 3.513747       9.869847 
1 1 1 1  12 45 o 20.888  5.7871 2.5967   2.7085  24.527  8.5753 17.250  7.7733 7.277864       11.57411 
1 1 1 1  12 47 o 17.518  5.4775 0.2370   2.6739  17.526  7.4725 17.510  8.0109 0.1622581E-01  10.95506 
1 1 1 1  12 49 o 22.449  6.7765 4.2896   3.9859  20.931  9.8136 23.967  9.3475 -3.035475      13.55295 
1 1 1 1  13 0  o 293.032 2.6997 858.941  15.819  293.032 2.6997 ?       ?      0.000000       0.000000 
1 1 1 1  13 2  o 50.042  1.9204 25.078   1.3561  49.004  2.8275 51.081  2.5995 -2.076828      3.840835 
1 1 1 1  13 4  o 605.957 3.6411 3671.84  31.190  599.278 5.0962 612.636 5.2018 -13.35809      7.282176 
1 1 1 1  13 6  o 1125.99 6.5941 12650.34 101.871 1113.46 7.9640 1138.51 10.512 -25.04321      13.18812 
1 1 1 1  13 8  o 1107.56 6.4381 12269.06 98.318  1104.51 7.8666 1110.61 10.194 -6.100464      12.87616 
1 1 1 1  13 10 o 586.471 3.5720 3438.10  29.036  584.671 4.4434 588.270 5.5939 -3.598633      7.143964 
1 1 1 1  13 12 o 697.917 4.2279 4885.14  40.754  704.823 5.1685 691.011 6.6922 13.81232       8.455703 
1 1 1 1  13 14 f 632.175 3.8751 3997.24  33.827  631.403 4.7546 632.946 6.1203 -1.543152      7.750146 
1 1 1 1  13 16 o 307.792 2.0420 946.240  8.8773  299.401 2.8538 316.183 2.9215 -16.78268      4.084023 
1 1 1 1  13 18 o 264.637 1.9301 700.935  7.2124  261.854 2.8221 267.421 2.6338 -5.566132      3.860190 
1 1 1 1  13 20 o 325.728 2.1246 1061.11  9.7787  327.435 3.0679 324.021 2.9399 3.414368       4.249117 
1 1 1 1  13 22 o 339.081 2.6668 1149.96  12.773  342.639 3.8585 335.523 3.6822 7.116150       5.333543 
1 1 1 1  13 24 o 76.132  1.7366 60.155   1.6809  81.826  1.6933 70.439  3.0326 11.38756       3.473290 
1 1 1 1  13 26 o 65.727  2.0388 43.595   1.6035  66.577  1.8210 64.878  3.6484 1.698593       4.077634 
1 1 1 1  13 28 o 116.739 1.4610 134.977  2.3176  113.189 1.7342 120.288 2.3518 -7.099121      2.922009 
1 1 1 1  13 30 o 258.036 2.0067 665.693  7.0705  256.908 2.3820 259.163 3.2301 -2.255341      4.013413 
1 1 1 1  13 32 o 116.679 1.6464 135.620  2.5948  115.092 1.9061 118.265 2.6849 -3.173264      3.292713 
1 1 1 1  13 34 o 32.997  4.6606 12.024   2.0383  39.512  4.5295 26.482  8.1468 13.03003       9.321299 
1 1 1 1  13 36 o 94.532  1.8712 88.218   2.3737  90.791  2.1620 98.273  3.0548 -7.482513      3.742490 
1 1 1 1  13 38 o 18.031  4.9793 0.6928   2.0971  21.371  7.2467 14.692  6.8308 6.679354       9.958651 
1 1 1 1  13 40 o 22.599  5.4711 4.8372   2.1184  23.553  7.1875 21.646  8.2504 1.907621       10.94211 
1 1 1 1  13 42 o 15.056  4.8381 -3.8402  2.4125  16.747  7.1650 13.365  6.5032 3.382327       9.676197 
1 1 1 1  13 44 o 17.465  5.3790 -0.5668  2.5350  15.232  6.9818 19.699  8.1847 -4.467568      10.75800 
1 1 1 1  13 46 o 21.108  6.0601 3.6854   2.8100  20.584  8.2668 21.633  8.8634 -1.049564      12.12028 
1 1 1 1  13 48 o 22.704  6.4956 5.7252   3.2044  19.333  8.2574 26.075  10.029 -6.742760      12.99114 
1 1 1 1  14 1  o 296.529 2.0308 879.393  8.5146  296.296 2.9032 296.763 2.8403 -0.4678040     4.061513 
1 1 1 1  14 3  o 418.225 2.6985 1747.82  15.948  408.040 3.7918 428.411 3.8406 -20.37076      5.397093 
1 1 1 1  14 5  o 477.226 3.1710 2269.96  21.050  469.387 4.0219 485.065 4.9036 -15.67770      6.342041 
1 1 1 1  14 7  o 598.688 3.6705 3584.91  30.409  598.331 4.5350 599.045 5.7728 -0.7143555     7.341065 
1 1 1 1  14 9  o 245.901 1.8219 603.878  6.1890  244.530 2.2429 247.272 2.8718 -2.741333      3.643852 
1 1 1 1  14 11 o 251.236 1.8436 628.922  6.4236  247.229 2.3118 255.242 2.8726 -8.013489      3.687298 
1 1 1 1  14 13 o 331.437 2.3148 1085.52  10.266  321.175 2.6424 341.700 3.8015 -20.52502      4.629651 
1 1 1 1  14 15 o 227.926 1.7539 518.774  5.3879  226.944 2.0097 228.908 2.8752 -1.963791      3.507900 
1 1 1 1  14 17 o 304.767 2.6784 929.652  11.299  304.284 4.2120 305.249 3.3098 -0.9656372     5.356877 
1 1 1 1  14 19 o 255.789 2.0326 654.703  7.2952  255.252 3.0760 256.326 2.6577 -1.073364      4.065131 
1 1 1 1  14 21 o 633.348 4.8479 4028.51  40.947  636.406 5.3885 630.289 8.0605 6.117554       9.695769 
1 1 1 1  14 23 o 290.739 2.2944 845.489  9.1801  290.183 2.7853 291.294 3.6467 -1.111145      4.588758 
1 1 1 1  14 25 o 128.646 1.4688 167.008  2.4940  131.326 1.5826 125.966 2.4749 5.359840       2.937659 
1 1 1 1  14 27 o 12.525  4.1517 -2.5038  1.4220  8.5080  4.1017 16.541  7.2197 -8.033166      8.303459 
1 1 1 1  14 29 o 117.879 1.6332 139.763  2.4590  119.052 1.6488 116.706 2.8197 2.345818       3.266357 
1 1 1 1  14 31 o 46.645  2.8054 22.521   1.7036  50.132  2.8790 43.157  4.8159 6.975723       5.610799 
1 1 1 1  14 33 o 166.631 1.6974 274.918  3.7775  161.851 1.9262 171.410 2.7955 -9.559204      3.394851 
1 1 1 1  14 35 o 108.076 1.6971 115.956  2.4754  105.387 1.9721 110.766 2.7624 -5.379135      3.394145 
1 1 1 1  14 37 o 151.848 1.7359 229.835  3.5857  149.052 2.0528 154.644 2.7999 -5.592255      3.471851 
1 1 1 1  14 39 o 16.357  5.0939 -0.8586  2.1568  13.882  6.2221 18.833  8.0670 -4.951569      10.18777 
1 1 1 1  14 41 o 72.960  2.5113 53.672   2.5143  72.439  3.0285 73.481  4.0069 -1.041840      5.022696 
1 1 1 1  14 43 o 43.020  4.0950 19.253   2.4489  42.368  5.1780 43.671  6.3456 -1.302288      8.190093 
1 1 1 1  14 45 o 31.666  6.1697 11.903   2.8341  29.472  8.4031 33.861  9.0360 -4.388994      12.33943 
1 1 1 1  14 47 o 23.129  6.2047 6.1604   2.8311  24.183  8.2027 22.075  9.3117 2.107851       12.40940 
1 1 1 1  14 49 o 23.633  7.1272 7.7258   4.0405  27.798  11.323 19.468  8.6584 8.330725       14.25443 
1 1 1 1  15 0  o 1409.39 11.287 19883.35 318.105 1409.39 11.287 ?       ?      0.000000       0.000000 
1 1 1 1  15 2  o 870.748 5.0280 7584.65  61.891  863.207 7.0225 878.288 7.1977 -15.08038      10.05601 
1 1 1 1  15 4  o 409.146 2.5293 1674.24  14.635  410.197 3.5889 408.095 3.5650 2.101685       5.058622 
1 1 1 1  15 6  o 621.834 3.8316 3865.26  32.836  619.995 4.6745 623.672 6.0725 -3.676636      7.663281 
1 1 1 1  15 8  o 418.825 2.7943 1754.61  16.087  418.900 3.3766 418.750 4.4531 0.1497498      5.588528 
1 1 1 1  15 10 o 68.294  1.7196 46.733   1.6206  68.802  2.0978 67.786  2.7254 1.016121       3.439258 
1 1 1 1  15 12 o 223.837 1.7987 498.347  5.5252  219.548 2.1826 228.126 2.8597 -8.578613      3.597438 
1 1 1 1  15 14 o 202.859 1.5527 413.076  4.3741  206.347 1.9305 199.370 2.4324 6.977386       3.105393 
1 1 1 1  15 16 o 338.447 2.4348 1142.50  11.524  332.611 3.1590 344.282 3.7059 -11.67172      4.869635 
1 1 1 1  15 18 o 229.387 1.8477 521.451  5.6572  224.015 2.0875 234.759 3.0494 -10.74358      3.695495 
1 1 1 1  15 20 o 345.666 2.6046 1198.69  12.617  351.362 3.3684 339.970 3.9737 11.39230       5.209226 
1 1 1 1  15 22 o 197.270 1.6679 388.873  4.6258  199.020 2.4947 195.519 2.2146 3.500641       3.335856 
1 1 1 1  15 24 o 182.734 1.8756 334.611  4.7818  184.135 2.3829 181.333 2.8972 2.801559       3.751259 
1 1 1 1  15 26 o 215.617 1.7261 464.870  5.0516  215.094 2.0130 216.139 2.8046 -1.044159      3.452281 
1 1 1 1  15 28 o 137.677 1.6045 190.318  2.9509  138.870 1.7876 136.484 2.6649 2.386612       3.208934 
1 1 1 1  15 30 o 140.711 1.6251 197.666  2.9534  139.984 1.6909 141.438 2.7756 -1.453659      3.250136 
1 1 1 1  15 32 o 31.508  4.3256 10.282   1.7590  32.331  4.4642 30.685  7.4105 1.646151       8.651255 
1 1 1 1  15 34 f 161.230 1.6866 259.131  3.7045  158.856 1.9988 163.605 2.7171 -4.749100      3.373170 
1 1 1 1  15 36 o 121.345 1.7853 145.614  2.8855  117.210 2.0195 125.481 2.9446 -8.271423      3.570538 
1 1 1 1  15 38 o 13.989  4.7695 -5.7276  2.3600  11.820  5.6085 16.159  7.7160 -4.338402      9.538956 
1 1 1 1  15 40 o 26.395  5.3376 7.4646   2.0971  27.806  6.7108 24.983  8.3021 2.823502       10.67526 
1 1 1 1  15 42 o 25.370  5.1920 6.1966   2.4553  33.000  6.7063 17.740  7.9281 15.25994       10.38404 
1 1 1 1  15 44 o 42.516  4.3842 19.808   2.4845  45.144  4.9875 39.888  7.2119 5.256504       8.768466 
1 1 1 1  15 46 o 29.610  6.6340 11.206   2.9636  26.843  8.2430 32.377  10.397 -5.533985      13.26803 
1 1 1 1  15 48 o 14.717  5.0845 -7.7765  3.4601  16.002  7.6892 13.432  6.6545 2.569248       10.16891 
1 1 1 1  16 1  o 933.750 5.4189 8725.48  71.553  939.425 7.6880 928.076 7.6390 11.34979       10.83785 
1 1 1 1  16 3  o 684.366 3.9933 4683.70  38.634  673.646 5.6134 695.085 5.6812 -21.43872      7.986624 
1 1 1 1  16 5  o 653.473 4.1732 4264.45  38.162  646.199 5.4141 660.748 6.3521 -14.54883      8.346350 
1 1 1 1  16 7  o 598.568 3.7113 3580.59  30.537  596.183 4.4932 600.954 5.9082 -4.770752      7.422630 
1 1 1 1  16 9  o 522.138 3.2556 2727.63  23.451  522.219 3.9799 522.057 5.1533 0.1614380      6.511221 
1 1 1 1  16 11 o 678.627 4.2951 4606.02  39.599  677.184 5.0214 680.070 6.9696 -2.885986      8.590127 
1 1 1 1  16 13 o 148.757 1.6606 222.375  3.4399  152.446 2.0829 145.068 2.5868 7.378174       3.321128 
1 1 1 1  16 15 o 517.215 3.6923 2678.61  25.052  517.611 3.9595 516.820 6.2332 0.7916870      7.384524 
1 1 1 1  16 17 o 56.187  2.1948 32.144   1.6909  60.299  2.5851 52.075  3.5476 8.224136       4.389566 
1 1 1 1  16 19 f 124.761 1.8981 151.381  2.9122  119.063 1.8426 130.459 3.3190 -11.39581      3.796142 
1 1 1 1  16 21 o 243.829 2.1593 594.122  7.4363  250.855 3.0839 236.804 3.0231 14.05070       4.318517 
1 1 1 1  16 23 o 228.392 1.7962 521.675  5.7985  231.889 2.5643 224.894 2.5157 6.994888       3.592327 
1 1 1 1  16 25 o 144.944 1.5079 210.322  3.0884  142.673 2.1851 147.215 2.0785 -4.542297      3.015737 
1 1 1 1  16 27 o 68.231  1.9731 46.035   1.7764  66.303  2.1768 70.160  3.2915 -3.856552      3.946201 
1 1 1 1  16 29 o 96.825  1.7646 94.441   2.2095  98.101  1.8243 95.548  3.0211 2.553070       3.529211 
1 1 1 1  16 31 o 48.539  2.9050 23.441   1.7785  47.762  2.9010 49.315  5.0339 -1.552502      5.810016 
1 1 1 1  16 33 o 39.335  3.4689 15.416   1.8194  38.362  3.9128 40.308  5.7291 -1.945641      6.937787 
1 1 1 1  16 35 o 99.236  1.9515 97.252   2.6739  93.121  2.4799 105.351 3.0140 -12.23029      3.903075 
1 1 1 1  16 37 o 22.088  5.1059 4.5031   1.9485  24.869  6.2662 19.308  8.0632 5.561541       10.21178 
1 1 1 1  16 39 o 50.571  3.5877 26.534   2.3310  52.712  3.6143 48.431  6.1987 4.281067       7.175455 
1 1 1 1  16 41 o 111.677 2.0279 126.138  3.0508  112.572 2.3078 110.782 3.3353 1.790039       4.055852 
1 1 1 1  16 43 o 45.926  4.1932 21.566   2.6083  40.478  5.2771 51.373  6.5180 -10.89408      8.386448 
1 1 1 1  16 45 o 15.680  5.1487 -2.5513  2.6692  13.798  6.5069 17.561  7.9811 -3.762513      10.29743 
1 1 1 1  16 47 o 26.777  6.9986 9.9205   3.4270  23.406  8.9666 30.148  10.748 -6.742422      13.99729 
1 1 1 1  17 0  o 385.974 3.5157 1490.30  27.134  385.974 3.5157 ?       ?      0.000000       0.000000 
1 1 1 1  17 2  o 349.865 2.2345 1224.08  11.054  354.451 3.1598 345.278 3.1602 9.172974       4.468919 
1 1 1 1  17 4  o 101.963 1.3910 104.521  1.9880  97.773  2.1257 106.154 1.7947 -8.380585      2.782023 
1 1 1 1  17 6  o 254.773 1.8775 649.404  6.4780  255.018 2.1733 254.528 3.0621 0.4896088      3.754942 
1 1 1 1  17 8  o 360.505 2.4107 1300.77  12.151  361.746 3.0961 359.263 3.6960 2.483185       4.821456 
1 1 1 1  17 10 o 99.816  1.6733 100.766  2.2573  103.173 1.9025 96.459  2.7532 6.713860       3.346567 
1 1 1 1  17 12 o 514.371 3.2295 2651.10  23.130  517.492 4.0720 511.250 5.0138 6.242310       6.459072 
1 1 1 1  17 14 o 216.546 1.8433 469.986  5.4454  217.955 2.1720 215.138 2.9787 2.817230       3.686503 
1 1 1 1  17 16 o 266.530 1.9548 711.947  7.2865  269.409 2.5072 263.652 2.9999 5.756165       3.909681 
1 1 1 1  17 18 o 364.841 2.5475 1331.03  12.657  363.861 2.9988 365.822 4.1190 -1.960632      5.094967 
1 1 1 1  17 20 o 100.212 1.5804 99.781   2.1593  98.058  1.8840 102.366 2.5379 -4.307320      3.160778 
1 1 1 1  17 22 o 119.383 1.5653 142.417  2.5884  118.762 1.9445 120.005 2.4535 -1.243111      3.130617 
1 1 1 1  17 24 o 138.198 1.8473 191.219  3.5198  138.401 2.2525 137.995 2.9286 0.4060364      3.694638 
1 1 1 1  17 26 o 79.858  1.8297 64.045   2.0296  78.622  2.8638 81.095  2.2781 -2.473427      3.659386 
1 1 1 1  17 28 o 57.171  2.0059 33.145   1.5619  59.605  2.3246 54.737  3.2696 4.867771       4.011745 
1 1 1 1  17 30 o 94.449  1.7538 88.633   2.1193  93.020  1.7999 95.878  3.0107 -2.858856      3.507689 
1 1 1 1  17 32 o 16.564  5.0038 -1.6560  1.8601  9.6813  4.6815 23.447  8.8451 -13.76549      10.00760 
1 1 1 1  17 34 o 62.957  2.6343 38.606   2.1015  59.349  2.7237 66.564  4.5100 -7.215420      5.268697 
1 1 1 1  17 36 o 17.315  5.0800 0.9526   1.9485  16.546  6.4829 18.085  7.8228 -1.539141      10.15995 
1 1 1 1  17 38 o 58.113  3.0383 35.281   2.1810  61.560  2.8135 54.667  5.3860 6.893421       6.076573 
1 1 1 1  17 40 o 37.261  4.2155 14.103   2.1194  31.941  5.8186 42.581  6.1012 -10.64037      8.430917 
1 1 1 1  17 42 o 24.090  5.5854 5.8152   2.4562  28.429  7.2792 19.750  8.4734 8.678295       11.17076 
1 1 1 1  17 44 o 31.477  5.8029 12.663   2.6942  37.480  5.3912 25.475  10.278 12.00515       11.60584 
1 1 1 1  17 46 o 18.083  5.6506 1.3201   2.6926  16.240  7.1527 19.926  8.7496 -3.685818      11.30118 
1 1 1 1  18 1  o 324.122 2.1536 1050.39  9.8668  327.496 3.0850 320.749 3.0059 6.747314       4.307239 
1 1 1 1  18 3  o 331.996 2.2187 1098.49  10.362  342.076 3.2741 321.916 2.9950 20.15991       4.437327 
1 1 1 1  18 5  o 417.711 2.6632 1748.29  15.523  421.373 3.3841 414.049 4.1133 7.324188       5.326498 
1 1 1 1  18 7  o 619.645 4.0024 3844.63  34.572  620.674 5.0786 618.617 6.1874 2.057312       8.004814 
1 1 1 1  18 9  o 111.578 1.5559 124.817  2.3753  112.487 1.8477 110.670 2.5040 1.816772       3.111869 
1 1 1 1  18 11 o 39.333  4.0180 16.465   1.9398  43.371  3.7272 35.296  7.1194 8.074860       8.036004 
1 1 1 1  18 13 o 182.608 1.6760 335.406  4.2090  186.471 2.0124 178.745 2.6808 7.725555       3.352091 
1 1 1 1  18 15 o 124.779 1.4253 154.095  2.4553  119.694 1.7846 129.864 2.2228 -10.17037      2.850569 
1 1 1 1  18 17 o 33.899  3.8393 11.225   1.7825  30.932  4.8527 36.866  5.9508 -5.934284      7.678610 
1 1 1 1  18 19 o 336.217 2.3808 1131.73  11.051  336.540 2.9163 335.894 3.7641 0.6459351      4.761635 
1 1 1 1  18 21 o 349.856 2.5219 1227.42  12.143  351.719 3.0531 347.994 4.0148 3.725494       5.043781 
1 1 1 1  18 23 o 185.566 1.7232 344.510  4.3757  185.415 2.0550 185.717 2.7667 -0.3021851     3.446387 
1 1 1 1  18 25 o 139.283 1.5588 195.155  2.9845  142.031 1.8698 136.535 2.4947 5.495560       3.117673 
1 1 1 1  18 27 o 96.766  1.7087 93.723   2.3378  95.335  2.4223 98.196  2.4105 -2.861191      3.417315 
1 1 1 1  18 29 o 99.719  1.7004 99.412   2.2095  99.376  1.8009 100.062 2.8848 -0.6865005     3.400822 
1 1 1 1  18 31 f 73.692  2.0638 53.098   2.0097  69.503  2.3258 77.880  3.4100 -8.377144      4.127610 
1 1 1 1  18 33 o 124.730 1.6094 153.657  2.7334  119.178 1.9377 130.282 2.5702 -11.10436      3.218760 
1 1 1 1  18 35 o 25.267  5.3549 6.3698   1.9757  21.327  6.7641 29.207  8.3033 -7.880465      10.70971 
1 1 1 1  18 37 o 12.345  4.1759 -5.2054  1.9645  11.732  5.4632 12.958  6.3172 -1.226335      8.351896 
1 1 1 1  18 39 o 22.273  6.2343 2.6938   2.3774  14.846  6.3471 29.700  10.732 -14.85394      12.46864 
1 1 1 1  18 41 o 22.096  5.8172 4.5085   2.3737  21.865  7.4697 22.327  8.9198 -0.4620056     11.63444 
1 1 1 1  18 43 o 31.000  5.1535 11.987   2.6140  41.428  5.0168 20.572  9.0036 20.85663       10.30692 
1 1 1 1  18 45 o 23.137  5.9343 6.5206   2.5204  24.282  7.5387 21.991  9.1670 2.291519       11.86870 
1 1 1 1  18 47 o 25.086  8.8481 8.8908   5.5423  ?       ?      25.086  8.8481 ?              ?        
1 1 1 1  19 0  o 531.051 4.7299 2821.95  50.227  531.051 4.7299 ?       ?      0.000000       0.000000 
1 1 1 1  19 2  o 330.063 2.2132 1088.05  10.313  338.393 3.1904 321.734 3.0684 16.65854       4.426481 
1 1 1 1  19 4  o 53.886  2.8401 29.575   2.0752  57.051  3.2382 50.722  4.6667 6.328938       5.680146 
1 1 1 1  19 6  o 21.558  4.9566 4.1462   1.8614  24.726  6.4650 18.390  7.5150 6.336187       9.913182 
1 1 1 1  19 8  o 78.059  1.7859 61.307   1.8819  79.393  2.0361 76.724  2.9346 2.668930       3.571763 
1 1 1 1  19 10 o 183.206 1.6812 333.615  4.1381  180.111 1.9232 186.301 2.7580 -6.189774      3.362340 
1 1 1 1  19 12 o 244.810 1.8580 600.859  6.3896  249.107 2.4334 240.514 2.8084 8.593582       3.716047 
1 1 1 1  19 14 o 157.186 1.5461 247.113  3.3436  157.101 1.8742 157.272 2.4595 -0.1707458     3.092176 
1 1 1 1  19 16 o 229.350 1.9943 529.094  6.2696  233.648 2.3721 225.053 3.2066 8.594223       3.988604 
1 1 1 1  19 18 o 178.545 1.6252 322.534  4.0206  188.671 1.9890 168.418 2.5709 20.25319       3.250490 
1 1 1 1  19 20 o 156.205 1.6763 246.055  3.5629  160.101 1.9472 152.309 2.7291 7.792191       3.352602 
1 1 1 1  19 22 o 158.808 1.7397 253.712  3.7435  161.318 2.0041 156.298 2.8442 5.019470       3.479345 
1 1 1 1  19 24 o 216.974 1.8678 471.173  5.5951  216.829 2.2898 217.119 2.9515 -0.2893066     3.735593 
1 1 1 1  19 26 o 241.391 1.9497 585.019  6.5548  244.590 2.4548 238.191 3.0297 6.399643       3.899386 
1 1 1 1  19 28 o 62.128  2.3785 38.851   2.0719  63.765  3.0784 60.492  3.6266 3.272377       4.756966 
1 1 1 1  19 30 o 101.276 2.3995 101.299  2.6297  99.485  1.8570 103.066 4.4252 -3.580353      4.799026 
1 1 1 1  19 32 o 104.885 2.1927 110.461  2.7582  105.035 1.9787 104.736 3.9137 0.2988739      4.385442 
1 1 1 1  19 34 o 71.136  2.4030 50.211   2.1154  69.529  2.3249 72.743  4.2063 -3.213669      4.806101 
1 1 1 1  19 36 o 40.661  3.7328 15.869   1.9952  35.258  4.4210 46.065  6.0158 -10.80673      7.465580 
1 1 1 1  19 38 o 71.254  2.7783 49.354   2.4114  66.502  2.6912 76.005  4.8613 -9.502769      5.556548 
1 1 1 1  19 40 o 25.272  5.2165 6.6133   2.2695  30.870  5.8235 19.675  8.6565 11.19496       10.43301 
1 1 1 1  19 42 o 30.499  6.1992 10.826   2.5357  30.482  6.2756 30.516  10.693 -0.3429413E-01 12.39836 
1 1 1 1  19 44 o 18.674  5.6698 2.2465   2.4436  16.284  6.8579 21.063  9.0309 -4.779673      11.33964 
1 1 1 1  19 46 o 18.080  5.4995 2.4699   2.5038  18.008  7.2666 18.151  8.2567 -0.1429024     10.99891 
1 1 1 1  20 1  o 246.446 1.9879 609.297  6.8844  240.375 3.0022 252.517 2.6064 -12.14197      3.975709 
1 1 1 1  20 3  o 334.596 2.3075 1120.62  10.911  328.582 3.3383 340.610 3.1865 -12.02783      4.615022 
1 1 1 1  20 5  o 161.019 1.6236 259.225  3.6003  160.773 1.9750 161.265 2.5776 -0.4919281     3.247234 
1 1 1 1  20 7  o 381.165 2.5960 1448.40  13.391  377.080 3.0161 385.249 4.2260 -8.168457      5.191909 
1 1 1 1  20 9  o 271.588 1.9917 735.217  7.5087  267.212 2.5062 275.964 3.0962 -8.751465      3.983419 
1 1 1 1  20 11 o 203.197 1.7570 414.548  4.9203  206.076 2.1291 200.318 2.7956 5.757950       3.514038 
1 1 1 1  20 13 o 182.951 1.6824 334.724  4.2807  182.643 2.1178 183.258 2.6148 -0.6152954     3.364851 
1 1 1 1  20 15 o 151.660 1.6424 227.825  3.3666  147.390 1.9193 155.929 2.6658 -8.539581      3.284834 
1 1 1 1  20 17 o 136.964 1.5171 188.383  2.8923  139.583 1.9026 134.345 2.3635 5.237869       3.034154 
1 1 1 1  20 19 o 132.604 1.6124 175.626  2.9477  131.658 1.9733 133.550 2.5505 -1.891510      3.224728 
1 1 1 1  20 21 o 92.507  1.8283 84.285   2.3371  86.531  2.3352 98.484  2.8138 -11.95344      3.656562 
1 1 1 1  20 23 f 74.246  2.2439 55.691   2.2573  76.246  2.5744 72.247  3.6759 3.999176       4.487723 
1 1 1 1  20 25 o 196.483 1.8703 386.212  5.0110  195.936 2.2099 197.031 3.0180 -1.094818      3.740581 
1 1 1 1  20 27 f 98.107  1.9128 96.093   2.6444  94.265  2.6335 101.949 2.7748 -7.683960      3.825551 
1 1 1 1  20 29 o 18.168  4.8318 0.0943   2.0491  12.287  5.8732 24.049  7.6741 -11.76251      9.663693 
1 1 1 1  20 31 o 77.695  3.3409 58.664   2.4526  75.069  2.1534 80.320  6.3252 -5.251083      6.681727 
1 1 1 1  20 33 o 137.641 2.2747 186.514  3.4351  134.255 1.8061 141.027 4.1756 -6.772552      4.549425 
1 1 1 1  20 35 o 65.702  4.0814 42.448   2.6624  63.594  2.8143 67.811  7.6624 -4.217014      8.162868 
1 1 1 1  20 37 o 39.004  5.7736 14.144   2.3382  32.725  4.7632 45.282  10.519 -12.55698      11.54717 
1 1 1 1  20 39 o 46.416  6.9536 22.856   2.6000  45.954  3.5177 46.877  13.455 -0.9235497     13.90717 
1 1 1 1  20 41 o 25.579  6.3346 6.7378   2.4891  25.594  6.5214 25.564  10.862 0.2965546E-01  12.66925 
1 1 1 1  20 43 o 27.237  6.4915 9.2343   2.7625  28.398  6.7905 26.075  11.066 2.323298       12.98302 
1 1 1 1  20 45 o 15.338  5.1615 -3.0865  2.7537  14.418  6.4422 16.258  8.0661 -1.840014      10.32297 
1 1 1 1  21 0  o 108.454 2.1311 117.774  4.6186  108.454 2.1311 ?       ?      0.000000       0.000000 
1 1 1 1  21 2  o 462.177 3.2253 2140.81  21.019  455.858 4.7745 468.497 4.3377 -12.63831      6.450686 
1 1 1 1  21 4  o 430.794 4.5516 1826.92  20.945  422.063 3.4607 439.525 8.4196 -17.46191      9.103113 
1 1 1 1  21 6  o 38.694  3.2569 14.403   1.5900  35.949  3.3725 41.440  5.5727 -5.490704      6.513699 
1 1 1 1  21 8  o 350.821 2.5526 1230.71  12.492  349.229 3.2567 352.412 3.9317 -3.183167      5.105301 
1 1 1 1  21 10 o 178.777 1.6974 321.614  4.1991  183.338 2.0783 174.216 2.6842 9.121552       3.394751 
1 1 1 1  21 12 o 225.230 1.8564 508.452  5.8610  227.866 2.4069 222.594 2.8270 5.272018       3.712877 
1 1 1 1  21 14 o 276.064 2.1022 765.619  8.0711  281.249 2.6275 270.878 3.2822 10.37119       4.204337 
1 1 1 1  21 16 o 111.363 1.7169 124.415  2.6594  112.718 2.1512 110.007 2.6765 2.711281       3.433838 
1 1 1 1  21 18 o 216.582 2.0443 471.030  6.1352  219.577 2.5241 213.586 3.2166 5.991837       4.088679 
1 1 1 1  21 20 o 64.899  2.5044 41.249   2.1485  61.504  2.8160 68.295  4.1421 -6.791393      5.008738 
1 1 1 1  21 22 o 72.138  2.1490 51.572   2.1558  68.592  2.7775 75.685  3.2800 -7.093010      4.298071 
1 1 1 1  21 24 o 122.193 1.7924 148.792  3.0431  119.544 2.2698 124.843 2.7746 -5.299271      3.584782 
1 1 1 1  21 26 o 91.032  2.1230 82.996   2.6692  90.712  2.6094 91.352  3.3495 -0.6401749     4.245937 
1 1 1 1  21 28 o 140.316 1.8529 197.349  3.6476  140.726 2.4204 139.906 2.8060 0.8202667      3.705716 
1 1 1 1  21 30 o 111.281 1.8159 124.178  2.8575  111.459 2.5898 111.102 2.5462 0.3568573      3.631856 
1 1 1 1  21 32 o 99.682  2.6591 97.137   2.7712  96.478  1.9747 102.886 4.9379 -6.407585      5.318149 
1 1 1 1  21 34 o 78.381  3.7944 58.280   2.6184  73.860  2.2668 82.902  7.2424 -9.042618      7.588887 
1 1 1 1  21 36 o 44.726  7.2488 21.118   2.6255  44.641  3.6211 44.812  14.038 -0.1709824     14.49762 
1 1 1 1  21 38 o 41.757  6.1442 17.168   2.5393  37.490  4.4658 46.023  11.448 -8.532841      12.28850 
1 1 1 1  21 40 o 19.194  5.6913 1.8426   2.2900  17.881  6.6988 20.506  9.2027 -2.624573      11.38259 
1 1 1 1  21 42 o 19.623  6.4957 -1.8312  3.6688  14.112  6.7775 25.134  11.083 -11.02202      12.99131 
1 1 1 1  21 44 o 19.601  6.2055 1.0284   3.2867  19.362  7.5064 19.839  9.8838 -0.4767876     12.41107 
1 1 1 1  22 1  o 212.383 1.7402 450.854  5.2119  210.308 2.3608 214.458 2.5574 -4.150314      3.480489 
1 1 1 1  22 3  o 327.842 2.4683 1076.03  11.412  328.989 3.3342 326.695 3.6404 2.294067       4.936502 
1 1 1 1  22 5  o 473.564 3.2140 2248.24  20.642  475.104 3.7305 472.024 5.2348 3.080200       6.428031 
1 1 1 1  22 7  o 416.887 3.0034 1741.32  16.996  417.659 3.4972 416.115 4.8837 1.543854       6.006715 
1 1 1 1  22 9  o 239.106 2.1741 569.233  6.7841  236.493 2.3191 241.720 3.6781 -5.226379      4.348219 
1 1 1 1  22 11 o 300.156 2.6285 898.724  10.248  297.896 2.7713 302.415 4.4672 -4.519806      5.256976 
1 1 1 1  22 13 o 283.044 2.2267 803.276  8.6125  284.529 2.6378 281.559 3.5883 2.969269       4.453494 
1 1 1 1  22 15 o 160.784 1.8542 260.318  4.0017  163.483 2.0835 158.085 3.0677 5.398071       3.708325 
1 1 1 1  22 17 o 41.349  3.8566 17.269   2.2193  36.189  5.9025 46.508  4.9654 -10.31859      7.713291 
1 1 1 1  22 19 o 20.055  5.3834 2.6025   2.1558  21.336  7.3545 18.773  7.8636 2.562168       10.76689 
1 1 1 1  22 21 o 175.121 1.9783 308.999  4.6353  178.016 2.2053 172.226 3.2851 5.790161       3.956648 
1 1 1 1  22 23 o 116.775 1.7689 135.233  2.8512  112.377 2.2091 121.174 2.7634 -8.797379      3.537823 
1 1 1 1  22 25 o 83.280  2.2941 70.152   2.6105  85.739  2.6934 80.822  3.7144 4.916771       4.588181 
1 1 1 1  22 27 o 129.854 2.0047 169.592  3.4861  131.066 2.2465 128.643 3.3210 2.422836       4.009427 
1 1 1 1  22 29 o 38.814  4.1018 15.280   2.2501  39.766  5.8072 37.862  5.7943 1.903950       8.203518 
1 1 1 1  22 31 o 131.591 2.7428 174.083  4.2190  131.247 2.3753 131.935 4.9447 -0.6877594     5.485608 
1 1 1 1  22 33 o 92.357  2.9883 83.965   2.7414  90.101  2.0504 94.612  5.6138 -4.510742      5.976561 
1 1 1 1  22 35 o 45.763  6.3702 26.248   2.5525  53.770  3.1137 37.755  12.354 16.01487       12.74035 
1 1 1 1  22 37 o 20.524  6.3023 0.8876   2.5420  18.155  6.7190 22.893  10.665 -4.738573      12.60467 
1 1 1 1  22 39 o 25.428  5.6114 6.7552   2.3003  29.088  5.5576 21.768  9.7501 7.319977       11.22277 
1 1 1 1  22 41 o 18.860  5.6611 1.5476   2.3453  18.248  6.6158 19.472  9.1881 -1.224354      11.32216 
1 1 1 1  22 43 o 18.089  5.9997 -0.4912  3.4122  16.302  7.3550 19.875  9.4811 -3.573648      11.99949 
1 1 1 1  23 0  o 8.9968  6.2576 -3.0021  3.8103  8.9968  6.2576 ?       ?      0.000000       0.000000 
1 1 1 1  23 2  o 273.654 2.0137 748.154  7.7729  278.929 2.9391 268.379 2.7535 10.55023       4.027387 
1 1 1 1  23 4  o 203.250 1.8459 414.367  5.2634  206.893 2.3998 199.608 2.8055 7.285629       3.691867 
1 1 1 1  23 6  o 163.749 1.7279 268.458  3.9534  164.373 2.2127 163.124 2.6544 1.248993       3.455703 
1 1 1 1  23 8  o 217.823 2.0867 476.330  6.0592  219.554 2.3140 216.092 3.4732 3.462173       4.173406 
1 1 1 1  23 10 o 262.311 2.2329 689.901  8.0512  263.750 2.6924 260.871 3.5630 2.878387       4.465856 
1 1 1 1  23 12 o 221.258 1.9590 492.257  5.9827  225.341 2.3827 217.176 3.1102 8.164307       3.917983 
1 1 1 1  23 14 o 89.991  1.8164 81.075   2.2187  90.068  2.1153 89.914  2.9536 0.1539688      3.632894 
1 1 1 1  23 16 o 73.874  2.4115 55.767   2.3368  77.375  2.5369 70.374  4.1018 7.000671       4.822929 
1 1 1 1  23 18 o 138.246 1.7416 194.654  3.2772  146.697 2.0071 129.796 2.8467 16.90089       3.483107 
1 1 1 1  23 20 o 69.792  2.5902 47.968   2.3358  67.315  2.7445 72.270  4.3936 -4.955315      5.180348 
1 1 1 1  23 22 o 94.285  2.2206 89.516   2.8512  95.666  2.5949 92.904  3.6042 2.762924       4.441207 
1 1 1 1  23 24 o 166.409 1.8487 277.354  4.1986  166.250 2.1878 166.568 2.9808 -0.3180695     3.697452 
1 1 1 1  23 26 o 56.422  3.1889 31.643   2.5074  49.303  4.5667 63.541  4.4520 -14.23778      6.377760 
1 1 1 1  23 28 o 61.094  2.9630 37.757   2.5192  62.178  3.7140 60.009  4.6179 2.169079       5.926089 
1 1 1 1  23 30 o 72.296  2.4086 52.661   2.4370  72.420  3.1090 72.173  3.6796 0.2465973      4.817223 
1 1 1 1  23 32 o 70.780  4.3138 52.308   3.7587  73.583  4.0014 67.976  7.6437 5.606201       8.627699 
1 1 1 1  23 34 o 15.379  5.1749 -4.4295  2.3113  13.340  5.8580 17.418  8.5323 -4.077744      10.34971 
1 1 1 1  23 36 o 18.189  5.7404 -0.1020  2.3541  15.315  6.3757 21.064  9.5477 -5.749198      11.48074 
1 1 1 1  23 38 o 24.699  6.1628 5.8270   2.3292  25.156  6.0351 24.241  10.747 0.9154758      12.32563 
1 1 1 1  23 40 o 28.913  6.3985 10.003   2.4101  28.301  5.9050 29.525  11.353 -1.224016      12.79692 
1 1 1 1  23 42 o 22.906  6.3220 6.3299   2.5361  21.596  7.0166 24.216  10.519 -2.620739      12.64410 
1 1 1 1  24 1  o 150.863 1.6776 227.693  3.5785  152.106 2.3912 149.621 2.3537 2.484406       3.355264 
1 1 1 1  24 3  o 59.319  2.4732 32.946   1.8474  52.291  2.6498 66.347  4.1768 -14.05641      4.946363 
1 1 1 1  24 5  o 156.459 1.9951 243.419  3.9281  154.637 1.9787 158.281 3.4651 -3.643860      3.990256 
1 1 1 1  24 7  o 280.541 2.0329 785.948  7.9048  277.605 2.5372 283.477 3.1771 -5.872559      4.065834 
1 1 1 1  24 9  o 289.363 2.2587 839.927  9.0865  291.944 2.8278 286.783 3.5229 5.161102       4.517488 
1 1 1 1  24 11 o 72.661  2.4277 52.944   2.3772  72.919  2.7710 72.402  3.9869 0.5174332      4.855340 
1 1 1 1  24 13 o 197.117 1.9550 389.254  5.1266  197.483 2.1633 196.751 3.2570 0.7315521      3.910027 
1 1 1 1  24 15 o 127.713 1.7670 163.126  3.0508  127.418 2.0389 128.009 2.8864 -0.5907745     3.533921 
1 1 1 1  24 17 o 18.497  5.4178 0.9415   1.9185  13.364  5.7457 23.630  9.1867 -10.26633      10.83552 
1 1 1 1  24 19 o 118.308 1.8609 141.647  3.0206  122.965 2.2067 113.652 2.9971 9.313164       3.721788 
1 1 1 1  24 21 o 146.863 1.8595 217.390  3.7543  150.218 2.2291 143.508 2.9770 6.709854       3.719028 
1 1 1 1  24 23 o 121.881 1.8543 148.922  3.1375  122.237 2.3143 121.524 2.8979 0.7133865      3.708606 
1 1 1 1  24 25 o 132.127 1.9470 174.479  3.5249  130.633 2.3423 133.622 3.1108 -2.988968      3.894044 
1 1 1 1  24 27 o 62.876  2.9217 39.161   2.4261  60.338  3.2531 65.413  4.8542 -5.074753      5.843468 
1 1 1 1  24 29 o 62.970  3.0819 40.156   2.7420  61.053  4.4444 64.887  4.2707 -3.834171      6.163701 
1 1 1 1  24 31 o 75.123  2.6849 57.376   2.8242  78.767  3.4449 71.479  4.1192 7.287750       5.369814 
1 1 1 1  24 33 o 30.323  6.5563 10.031   3.0309  31.898  7.6819 28.748  10.627 3.150103       13.11265 
1 1 1 1  24 35 o 39.565  6.1044 21.306   2.7565  51.174  3.6101 27.956  11.663 23.21791       12.20887 
1 1 1 1  24 37 o 60.699  4.3760 35.997   2.5525  56.146  2.9819 65.252  8.2283 -9.105682      8.751956 
1 1 1 1  24 39 o 17.020  5.4781 -0.9132  2.5192  15.820  6.5936 18.219  8.7500 -2.399426      10.95619 
1 1 1 1  24 41 o 21.677  5.6469 3.7040   2.6988  25.112  6.9123 18.242  8.9313 6.870148       11.29374 
1 1 1 1  25 0  o 102.600 2.7051 105.535  5.5423  102.600 2.7051 ?       ?      0.000000       0.000000 
1 1 1 1  25 2  o 298.665 2.5291 895.315  10.642  306.150 3.3755 291.180 3.7671 14.97043       5.058189 
1 1 1 1  25 4  o 272.703 2.2645 747.096  8.4841  276.051 2.7188 269.355 3.6223 6.695953       4.529078 
1 1 1 1  25 6  o 50.273  3.0590 25.395   2.1553  51.028  3.9599 49.517  4.6636 1.510193       6.117980 
1 1 1 1  25 8  o 28.550  6.1071 7.3087   2.3584  21.724  7.0129 35.376  10.000 -13.65215      12.21424 
1 1 1 1  25 10 o 270.196 2.1716 732.732  8.0354  272.363 2.5860 268.028 3.4894 4.334656       4.343212 
1 1 1 1  25 12 o 184.991 1.7932 343.447  4.4966  186.456 2.0745 183.526 2.9255 2.930130       3.586407 
1 1 1 1  25 14 o 135.273 1.8205 182.096  3.3860  132.332 2.2250 138.215 2.8821 -5.883560      3.641036 
1 1 1 1  25 16 o 17.962  5.5346 -0.9897  2.5732  15.546  6.9732 20.378  8.5966 -4.831994      11.06920 
1 1 1 1  25 18 o 216.852 2.0935 474.308  6.2981  223.432 2.5839 210.272 3.2947 13.15915       4.187081 
1 1 1 1  25 20 o 128.436 1.9807 166.255  3.4977  131.190 2.3764 125.682 3.1695 5.508240       3.961451 
1 1 1 1  25 22 o 51.392  3.9837 26.922   2.6688  52.614  4.1696 50.170  6.7893 2.444580       7.967496 
1 1 1 1  25 24 o 48.778  3.9744 23.786   2.7055  43.231  5.6088 54.325  5.6324 -11.09405      7.948721 
1 1 1 1  25 26 o 58.839  3.6761 35.620   2.8074  60.829  3.7964 56.849  6.2963 3.980057       7.352296 
1 1 1 1  25 28 o 64.664  2.9133 42.322   2.6544  68.622  3.9542 60.707  4.2795 7.914871       5.826610 
1 1 1 1  25 30 o 21.778  5.9706 3.4589   2.6011  20.439  7.9928 23.116  8.8717 -2.676579      11.94117 
1 1 1 1  25 32 o 64.421  3.0392 42.814   2.5948  66.737  3.2873 62.105  5.1127 4.631409       6.078360 
1 1 1 1  25 34 o 30.707  6.5833 10.469   3.4604  36.493  7.5343 24.922  10.798 11.57068       13.16652 
1 1 1 1  25 36 o 71.850  4.7637 53.617   3.0300  70.867  2.7698 72.832  9.1158 -1.964500      9.527316 
1 1 1 1  25 38 o 41.935  5.9106 19.152   2.6228  37.884  4.7241 45.987  10.836 -8.102436      11.82118 
1 1 1 1  25 40 o 28.771  7.0896 10.796   2.6917  24.061  7.0118 33.481  12.324 -9.419575      14.17913 
1 1 1 1  26 1  o 155.527 1.7325 242.051  3.8095  158.402 2.4419 152.652 2.4583 5.749451       3.464981 
1 1 1 1  26 3  o 213.453 1.9807 459.316  5.7930  218.785 2.3485 208.121 3.1901 10.66389       3.961312 
1 1 1 1  26 5  o 182.932 1.8543 336.889  4.6636  186.883 2.2242 178.981 2.9676 7.902740       3.708593 
1 1 1 1  26 7  o 120.164 1.8799 144.253  3.1238  119.171 2.3253 121.156 2.9544 -1.984856      3.759726 
1 1 1 1  26 9  o 160.134 1.8811 258.275  3.9996  162.549 2.0600 157.718 3.1480 4.830719       3.762103 
1 1 1 1  26 11 o 35.547  5.8522 13.989   2.6424  40.971  4.7909 30.122  10.679 10.84909       11.70440 
1 1 1 1  26 13 f 147.188 1.9841 218.178  3.9962  150.004 2.3477 144.371 3.1991 5.632980       3.968123 
1 1 1 1  26 15 o 229.311 2.0609 527.313  6.4731  229.885 2.4611 228.738 3.3064 1.147415       4.121805 
1 1 1 1  26 17 o 104.530 1.9193 110.557  2.6942  107.383 2.1505 101.678 3.1796 5.704384       3.838610 
1 1 1 1  26 19 o 93.819  2.3908 87.331   3.0296  90.953  2.7929 96.685  3.8813 -5.732597      4.781680 
1 1 1 1  26 21 o 36.284  5.0449 14.232   2.4610  42.086  5.3499 30.482  8.5548 11.60374       10.08986 
1 1 1 1  26 23 o 79.074  2.3955 63.027   2.6243  80.032  2.9576 78.116  3.7692 1.916084       4.791058 
1 1 1 1  26 25 f 37.377  5.8249 15.493   2.8855  42.315  5.5939 32.440  10.219 9.875134       11.64981 
1 1 1 1  26 27 o 40.643  4.7948 17.207   2.6768  36.510  7.2143 44.776  6.3178 -8.265869      9.589619 
1 1 1 1  26 29 o 62.725  3.4565 39.694   2.9901  60.332  4.3061 65.119  5.4081 -4.787262      6.913022 
1 1 1 1  26 31 o 25.742  6.1186 6.8542   2.6938  27.840  8.2992 23.643  8.9929 4.197594       12.23721 
1 1 1 1  26 33 o 26.070  6.4587 7.3131   2.9921  27.886  8.9587 24.255  9.3059 3.630983       12.91730 
1 1 1 1  26 35 o 20.854  6.3428 2.4330   2.5887  16.027  6.6927 25.681  10.777 -9.654593      12.68565 
1 1 1 1  26 37 o 20.061  6.2984 2.1819   2.6756  15.139  6.5734 24.983  10.746 -9.844006      12.59683 
1 1 1 1  26 39 o 21.385  6.0774 5.4315   2.5125  19.644  7.1945 23.126  9.7970 -3.482264      12.15490 
1 1 1 1  27 0  o 368.409 3.5423 1359.13  26.095  368.409 3.5423 ?       ?      0.000000       0.000000 
1 1 1 1  27 2  o 210.685 2.0114 443.879  5.8366  209.575 2.4517 211.795 3.1892 -2.220169      4.022711 
1 1 1 1  27 4  o 52.255  3.8636 27.064   2.6140  50.779  4.0930 53.731  6.5543 -2.951939      7.727283 
1 1 1 1  27 6  o 169.604 1.7160 288.020  3.9798  169.733 2.0408 169.475 2.7593 0.2582245      3.432009 
1 1 1 1  27 8  o 126.413 2.0036 157.389  3.4667  119.392 2.4661 133.434 3.1585 -14.04156      4.007200 
1 1 1 1  27 10 o 338.631 2.7692 1148.79  12.489  337.327 3.0806 339.936 4.6025 -2.609009      5.538326 
1 1 1 1  27 12 o 151.206 1.9035 230.581  3.9524  154.981 2.2723 147.431 3.0544 7.550751       3.806937 
1 1 1 1  27 14 o 122.087 2.1186 149.803  3.6142  123.838 2.7039 120.337 3.2623 3.501724       4.237219 
1 1 1 1  27 16 o 116.978 2.1066 135.894  3.1860  114.802 2.2127 119.153 3.5855 -4.350471      4.213262 
1 1 1 1  27 18 o 23.264  6.3219 3.6571   2.7894  19.770  7.8468 26.757  9.9143 -6.986565      12.64380 
1 1 1 1  27 20 o 18.085  5.5552 -1.0608  2.6509  18.317  7.5050 17.854  8.1924 0.4632607      11.11040 
1 1 1 1  27 22 o 19.386  5.7614 0.3680   2.7411  20.542  8.1411 18.231  8.1545 2.310808       11.52274 
1 1 1 1  27 24 o 67.871  3.6765 46.921   3.3475  68.254  4.1447 67.489  6.0736 0.7645340      7.352972 
1 1 1 1  27 26 o 16.267  5.4086 -5.8951  3.0491  14.029  6.7126 18.505  8.4826 -4.476541      10.81728 
1 1 1 1  27 28 o 60.410  3.7130 37.930   3.0107  62.763  4.1393 58.056  6.1654 4.706505       7.426045 
1 1 1 1  27 30 o 60.379  3.6309 38.762   2.9707  69.329  4.1637 51.429  5.9496 17.89962       7.261772 
1 1 1 1  27 32 o 31.592  6.3824 11.766   3.1711  37.195  8.4210 25.989  9.5929 11.20641       12.76472 
1 1 1 1  27 34 o 28.494  5.9769 9.9530   2.5967  30.650  8.4129 26.339  8.4921 4.310675       11.95375 
1 1 1 1  27 36 f 39.665  6.7497 21.305   2.8789  44.828  4.2499 34.501  12.813 10.32712       13.49947 
1 1 1 1  27 38 o 21.439  6.6779 4.7498   3.2043  20.015  7.4912 22.863  11.057 -2.848196      13.35571 
1 1 1 1  28 1  o 211.915 1.9100 449.115  5.5070  210.909 2.2446 212.920 3.0911 -2.010727      3.820053 
1 1 1 1  28 3  o 191.523 1.8610 364.881  4.8335  187.646 2.1844 195.401 3.0136 -7.755295      3.722069 
1 1 1 1  28 5  o 16.505  4.8919 0.1732   1.9629  14.881  6.6003 18.129  7.2220 -3.248081      9.783706 
1 1 1 1  28 7  o 144.644 1.7821 210.151  3.3795  145.611 1.9031 143.676 3.0137 1.934845       3.564275 
1 1 1 1  28 9  o 187.560 2.1277 353.576  5.3685  188.980 2.4134 186.141 3.5047 2.838608       4.255316 
1 1 1 1  28 11 f 134.546 1.9665 183.080  3.5839  138.344 2.2535 130.748 3.2234 7.595795       3.932960 
1 1 1 1  28 13 o 254.057 2.2810 648.836  8.1609  260.761 3.0332 247.352 3.4077 13.40834       4.562045 
1 1 1 1  28 15 o 228.737 2.1188 527.816  6.7294  235.357 2.6247 222.117 3.3270 13.23999       4.237636 
1 1 1 1  28 17 o 110.826 2.2229 125.166  3.1803  114.409 2.2708 107.244 3.8221 7.164719       4.445782 
1 1 1 1  28 19 o 43.041  4.2556 18.571   2.5518  39.456  5.7065 46.627  6.3147 -7.170403      8.511174 
1 1 1 1  28 21 o 98.438  2.3070 98.021   3.1375  100.617 2.8115 96.259  3.6586 4.358521       4.614080 
1 1 1 1  28 23 o 27.817  6.2282 7.9598   2.7603  25.038  8.5924 30.595  9.0186 -5.556684      12.45646 
1 1 1 1  28 25 o 57.194  3.8298 33.742   3.0500  60.345  4.7835 54.043  5.9822 6.301651       7.659574 
1 1 1 1  28 27 o 85.485  3.0353 74.475   3.3250  85.872  3.0926 85.098  5.2239 0.7742233      6.070657 
1 1 1 1  28 29 o 52.217  4.6027 28.622   3.2280  51.817  5.2365 52.616  7.5709 -0.7990341     9.205429 
1 1 1 1  28 31 o 21.503  6.2799 2.5720   3.1144  18.153  8.0038 24.852  9.6791 -6.699623      12.55974 
1 1 1 1  28 33 o 17.637  5.5225 0.0012   2.7177  15.188  7.0037 20.086  8.5405 -4.898065      11.04503 
1 1 1 1  28 35 f 33.545  6.5752 15.448   3.2165  33.404  9.7615 33.686  8.8116 -0.2816315     13.15036 
1 1 1 1  28 37 o 23.442  6.6762 7.5851   2.9222  22.291  7.4697 24.593  11.068 -2.301888      13.35250 
1 1 1 1  29 0  o 57.522  3.8489 33.600   4.3877  57.522  3.8489 ?       ?      0.000000       0.000000 
1 1 1 1  29 2  o 28.061  5.4747 7.6332   2.3371  20.381  7.5182 35.741  7.9603 -15.35999      10.94945 
1 1 1 1  29 4  o 41.173  4.5272 17.628   2.3966  42.843  4.7163 39.503  7.7292 3.340710       9.054494 
1 1 1 1  29 6  o 50.804  4.0934 27.481   2.5906  56.234  3.7986 45.375  7.2523 10.85833       8.186882 
1 1 1 1  29 8  o 101.254 2.1851 100.751  2.8920  96.930  2.3824 105.578 3.6637 -8.648087      4.370187 
1 1 1 1  29 10 o 95.508  2.3289 91.728   2.9030  96.086  2.4634 94.930  3.9530 1.156075       4.657786 
1 1 1 1  29 12 o 121.328 2.1901 149.415  3.4823  124.642 2.3159 118.014 3.7179 6.627861       4.380218 
1 1 1 1  29 14 o 123.045 2.2336 153.552  3.7395  127.193 2.5872 118.896 3.6418 8.296852       4.467221 
1 1 1 1  29 16 o 110.402 2.9576 124.780  3.8865  113.228 2.6004 107.576 5.3130 5.652557       5.915221 
1 1 1 1  29 18 o 69.531  3.5857 48.847   3.2311  69.107  3.7593 69.955  6.1070 -0.8487015     7.171363 
1 1 1 1  29 20 o 91.047  2.6530 82.017   3.2653  86.018  3.1545 96.076  4.2664 -10.05823      5.305946 
1 1 1 1  29 22 o 103.129 2.4135 106.735  3.3254  102.138 2.7131 104.119 3.9923 -1.980667      4.826937 
1 1 1 1  29 24 o 78.201  3.0744 61.248   3.1534  75.747  3.3535 80.655  5.1537 -4.907837      6.148719 
1 1 1 1  29 26 o 40.663  5.8938 18.071   3.2259  36.650  7.9424 44.677  8.7101 -8.027409      11.78765 
1 1 1 1  29 28 o 17.506  5.7705 -4.6708  3.1366  12.899  6.2607 22.112  9.6954 -9.212606      11.54109 
1 1 1 1  29 30 o 19.898  6.0809 0.9893   3.1103  19.875  8.2167 19.921  8.9664 -0.4621696E-01 12.16184 
1 1 1 1  29 32 o 28.183  6.1186 9.6237   3.2631  35.969  8.2040 20.398  9.0797 15.57047       12.23711 
1 1 1 1  29 34 o 44.345  4.9284 23.272   3.0863  42.491  7.0652 46.199  6.8730 -3.708061      9.856737 
1 1 1 1  29 36 o 18.459  5.8605 0.7450   3.3173  20.843  8.8626 16.076  7.6705 4.766516       11.72103 
1 1 1 1  30 1  o 129.337 1.9578 167.640  3.5757  129.167 2.6817 129.506 2.8531 -0.3384399     3.915564 
1 1 1 1  30 3  o 59.969  3.6067 34.370   2.8920  51.378  4.4947 68.561  5.6418 -17.18351      7.213346 
1 1 1 1  30 5  o 56.586  3.7263 29.443   2.6942  46.201  4.3736 66.971  6.0343 -20.77076      7.452610 
1 1 1 1  30 7  o 124.625 2.3494 155.622  4.0006  123.889 2.7960 125.361 3.7763 -1.471786      4.698764 
1 1 1 1  30 9  o 155.804 2.0321 246.262  4.1329  159.779 2.1318 151.830 3.4602 7.948837       4.064209 
1 1 1 1  30 11 o 77.542  3.0984 62.540   2.9391  81.832  2.8220 73.253  5.5168 8.578506       6.196719 
1 1 1 1  30 13 o 55.502  3.9048 30.566   2.7523  53.295  4.0080 57.709  6.7027 -4.413658      7.809669 
1 1 1 1  30 15 o 25.750  6.5908 5.8034   2.9697  22.521  8.3282 28.978  10.217 -6.457069      13.18152 
1 1 1 1  30 17 o 88.681  2.7242 78.160   3.2878  84.448  3.2815 92.915  4.3494 -8.467758      5.448445 
1 1 1 1  30 19 o 111.315 2.3348 123.909  3.6003  108.176 2.9353 114.455 3.6318 -6.278534      4.669647 
1 1 1 1  30 21 o 59.779  4.7673 36.070   3.5514  57.561  4.7140 61.997  8.2878 -4.436462      9.534608 
1 1 1 1  30 23 o 58.408  4.2242 35.200   3.3068  57.974  4.7800 58.842  6.9661 -0.8682823     8.448326 
1 1 1 1  30 25 o 27.734  6.5312 7.7298   3.0868  21.423  8.5047 34.045  9.9145 -12.62177      13.06249 
1 1 1 1  30 27 o 28.468  6.4645 9.1867   3.1495  32.447  8.3227 24.489  9.8939 7.958292       12.92892 
1 1 1 1  30 29 o 18.896  5.9908 -1.0722  3.3650  19.521  8.3839 18.271  8.5598 1.250481       11.98169 
1 1 1 1  30 31 o 23.508  6.3973 5.9979   3.1290  25.557  8.7802 21.459  9.3064 4.097284       12.79456 
1 1 1 1  30 33 o 21.537  6.4505 4.1984   3.4611  22.559  9.0074 20.516  9.2359 2.042961       12.90098 
1 1 1 1  31 0  o 14.105  8.6668 1.8474   4.6186  14.105  8.6668 ?       ?      0.000000       0.000000 
1 1 1 1  31 2  o 112.395 2.3577 129.026  3.5455  117.637 2.6011 107.152 3.9331 10.48518       4.715413 
1 1 1 1  31 4  o 180.786 1.9688 329.249  4.9563  184.528 2.4716 177.045 3.0652 7.482880       3.937587 
1 1 1 1  31 6  o 201.320 2.2621 406.862  5.9877  201.093 2.4403 201.547 3.8097 -0.4542847     4.524273 
1 1 1 1  31 8  o 188.176 2.0610 355.701  5.4006  188.441 2.6041 187.911 3.1952 0.5297241      4.121995 
1 1 1 1  31 10 f 104.013 2.3879 108.490  3.2582  103.324 2.5703 104.702 4.0252 -1.378189      4.775815 
1 1 1 1  31 12 o 64.060  3.7195 41.865   3.0756  64.712  3.8362 63.408  6.3735 1.304642       7.438906 
1 1 1 1  31 14 o 73.520  2.9006 54.031   2.9121  70.911  3.5008 76.129  4.6259 -5.218063      5.801279 
1 1 1 1  31 16 o 23.972  6.6619 3.9440   3.0628  21.222  8.1350 26.721  10.552 -5.498886      13.32385 
1 1 1 1  31 18 o 43.570  5.4483 21.173   2.7997  48.144  4.5568 38.997  9.8981 9.146397       10.89664 
1 1 1 1  31 20 f 85.046  2.9868 73.438   3.4470  84.333  3.4913 85.759  4.8470 -1.425941      5.973505 
1 1 1 1  31 22 o 49.257  4.9391 24.937   3.0751  46.808  5.0569 51.706  8.4858 -4.897743      9.878289 
1 1 1 1  31 24 o 23.351  7.0361 2.7130   3.6028  21.019  8.3919 25.683  11.296 -4.663334      14.07223 
1 1 1 1  31 26 o 30.887  6.5587 11.140   2.9080  29.094  7.7829 32.680  10.559 -3.586378      13.11744 
1 1 1 1  31 28 o 20.850  6.0971 1.3284   3.1602  14.600  6.9719 27.101  10.005 -12.50129      12.19416 
1 1 1 1  31 30 o 36.489  5.9808 16.643   2.8591  35.139  6.8151 37.839  9.8302 -2.700325      11.96151 
1 1 1 1  31 32 o 20.272  6.2723 3.5863   3.2468  18.058  7.9033 22.485  9.7418 -4.426769      12.54453 
1 1 1 1  32 1  o 54.309  3.5145 30.450   2.6265  61.227  4.2432 47.391  5.6038 13.83543       7.028993 
1 1 1 1  32 3  o 105.872 2.5560 113.504  3.7319  108.116 3.0971 103.628 4.0669 4.488091       5.111955 
1 1 1 1  32 5  o 124.635 2.1378 156.938  3.5857  126.417 2.4204 122.853 3.5245 3.563591       4.275543 
1 1 1 1  32 7  o 127.130 2.2080 162.366  3.7411  126.760 2.4594 127.499 3.6677 -0.7384491     4.415988 
1 1 1 1  32 9  o 33.650  5.9958 12.188   2.8225  31.678  8.0098 35.621  8.9242 -3.943335      11.99162 
1 1 1 1  32 11 o 112.044 2.5892 126.999  3.8610  113.122 2.8580 110.965 4.3183 2.156708       5.178367 
1 1 1 1  32 13 o 165.974 2.1279 277.276  4.9106  166.376 2.6719 165.573 3.3125 0.8029633      4.255769 
1 1 1 1  32 15 o 119.076 2.3940 141.208  3.6193  116.404 2.4302 121.747 4.1255 -5.343071      4.788091 
1 1 1 1  32 17 o 106.109 2.6658 114.910  3.7411  107.830 2.8912 104.389 4.4797 3.441254       5.331669 
1 1 1 1  32 19 o 46.105  6.2400 24.975   3.4496  52.696  5.1492 39.514  11.368 13.18195       12.47995 
1 1 1 1  32 21 o 39.466  6.6100 17.729   3.5052  38.124  7.9805 40.809  10.540 -2.684635      13.22006 
1 1 1 1  32 23 o 30.797  6.9001 11.275   3.3437  31.998  8.5102 29.596  10.864 2.402603       13.80024 
1 1 1 1  32 25 o 21.812  6.7477 1.9316   3.5091  17.588  7.7858 26.036  11.023 -8.448057      13.49535 
1 1 1 1  32 27 o 21.555  6.4142 3.2803   3.4450  23.026  9.0020 20.084  9.1396 2.942120       12.82840 
1 1 1 1  32 29 o 17.758  5.8922 -1.7973  3.4174  15.886  7.2921 19.630  9.2572 -3.744349      11.78439 
1 1 1 1  32 31 o 27.696  9.3262 11.777   6.1196  27.696  9.3262 ?       ?      ?              ?        
1 1 1 1  33 0  o 216.162 2.8054 468.671  12.124  216.162 2.8054 ?       ?      0.000000       0.000000 
1 1 1 1  33 2  o 162.333 2.0531 265.232  4.7008  164.778 2.7679 159.888 3.0331 4.889954       4.106163 
1 1 1 1  33 4  o 55.972  5.1027 35.878   3.2653  66.586  4.0750 45.357  9.3566 21.22899       10.20545 
1 1 1 1  33 6  o 49.318  4.9416 25.439   2.8220  50.228  4.2528 48.408  8.9214 1.819126       9.883240 
1 1 1 1  33 8  o 45.818  4.4819 21.713   2.8085  46.991  5.2829 44.645  7.2415 2.345707       8.963752 
1 1 1 1  33 10 o 43.054  6.0188 20.655   3.2020  47.162  5.3861 38.945  10.765 8.217224       12.03769 
1 1 1 1  33 12 o 113.408 2.5189 129.863  3.7775  113.235 2.7532 113.580 4.2189 -0.3446655     5.037719 
1 1 1 1  33 14 o 57.576  4.2715 35.546   3.1022  62.018  4.0959 53.135  7.4970 8.883331       8.542951 
1 1 1 1  33 16 o 71.954  3.4968 53.747   3.3475  73.857  3.8302 70.051  5.8515 3.805763       6.993587 
1 1 1 1  33 18 o 40.926  5.9553 19.101   3.2089  44.871  6.0472 36.981  10.261 7.890083       11.91062 
1 1 1 1  33 20 o 58.483  4.3180 37.095   3.3475  62.310  4.6327 54.656  7.2883 7.653397       8.636031 
1 1 1 1  33 22 o 19.913  5.9461 1.1450   2.9882  21.156  8.2033 18.670  8.6099 2.486170       11.89226 
1 1 1 1  33 24 o 17.233  5.6745 -2.7303  3.2997  15.653  7.3477 18.812  8.6492 -3.158831      11.34895 
1 1 1 1  33 26 o 17.234  5.6958 -3.4444  3.3436  13.681  6.6662 20.788  9.2373 -7.107558      11.39151 
1 1 1 1  33 28 o 25.376  7.4674 8.9565   4.1743  24.192  9.3655 26.560  11.633 -2.368164      14.93478 
1 1 1 1  34 1  o 54.409  3.5920 29.797   2.7279  49.934  4.8559 58.885  5.2943 -8.950478      7.183986 
1 1 1 1  34 3  o 63.473  3.3617 41.176   3.0010  60.540  5.0542 66.406  4.4339 -5.865444      6.723382 
1 1 1 1  34 5  o 29.840  6.9118 9.1671   3.1402  27.079  8.3457 32.601  11.020 -5.521214      13.82357 
1 1 1 1  34 7  o 44.807  5.5427 21.823   2.8481  46.586  4.5853 43.027  10.093 3.558655       11.08540 
1 1 1 1  34 9  o 23.714  6.8516 3.1175   3.5629  20.540  8.7173 26.888  10.573 -6.348270      13.70322 
1 1 1 1  34 11 f 57.790  4.5549 35.742   3.2635  61.128  4.2500 54.453  8.0578 6.675472       9.109884 
1 1 1 1  34 13 o 36.421  6.5307 14.621   2.9747  35.135  6.4879 37.707  11.336 -2.572773      13.06147 
1 1 1 1  34 15 o 15.793  5.3330 -7.1568  3.2231  15.065  7.0548 16.520  7.9995 -1.454846      10.66590 
1 1 1 1  34 17 o 25.259  6.7763 6.4003   3.2848  24.649  8.9965 25.869  10.136 -1.220152      13.55257 
1 1 1 1  34 19 o 18.688  5.9385 -0.6437  3.0470  17.056  7.4679 20.319  9.2353 -3.262650      11.87691 
1 1 1 1  34 21 o 37.541  6.9072 18.386   3.5606  36.891  8.1965 38.191  11.120 -1.299679      13.81439 
1 1 1 1  34 23 o 48.420  5.4474 26.496   3.4959  42.840  6.4686 54.001  8.7666 -11.16090      10.89484 
1 1 1 1  34 25 o 25.713  6.9788 9.0344   3.5658  26.264  9.2941 25.163  10.413 1.101078       13.95761 
1 1 1 1  34 27 o 19.309  6.3135 1.6416   3.7953  16.959  7.8311 21.659  9.9053 -4.699963      12.62702 
1 1 1 1  35 0  o 17.202  9.5957 4.3877   4.8495  17.202  9.5957 ?       ?      0.000000       0.000000 
1 1 1 1  35 2  o 37.309  5.2247 15.189   2.6768  40.749  6.2338 33.868  8.3862 6.881374       10.44932 
1 1 1 1  35 4  o 87.106  2.6509 77.217   3.2616  89.008  3.6323 85.205  3.8622 3.803780       5.301848 
1 1 1 1  35 6  o 71.993  3.6792 53.977   3.4823  73.461  3.9295 70.525  6.2214 2.936081       7.358444 
1 1 1 1  35 8  o 50.261  4.7867 25.335   3.2311  41.088  6.3230 59.434  7.1881 -18.34655      9.573323 
1 1 1 1  35 10 o 55.730  4.5948 32.185   3.3699  53.406  5.0808 58.054  7.6573 -4.648502      9.189576 
1 1 1 1  35 12 o 46.833  6.6211 25.481   3.5376  49.377  5.2614 44.289  12.152 5.088478       13.24228 
1 1 1 1  35 14 o 43.862  5.3797 21.089   3.0846  41.949  6.0555 45.775  8.8936 -3.826668      10.75943 
1 1 1 1  35 16 o 51.857  5.6202 30.802   3.5415  54.521  5.1886 49.193  9.9713 5.327999       11.24045 
1 1 1 1  35 18 o 26.747  6.7288 8.7478   3.4309  29.938  8.7253 23.556  10.246 6.381878       13.45758 
1 1 1 1  35 20 o 22.901  6.8325 4.5613   3.4496  18.580  8.0152 27.222  11.068 -8.642218      13.66506 
1 1 1 1  35 22 o 25.457  6.8786 8.6454   3.2474  23.510  8.5393 27.404  10.786 -3.893524      13.75714 
1 1 1 1  35 24 o 22.807  6.8260 6.3629   3.6208  18.399  8.1615 27.215  10.944 -8.816261      13.65201 
1 1 1 1  36 1  o 19.921  5.8330 1.7664   2.6938  17.187  7.5404 22.655  8.9016 -5.468082      11.66603 
1 1 1 1  36 3  o 64.049  3.8480 44.352   3.2993  72.470  4.2222 55.628  6.4345 16.84175       7.696075 
1 1 1 1  36 5  o 53.499  4.4260 30.519   3.3475  52.427  6.2768 54.570  6.2419 -2.143246      8.852076 
1 1 1 1  36 7  o 18.948  5.9999 -1.1081  3.2411  16.871  7.6901 21.024  9.2118 -4.153000      11.99974 
1 1 1 1  36 9  o 23.516  5.9415 4.0535   2.9837  28.073  7.8964 18.959  8.8798 9.113596       11.88295 
1 1 1 1  36 11 f 28.560  7.2905 9.3130   3.5115  25.837  8.8734 31.282  11.570 -5.445494      14.58091 
1 1 1 1  36 13 o 59.847  4.6159 40.423   3.6251  64.710  4.8177 54.983  7.8750 9.726631       9.231752 
1 1 1 1  36 15 o 51.392  5.9195 32.583   3.7348  56.015  5.4625 46.769  10.503 9.245953       11.83897 
1 1 1 1  36 17 o 46.004  5.8026 24.267   3.3692  40.688  6.3850 51.320  9.6908 -10.63194      11.60518 
1 1 1 1  36 19 o 19.918  6.4588 1.0224   3.6815  16.910  7.7029 22.927  10.370 -6.017033      12.91762 
1 1 1 1  36 21 o 17.666  5.7718 -0.2857  3.1860  16.419  7.3842 18.913  8.8730 -2.494461      11.54368 
1 1 1 1  36 23 o 31.647  6.5439 14.155   3.0106  29.274  8.2972 34.020  10.122 -4.745550      13.08781 
1 1 1 1  37 0  o 14.406  8.9718 2.1938   5.0804  14.406  8.9718 ?       ?      0.000000       0.000000 
1 1 1 1  37 2  o 53.424  4.2934 30.930   3.2039  57.945  5.4798 48.904  6.6110 9.041458       8.586792 
1 1 1 1  37 4  o 33.349  6.3241 13.377   3.0668  37.823  8.9761 28.875  8.9109 8.947868       12.64814 
1 1 1 1  37 6  o 20.673  6.1167 2.2802   3.0884  18.046  8.1108 23.300  9.1582 -5.254560      12.23350 
1 1 1 1  37 8  o 27.499  6.9423 9.2925   3.4391  22.582  9.0103 32.417  10.564 -9.834545      13.88454 
1 1 1 1  37 10 o 23.445  6.7773 5.6690   3.4827  20.899  8.7407 25.991  10.360 -5.091555      13.55455 
1 1 1 1  37 12 o 26.065  6.3302 5.4268   3.8796  34.259  9.2289 17.872  8.6667 16.38713       12.66034 
1 1 1 1  37 14 o 20.226  6.3275 1.1288   3.7224  21.506  8.8975 18.946  8.9990 2.560656       12.65494 
1 1 1 1  37 16 o 19.942  6.3711 1.5833   3.5575  18.071  7.9810 21.813  9.9332 -3.742033      12.74221 
1 1 1 1  37 18 o 39.974  6.2875 22.348   3.4270  44.210  6.6599 35.737  10.667 8.472538       12.57495 
1 1 1 1  37 20 f 57.250  4.7946 39.304   3.6025  59.152  5.0752 55.348  8.1359 3.803139       9.589134 
1 1 1 1  38 1  o 21.666  5.9193 4.2463   2.8100  25.151  8.5935 18.181  8.1427 6.970098       11.83863 
1 1 1 1  38 3  o 33.194  6.2533 14.174   3.1398  40.171  8.4577 26.217  9.2132 13.95425       12.50665 
1 1 1 1  38 5  o 34.310  6.5858 15.703   3.5217  41.987  8.6822 26.632  9.9051 15.35550       13.17157 
1 1 1 1  38 7  o 57.603  4.1221 36.881   3.3395  52.931  5.9989 62.276  5.6549 -9.345394      8.244118 
1 1 1 1  38 9  o 30.796  7.1175 13.575   3.5198  27.513  9.4138 34.078  10.678 -6.564539      14.23493 
1 1 1 1  38 11 o 29.454  7.5304 13.083   3.9417  29.751  9.4846 29.158  11.699 0.5930233      15.06079 
1 1 1 1  38 13 o 22.441  6.8625 5.2254   3.8193  21.394  8.8306 23.489  10.507 -2.094893      13.72499 
1 1 1 1  38 15 o 28.534  6.7778 13.138   3.7587  34.031  8.6346 23.037  10.450 10.99405       13.55550 
1 1 1 1  39 0  o 85.032  3.8187 74.706   6.4660  85.032  3.8187 ?       ?      0.000000       0.000000 
1 1 1 1  39 2  o 71.280  3.3405 55.208   3.3395  73.368  4.3279 69.193  5.0896 4.175102       6.680946 
1 1 1 1  39 4  o 57.386  4.7726 38.458   3.8543  61.727  6.6405 53.045  6.8567 8.682301       9.545203 
1 1 1 1  39 6  o 34.408  6.5136 16.499   3.3653  41.298  8.9205 27.517  9.4938 13.78131       13.02714 
1 1 1 1  39 8  o 24.930  6.7272 9.2609   3.3712  26.879  9.5493 22.982  9.4779 3.897120       13.45438 
1 1 1 1  39 10 o 23.525  6.1689 7.9093   2.7603  22.365  8.8654 24.684  8.5805 -2.318291      12.33780 
1 1 1 1  40 1  o 29.508  6.3116 12.390   2.8551  28.698  8.8121 30.317  9.0385 -1.619362      12.62326 
1 1 1 2  1  1  o 583.586 5.8703 3407.19  46.552  582.880 6.8639 584.291 9.5250 -1.411255      11.74052 
1 1 1 2  1  3  o 490.568 3.0997 2406.40  21.321  489.658 4.0441 491.477 4.6987 -1.819763      6.199368 
1 1 1 2  1  5  o 178.378 1.3183 318.456  3.3133  179.900 1.7650 176.857 1.9586 3.042816       2.636568 
1 1 1 2  1  7  o 1094.81 10.571 12008.23 156.896 1095.83 12.270 1093.79 17.217 2.043335       21.14226 
1 1 1 2  1  9  o 388.357 2.3495 1508.11  12.898  390.014 3.3750 386.701 3.2696 3.313751       4.698997 
1 1 1 2  1  11 o 506.350 2.9629 2564.44  21.216  505.723 4.1782 506.977 4.2020 -1.253326      5.925711 
1 1 1 2  1  13 o 65.730  0.8706 43.241   0.8083  63.842  1.2660 67.619  1.1953 -3.776779      1.741143 
1 1 1 2  1  15 o 508.489 2.9823 2585.92  21.439  514.507 4.2527 502.470 4.1822 12.03680       5.964630 
1 1 1 2  1  17 o 325.002 2.0413 1056.43  9.3814  321.680 2.9074 328.324 2.8662 -6.643402      4.082668 
1 1 1 2  1  19 o 1004.13 5.6288 10088.56 79.907  1009.16 8.0550 999.100 7.8644 10.05420       11.25753 
1 1 1 2  1  21 o 381.472 2.3382 1454.92  12.607  384.740 3.3612 378.205 3.2514 6.534851       4.676492 
1 1 1 2  1  23 f 213.882 1.5479 457.883  4.6735  211.074 2.2702 216.690 2.1048 -5.615662      3.095778 
1 1 1 2  1  25 o 395.334 2.4213 1561.33  13.506  402.438 3.5290 388.231 3.3161 14.20676       4.842611 
1 1 1 2  1  27 o 109.557 1.3397 120.610  2.0166  107.657 2.1450 111.456 1.6057 -3.798782      2.679480 
1 1 1 2  1  29 o 409.348 2.6381 1677.40  15.270  405.061 3.7627 413.635 3.6987 -8.573425      5.276205 
1 1 1 2  1  31 o 84.080  1.6017 70.549   1.8982  86.343  2.3402 81.816  2.1875 4.526871       3.203381 
1 1 1 2  1  33 o 111.870 1.4312 124.409  2.1983  114.390 2.2711 109.351 1.7423 5.039742       2.862429 
1 1 1 2  1  35 o 109.756 1.4322 119.645  2.1923  113.929 2.1790 105.583 1.8591 8.346611       2.864300 
1 1 1 2  1  37 o 71.590  2.1158 50.433   1.9645  74.251  3.5766 68.928  2.2614 5.322876       4.231593 
1 1 1 2  1  39 o 61.637  2.9176 38.773   2.3555  59.335  4.9623 63.940  3.0699 -4.604691      5.835104 
1 1 1 2  1  41 o 34.787  4.6662 12.451   2.1383  35.300  7.7349 34.274  5.2217 1.025642       9.332417 
1 1 1 2  1  43 o 35.362  5.2788 12.534   2.2963  39.476  8.8487 31.247  5.7588 8.228422       10.55764 
1 1 1 2  1  45 o 44.318  5.0248 20.349   2.8591  46.089  8.4579 42.548  5.4275 3.540878       10.04957 
1 1 1 2  1  47 o 15.013  5.0127 -4.9938  2.6942  15.808  7.5184 14.218  6.6320 1.590081       10.02545 
1 1 1 2  1  49 o 16.284  5.2999 -1.4349  2.4236  18.376  8.5260 14.192  6.2978 4.183640       10.59979 
1 1 1 2  1  51 o 29.318  6.2942 11.668   2.8147  27.177  10.370 31.459  7.1361 -4.281881      12.58849 
1 1 1 2  2  0  o 314.543 2.7720 989.647  17.435  314.543 2.7720 ?       ?      0.000000       0.000000 
1 1 1 2  2  2  o 686.650 4.6044 4716.02  44.702  679.281 6.4763 694.018 6.5467 -14.73688      9.208756 
1 1 1 2  2  4  o 714.515 4.7870 5102.42  48.318  728.083 6.8827 700.948 6.6549 27.13458       9.573902 
1 1 1 2  2  6  o 476.876 2.9057 2265.60  19.028  470.366 3.5226 483.386 4.6221 -13.02057      5.811389 
1 1 1 2  2  8  o 423.615 2.5152 1794.64  15.068  422.647 3.5515 424.582 3.5625 -1.934967      5.030399 
1 1 1 2  2  10 o 190.174 1.3094 361.612  3.5207  191.465 1.8695 188.884 1.8339 2.580170       2.618805 
1 1 1 2  2  12 o 154.615 1.1617 239.069  2.5402  154.895 1.6400 154.335 1.6459 0.5600891      2.323466 
1 1 1 2  2  14 o 281.941 1.8024 794.279  7.1783  286.761 2.5971 277.120 2.5000 9.641357       3.604813 
1 1 1 2  2  16 o 360.424 2.2198 1298.78  11.311  354.386 3.1278 366.461 3.1508 -12.07462      4.439694 
1 1 1 2  2  18 o 719.436 4.1421 5176.77  42.131  724.940 5.9171 713.932 5.7980 11.00793       8.284250 
1 1 1 2  2  20 o 451.751 2.7155 2040.85  17.343  449.420 3.7896 454.082 3.8905 -4.661377      5.431096 
1 1 1 2  2  22 o 202.962 1.4981 409.527  4.2575  210.228 2.2519 195.696 1.9766 14.53197       2.996285 
1 1 1 2  2  24 o 76.772  1.2267 58.899   1.3178  77.110  1.8718 76.434  1.5862 0.6757584      2.453460 
1 1 1 2  2  26 o 313.559 2.0396 983.686  9.0195  312.947 3.0070 314.171 2.7564 -1.223938      4.079207 
1 1 1 2  2  28 o 344.828 2.2739 1190.09  11.085  339.252 3.2674 350.403 3.1634 -11.15039      4.547822 
1 1 1 2  2  30 o 189.255 1.6947 358.280  4.5230  188.877 2.2925 189.632 2.4964 -0.7546234     3.389331 
1 1 1 2  2  32 o 68.307  1.9101 46.382   1.8312  71.724  2.8172 64.890  2.5801 6.833656       3.820170 
1 1 1 2  2  34 o 102.519 1.4863 105.475  2.1111  101.217 2.3386 103.822 1.8350 -2.604889      2.972585 
1 1 1 2  2  36 o 148.447 1.6926 221.704  3.4067  146.168 2.7648 150.727 1.9534 -4.559647      3.385269 
1 1 1 2  2  38 o 57.968  2.3977 33.626   1.8612  58.330  3.9590 57.605  2.7060 0.7244949      4.795423 
1 1 1 2  2  40 o 46.147  3.6511 22.069   2.0244  44.090  6.5470 48.203  3.2338 -4.112274      7.302131 
1 1 1 2  2  42 o 29.011  5.5302 8.9071   2.2930  24.797  9.8458 33.225  5.0391 -8.427397      11.06040 
1 1 1 2  2  44 o 53.301  3.5417 28.631   2.4132  54.092  6.0836 52.509  3.6283 1.583290       7.083380 
1 1 1 2  2  46 o 19.146  5.4734 1.5289   2.3358  18.291  8.2394 20.002  7.2073 -1.710951      10.94681 
1 1 1 2  2  48 o 22.518  6.1055 4.5682   2.5906  25.844  9.5822 19.192  7.5689 6.652031       12.21096 
1 1 1 2  2  50 o 18.619  5.4885 1.5395   2.4632  17.698  8.2938 19.540  7.1908 -1.841873      10.97701 
1 1 1 2  2  52 o 15.530  5.4338 -3.8689  2.9697  18.699  9.1260 12.362  5.9008 6.336264       10.86751 
1 1 1 2  3  3  o 846.452 5.6017 7168.88  67.055  847.766 7.9404 845.138 7.9036 2.628845       11.20341 
1 1 1 2  3  5  o 106.123 1.0388 112.636  1.5588  107.292 1.4528 104.953 1.4852 2.339264       2.077632 
1 1 1 2  3  7  o 848.403 6.0292 7204.58  68.918  849.468 6.8846 847.337 9.8998 2.131287       12.05841 
1 1 1 2  3  9  o 434.421 2.8158 1888.38  17.117  435.662 3.6309 433.180 4.3048 2.481995       5.631618 
1 1 1 2  3  11 o 352.013 2.1742 1238.29  10.812  357.267 3.1349 346.758 3.0135 10.50958       4.348440 
1 1 1 2  3  13 o 368.233 2.2616 1356.22  11.777  367.607 3.1881 368.860 3.2086 -1.253540      4.523148 
1 1 1 2  3  15 o 470.150 2.8133 2211.07  18.704  474.305 3.9802 465.995 3.9769 8.309906       5.626533 
1 1 1 2  3  17 o 187.411 1.3506 351.154  3.5785  184.022 1.9137 190.799 1.9063 -6.776840      2.701142 
1 1 1 2  3  19 o 67.057  1.1693 45.335   1.0939  63.570  1.8163 70.544  1.4731 -6.973907      2.338624 
1 1 1 2  3  21 o 321.603 2.0691 1033.93  9.4015  324.519 2.9887 318.687 2.8623 5.831665       4.138256 
1 1 1 2  3  23 o 339.248 2.1600 1151.07  10.362  336.262 3.0561 342.234 3.0533 -5.971924      4.319986 
1 1 1 2  3  25 o 44.751  1.9673 20.045   1.2352  44.557  2.9801 44.946  2.5690 -0.3888931     3.934559 
1 1 1 2  3  27 o 222.325 1.6544 494.491  5.1856  221.959 2.4450 222.691 2.2295 -0.7324371     3.308887 
1 1 1 2  3  29 f 139.269 1.9070 194.908  3.6047  137.393 3.1095 141.146 2.2087 -3.753052      3.814099 
1 1 1 2  3  31 o 112.017 1.3538 125.821  2.1299  109.927 2.0482 114.106 1.7708 -4.179077      2.707591 
1 1 1 2  3  33 o 13.530  4.2635 -1.3347  1.5930  13.987  6.4677 13.074  5.5570 0.9129210      8.527092 
1 1 1 2  3  35 o 62.272  2.1661 38.404   1.8614  64.945  3.3780 59.598  2.7123 5.347492       4.332137 
1 1 1 2  3  37 o 46.868  3.3284 24.361   1.8612  38.267  6.0346 55.468  2.8102 -17.20094      6.656881 
1 1 1 2  3  39 o 90.327  1.8502 81.874   2.2950  89.792  2.9576 90.861  2.2239 -1.068871      3.700385 
1 1 1 2  3  41 o 23.016  5.4243 4.6043   1.9328  28.594  8.7077 17.439  6.4705 11.15435       10.84859 
1 1 1 2  3  43 o 48.992  3.5440 24.021   2.2119  50.253  6.0888 47.730  3.6286 2.522728       7.088057 
1 1 1 2  3  45 o 31.524  5.7633 10.648   2.4697  34.110  9.1269 28.938  7.0400 5.172413       11.52655 
1 1 1 2  3  47 o 39.118  5.1441 16.742   2.4097  37.937  9.2102 40.298  4.5844 -2.361805      10.28810 
1 1 1 2  3  49 o 15.353  5.1671 -4.0156  2.6461  17.010  8.2343 13.697  6.2443 3.313614       10.33411 
1 1 1 2  3  51 o 23.203  6.7098 4.4454   2.8626  31.993  11.725 14.412  6.5280 17.58132       13.41964 
1 1 1 2  4  0  o 709.794 5.9304 5039.91  84.174  709.794 5.9304 ?       ?      0.000000       0.000000 
1 1 1 2  4  2  o 708.774 4.1639 5022.77  41.715  700.112 5.8135 717.435 5.9629 -17.32306      8.327835 
1 1 1 2  4  4  o 516.295 3.0916 2665.33  22.564  512.500 4.3144 520.090 4.4291 -7.589539      6.183127 
1 1 1 2  4  6  o 747.703 5.6322 5598.99  58.715  751.815 7.1415 743.592 8.7112 8.223572       11.26437 
1 1 1 2  4  8  o 807.886 6.0653 6537.63  68.258  812.126 7.6633 803.646 9.4036 8.479797       12.13067 
1 1 1 2  4  10 o 166.804 1.5688 273.107  3.2921  161.286 1.5750 172.321 2.7137 -11.03484      3.137645 
1 1 1 2  4  12 o 559.274 3.2884 3128.82  26.003  557.228 4.6001 561.320 4.7003 -4.091797      6.576764 
1 1 1 2  4  14 o 121.455 1.1810 147.841  2.0140  123.452 1.5432 119.458 1.7882 3.993835       2.362011 
1 1 1 2  4  16 o 172.203 1.2563 296.276  3.0555  169.488 1.7372 174.919 1.8153 -5.430511      2.512594 
1 1 1 2  4  18 o 496.796 3.1627 2472.03  22.169  518.073 4.3014 475.519 4.6378 42.55460       6.325498 
1 1 1 2  4  20 o 252.984 1.7520 639.326  6.2415  255.653 2.5970 250.316 2.3525 5.337418       3.504071 
1 1 1 2  4  22 o 271.269 1.8135 735.976  6.9566  268.897 2.5764 273.642 2.5528 -4.745605      3.626957 
1 1 1 2  4  24 o 108.099 1.2289 116.976  1.8759  106.043 1.7966 110.156 1.6771 -4.112625      2.457736 
1 1 1 2  4  26 o 159.748 1.3306 255.151  2.9921  160.198 1.9821 159.297 1.7759 0.9006653      2.661268 
1 1 1 2  4  28 o 102.824 1.3740 105.531  1.9713  103.944 2.1106 101.703 1.7597 2.240891       2.747941 
1 1 1 2  4  30 o 52.610  2.0035 28.222   1.4064  49.916  3.3541 55.304  2.1922 -5.387867      4.006947 
1 1 1 2  4  32 o 213.590 1.7489 456.563  5.2823  215.387 2.4660 211.793 2.4805 3.593063       3.497734 
1 1 1 2  4  34 o 142.636 1.4630 203.050  2.9160  144.671 2.2347 140.601 1.8888 4.070297       2.926023 
1 1 1 2  4  36 o 98.270  1.6877 96.374   2.3093  99.756  2.6043 96.784  2.1474 2.971657       3.375482 
1 1 1 2  4  38 o 12.535  4.1116 -2.8431  1.6809  13.193  6.2097 11.877  5.3907 1.316133       8.223166 
1 1 1 2  4  40 o 57.012  2.7627 33.787   2.0183  52.949  4.7975 61.074  2.7413 -8.125256      5.525453 
1 1 1 2  4  42 o 53.569  3.0068 29.551   2.0260  51.548  5.2638 55.589  2.9080 -4.040901      6.013672 
1 1 1 2  4  44 o 30.331  5.4634 9.9098   2.2892  27.562  9.4953 33.100  5.4070 -5.537912      10.92681 
1 1 1 2  4  46 o 19.220  5.5659 1.9824   2.2954  21.384  8.6619 17.056  6.9920 4.328337       11.13180 
1 1 1 2  4  48 o 34.112  5.4235 13.740   2.4427  29.568  9.5850 38.655  5.0780 -9.087442      10.84705 
1 1 1 2  4  50 o 18.794  5.9487 1.0318   2.7839  21.905  9.6994 15.683  6.8899 6.222227       11.89743 
1 1 1 2  4  52 o 21.249  6.9398 4.3767   3.9682  24.163  11.338 18.335  8.0060 5.827976       13.87952 
1 1 1 2  5  1  o 362.598 2.3081 1314.66  11.831  360.847 3.2158 364.349 3.3117 -3.501709      4.616131 
1 1 1 2  5  3  o 781.107 4.5322 6090.68  49.951  802.086 6.5644 760.128 6.2507 41.95758       9.064365 
1 1 1 2  5  5  o 242.938 1.6214 589.910  5.5674  246.134 2.3221 239.742 2.2636 6.392120       3.242860 
1 1 1 2  5  7  o 788.866 5.4354 6185.09  55.097  778.624 5.6203 799.108 9.3053 -20.48444      10.87088 
1 1 1 2  5  9  o 433.810 3.2970 1878.37  18.948  431.591 3.6251 436.028 5.5080 -4.436462      6.593912 
1 1 1 2  5  11 o 330.937 2.1716 1090.84  9.7266  326.969 2.5249 334.905 3.5339 -7.936371      4.343214 
1 1 1 2  5  13 o 275.666 1.8599 757.891  6.9335  273.413 2.1538 277.920 3.0329 -4.506927      3.719810 
1 1 1 2  5  15 o 150.932 1.6340 232.529  3.3060  159.846 1.8059 142.017 2.7237 17.82889       3.267949 
1 1 1 2  5  17 o 320.465 2.0193 1026.74  9.1432  322.545 2.9175 318.385 2.7925 4.159882       4.038545 
1 1 1 2  5  19 o 502.408 2.9710 2524.23  21.076  503.921 4.3306 500.895 4.0686 3.025665       5.942031 
1 1 1 2  5  21 o 358.354 2.2602 1281.35  11.428  346.750 3.1301 369.959 3.2615 -23.20831      4.520477 
1 1 1 2  5  23 o 96.729  1.2061 93.696   1.6408  95.625  1.8112 97.834  1.5933 -2.209045      2.412277 
1 1 1 2  5  25 o 194.203 1.5064 376.965  4.1034  195.062 2.2790 193.344 1.9708 1.718918       3.012892 
1 1 1 2  5  27 o 313.428 2.0713 982.828  9.1762  313.481 2.9835 313.376 2.8739 0.1049805      4.142542 
1 1 1 2  5  29 o 98.767  1.3585 98.092   1.8545  96.572  2.1521 100.962 1.6583 -4.389999      2.716911 
1 1 1 2  5  31 o 230.956 1.6884 533.514  5.5060  232.600 2.4572 229.312 2.3162 3.288269       3.376800 
1 1 1 2  5  33 o 93.238  1.6259 87.035   2.1221  93.015  2.4827 93.461  2.1002 -0.4453812     3.251900 
1 1 1 2  5  35 o 36.068  3.7601 14.367   1.6026  30.418  6.8133 41.717  3.1830 -11.29896      7.520107 
1 1 1 2  5  37 o 72.396  2.1580 50.890   2.1383  80.655  3.2927 64.138  2.7904 16.51696       4.316008 
1 1 1 2  5  39 o 194.363 1.8060 378.145  4.9589  198.196 2.5925 190.530 2.5150 7.666275       3.611931 
1 1 1 2  5  41 o 36.958  4.6796 15.030   2.0874  32.611  8.4360 41.305  4.0534 -8.693420      9.359238 
1 1 1 2  5  43 o 19.101  5.5197 1.5233   2.3538  19.048  8.1100 19.154  7.4897 -0.1057568     11.03936 
1 1 1 2  5  45 o 28.442  5.4117 8.9269   2.1924  26.266  8.9674 30.618  6.0608 -4.352367      10.82342 
1 1 1 2  5  47 o 33.638  5.4762 11.569   2.3600  42.343  8.4800 24.934  6.9315 17.40933       10.95244 
1 1 1 2  5  49 o 20.947  5.9411 4.1154   2.5208  22.019  9.3011 19.874  7.3943 2.145441       11.88215 
1 1 1 2  5  51 o 15.497  4.9404 -3.3142  2.5654  14.045  6.9960 16.949  6.9775 -2.904521      9.880736 
1 1 1 2  6  0  o 605.959 5.2314 3673.04  63.390  605.959 5.2314 ?       ?      0.000000       0.000000 
1 1 1 2  6  2  o 1078.08 7.9409 11625.57 119.173 1081.30 12.307 1074.85 10.039 6.451172       15.88180 
1 1 1 2  6  4  o 863.434 5.0023 7458.12  61.080  865.324 7.0387 861.544 7.1098 3.779602       10.00462 
1 1 1 2  6  6  o 826.775 4.7574 6838.46  55.625  827.693 6.7170 825.857 6.7389 1.836792       9.514796 
1 1 1 2  6  8  o 487.324 3.5573 2375.83  22.572  487.448 3.7545 487.201 6.0434 0.2479858      7.114686 
1 1 1 2  6  10 o 319.596 2.5369 1024.25  10.895  321.839 2.8701 317.353 4.1841 4.485809       5.073893 
1 1 1 2  6  12 o 184.483 1.3940 339.496  3.4453  183.235 1.5754 185.732 2.3002 -2.496887      2.787947 
1 1 1 2  6  14 o 113.955 1.1342 127.071  1.6389  109.423 1.1607 118.488 1.9490 -9.065132      2.268433 
1 1 1 2  6  16 o 604.955 3.6486 3672.59  30.607  613.659 4.5158 596.251 5.7321 17.40784       7.297180 
1 1 1 2  6  18 o 169.273 2.2449 295.521  4.8180  159.003 3.9214 179.543 2.1865 -20.54051      4.489781 
1 1 1 2  6  20 o 90.188  1.1815 81.420   1.4922  89.643  1.8033 90.732  1.5271 -1.088837      2.363007 
1 1 1 2  6  22 o 216.367 1.5190 467.466  4.6329  219.914 2.2314 212.820 2.0617 7.094894       3.038061 
1 1 1 2  6  24 o 223.145 1.6190 496.530  5.0817  228.678 2.3984 217.612 2.1755 11.06662       3.238027 
1 1 1 2  6  26 o 72.631  1.3963 53.196   1.3997  70.126  2.2228 75.136  1.6904 -5.010445      2.792572 
1 1 1 2  6  28 o 48.278  2.0312 22.987   1.3471  50.725  3.1868 45.831  2.5193 4.893551       4.062359 
1 1 1 2  6  30 o 124.203 1.8424 153.555  2.8438  125.297 3.2253 123.110 1.7820 2.187492       3.684888 
1 1 1 2  6  32 o 107.139 1.4964 115.429  2.2456  103.257 2.2924 111.022 1.9240 -7.765572      2.992802 
1 1 1 2  6  34 o 161.226 1.7232 259.931  3.9122  162.632 2.5559 159.820 2.3119 2.811249       3.446382 
1 1 1 2  6  36 o 91.892  1.9520 83.098   2.2892  94.957  3.3439 88.827  2.0148 6.130646       3.904001 
1 1 1 2  6  38 o 114.069 1.6503 129.476  2.6105  117.210 2.5613 110.928 2.0818 6.281288       3.300608 
1 1 1 2  6  40 o 78.442  2.1909 60.633   2.2425  81.527  3.6823 75.357  2.3750 6.170074       4.381787 
1 1 1 2  6  42 o 36.592  4.7376 14.214   2.0871  35.113  8.4706 38.071  4.2460 -2.957645      9.475219 
1 1 1 2  6  44 o 17.516  5.3389 0.0789   2.2530  19.976  8.4286 15.055  6.5556 4.920861       10.67787 
1 1 1 2  6  46 o 22.410  5.5332 1.2909   2.2574  33.807  9.7237 11.012  5.2836 22.79526       11.06646 
1 1 1 2  6  48 o 24.300  5.9868 5.6424   2.3811  31.080  9.7157 17.520  6.9979 13.56005       11.97358 
1 1 1 2  6  50 o 20.831  5.9007 4.1396   2.5654  20.657  9.2384 21.005  7.3435 -0.3477612     11.80148 
1 1 1 2  6  52 o 25.810  7.2648 9.5574   3.3986  26.861  12.131 24.760  7.9962 2.100851       14.52952 
1 1 1 2  7  1  o 1257.38 14.300 15860.33 254.255 1267.11 20.275 1247.64 20.170 19.46509       28.59946 
1 1 1 2  7  3  o 298.562 1.9678 888.278  8.2734  308.703 2.8800 288.422 2.6822 20.28146       3.935606 
1 1 1 2  7  5  o 593.184 3.5375 3519.01  29.663  596.188 5.0742 590.179 4.9302 6.008545       7.074912 
1 1 1 2  7  7  o 929.656 6.3090 8675.78  76.638  935.486 6.6898 923.826 10.699 11.65979       12.61807 
1 1 1 2  7  9  o 467.356 3.3696 2191.46  20.607  470.422 3.5836 464.291 5.7074 6.130432       6.739194 
1 1 1 2  7  11 f 244.461 1.7569 595.484  5.9954  239.683 2.2642 249.240 2.6869 -9.556778      3.513711 
1 1 1 2  7  13 o 466.554 3.0170 2176.92  19.755  465.559 3.9558 467.549 4.5564 -1.990112      6.033967 
1 1 1 2  7  15 o 558.893 3.4681 3101.26  26.098  547.510 3.9964 570.276 5.6692 -22.76563      6.936200 
1 1 1 2  7  17 o 602.427 3.6530 3615.34  29.992  594.595 4.3304 610.259 5.8843 -15.66431      7.306009 
1 1 1 2  7  19 o 161.107 1.5767 259.564  5.0804  161.107 1.5767 ?       ?      ?              ?        
1 1 1 2  7  21 o 104.721 1.3415 113.710  1.8012  112.799 1.3307 96.643  2.3298 16.15602       2.683022 
1 1 1 2  7  23 o 244.207 1.7610 592.854  5.8638  239.487 2.0973 248.926 2.8295 -9.439209      3.522010 
1 1 1 2  7  25 o 257.986 1.8041 665.805  6.5810  257.180 2.5815 258.793 2.5208 -1.612549      3.608185 
1 1 1 2  7  27 f 54.090  1.8185 29.285   1.3760  53.928  2.7834 54.252  2.3411 -0.3239861     3.637050 
1 1 1 2  7  29 o 74.492  1.5286 55.847   1.5619  72.860  2.4563 76.123  1.8202 -3.262405      3.057234 
1 1 1 2  7  31 o 187.120 1.5935 350.275  4.2073  187.778 2.3366 186.461 2.1673 1.316345       3.187033 
1 1 1 2  7  33 o 153.491 1.4886 234.526  3.2072  159.105 2.2134 147.877 1.9911 11.22813       2.977183 
1 1 1 2  7  35 o 14.748  4.4122 -0.2074  1.5930  14.461  6.5977 15.035  5.8599 -0.5747299     8.824323 
1 1 1 2  7  37 o 93.690  1.7009 87.897   2.1593  93.757  2.7709 93.624  1.9733 0.1332932      3.401738 
1 1 1 2  7  39 o 106.613 1.6678 113.065  2.4712  110.133 2.5686 103.094 2.1280 7.039291       3.335581 
1 1 1 2  7  41 o 65.754  2.4797 42.979   2.1748  67.809  4.0867 63.700  2.8096 4.108772       4.959326 
1 1 1 2  7  43 o 20.457  5.5023 3.1540   2.0966  22.839  8.5801 18.076  6.8909 4.762550       11.00465 
1 1 1 2  7  47 o 27.730  5.8542 8.2584   2.2193  31.608  9.5822 23.852  6.7282 7.755980       11.70843 
1 1 1 2  7  49 o 17.628  5.5571 0.1892   2.5058  21.538  9.1664 13.717  6.2852 7.820230       11.11425 
1 1 1 2  7  51 o 19.424  6.0678 3.0441   2.7124  22.706  9.9928 16.142  6.8859 6.564148       12.13560 
1 1 1 2  8  0  o 570.537 5.0300 3256.33  57.386  570.537 5.0300 ?       ?      0.000000       0.000000 
1 1 1 2  8  2  o 752.433 4.5143 5663.07  48.023  765.740 6.3633 739.126 6.4049 26.61432       9.028522 
1 1 1 2  8  4  o 749.885 4.3933 5624.19  46.558  744.194 6.0975 755.577 6.3266 -11.38251      8.786693 
1 1 1 2  8  6  o 602.177 3.5423 3627.38  30.160  603.305 5.0622 601.048 4.9563 2.256958       7.084542 
1 1 1 2  8  8  o 454.661 2.8365 2072.58  17.818  458.969 3.4717 450.353 4.4868 8.615631       5.673091 
1 1 1 2  8  10 o 350.318 2.3232 1226.98  11.263  349.645 2.8730 350.990 3.6515 -1.345093      4.646303 
1 1 1 2  8  12 o 583.540 3.7083 3408.82  30.358  585.464 4.8417 581.615 5.6182 3.848083       7.416657 
1 1 1 2  8  14 o 154.354 1.2695 238.261  2.7712  154.410 1.7947 154.298 1.7960 0.1121979      2.538969 
1 1 1 2  8  16 o 477.455 2.9825 2277.10  19.335  475.566 3.4841 479.343 4.8417 -3.776886      5.964982 
1 1 1 2  8  18 o 545.651 3.2780 2988.00  24.833  553.967 4.0748 537.334 5.1357 16.63300       6.555923 
1 1 1 2  8  20 o 236.740 1.6624 560.270  5.4033  236.365 2.0029 237.114 2.6539 -0.7483368     3.324866 
1 1 1 2  8  22 o 118.573 1.2706 139.937  2.0404  116.919 1.4813 120.227 2.0648 -3.307053      2.541247 
1 1 1 2  8  24 o 393.444 2.5285 1550.68  13.810  395.638 3.1519 391.251 3.9546 4.387024       5.056986 
1 1 1 2  8  26 o 121.814 1.3870 148.718  2.3318  122.789 1.6926 120.840 2.1977 1.949638       2.773960 
1 1 1 2  8  28 o 106.627 1.4519 113.800  2.1184  106.849 1.7290 106.405 2.3330 0.4435577      2.903895 
1 1 1 2  8  30 o 80.963  1.8868 67.264   1.9320  84.865  1.8368 77.062  3.2963 7.802650       3.773527 
1 1 1 2  8  32 o 99.897  1.6552 99.877   2.3378  99.898  2.3116 99.896  2.3695 0.2037048E-02  3.310317 
1 1 1 2  8  34 o 33.056  4.6714 11.077   2.1558  23.127  7.3441 42.986  5.7751 -19.85936      9.342810 
1 1 1 2  8  36 o 72.447  1.9884 52.556   1.8976  72.536  3.3428 72.359  2.1542 0.1770630      3.976851 
1 1 1 2  8  38 o 51.474  2.6705 26.498   1.8991  52.287  4.1957 50.662  3.3047 1.625046       5.340922 
1 1 1 2  8  40 o 18.997  5.1911 2.4750   1.8976  20.023  8.0094 17.970  6.6059 2.052700       10.38218 
1 1 1 2  8  42 o 44.975  3.5149 20.662   2.1391  44.096  5.7607 45.854  4.0290 -1.757996      7.029799 
1 1 1 2  8  44 o 18.014  5.4527 -0.6716  2.3916  23.142  9.0797 12.887  6.0403 10.25426       10.90538 
1 1 1 2  8  46 o 22.842  5.8614 4.7191   2.2740  27.477  9.4138 18.207  6.9862 9.269999       11.72286 
1 1 1 2  8  48 o 22.069  5.4923 4.4232   2.4869  17.840  8.1336 26.298  7.3829 -8.457844      10.98468 
1 1 1 2  8  50 o 16.462  5.5047 -3.3485  3.2087  18.774  8.6647 14.151  6.7918 4.622128       11.00934 
1 1 1 2  9  1  o 506.095 3.2098 2559.55  22.953  494.031 4.4991 518.159 4.5793 -24.12817      6.419633 
1 1 1 2  9  3  o 535.756 3.3227 2871.18  25.161  535.129 4.6067 536.382 4.7897 -1.253357      6.645474 
1 1 1 2  9  5  o 404.717 2.5267 1638.28  14.461  403.762 3.5604 405.672 3.5863 -1.910400      5.053466 
1 1 1 2  9  7  o 447.263 3.0630 2003.72  19.147  450.440 3.9220 444.086 4.7061 6.354797       6.126099 
1 1 1 2  9  9  o 496.953 3.1038 2474.65  21.302  500.049 3.7984 493.856 4.9098 6.192993       6.207615 
1 1 1 2  9  11 o 258.722 1.7408 671.362  6.2636  262.317 2.1788 255.126 2.7155 7.191193       3.481548 
1 1 1 2  9  13 o 1227.08 7.4254 15044.48 127.010 1213.48 9.4723 1240.68 11.438 -27.19360      14.85086 
1 1 1 2  9  15 o 713.145 4.1180 5082.86  41.486  700.122 5.7228 726.169 5.9229 -26.04755      8.235965 
1 1 1 2  9  17 o 257.993 1.8366 669.371  6.5043  263.244 2.1931 252.743 2.9467 10.50096       3.673219 
1 1 1 2  9  19 o 180.026 1.3758 326.037  3.4293  184.742 1.6875 175.311 2.1735 9.430862       2.751673 
1 1 1 2  9  21 o 420.388 3.0492 1767.66  18.123  427.196 4.3110 413.579 4.3134 13.61682       6.098391 
1 1 1 2  9  23 o 210.169 1.6368 440.918  4.7126  208.734 1.9637 211.605 2.6192 -2.871292      3.273585 
1 1 1 2  9  25 o 225.196 1.7111 506.852  5.2854  224.526 2.0570 225.865 2.7350 -1.338867      3.422204 
1 1 1 2  9  27 o 46.299  2.5518 21.068   1.4495  44.941  2.4408 47.657  4.4822 -2.715946      5.103671 
1 1 1 2  9  29 o 153.609 1.5540 234.441  3.2489  150.333 1.8433 156.884 2.5023 -6.551254      3.107998 
1 1 1 2  9  31 o 152.710 1.5585 233.318  3.3126  152.607 1.9672 152.814 2.4179 -0.2068176     3.117058 
1 1 1 2  9  33 o 180.978 1.7666 327.716  4.3757  180.733 2.1083 181.223 2.8353 -0.4892120     3.533214 
1 1 1 2  9  35 o 37.980  4.3348 14.211   2.0724  35.223  4.5894 40.737  7.3553 -5.513988      8.669659 
1 1 1 2  9  37 o 53.007  2.8700 28.365   2.0404  53.757  3.2219 52.257  4.7505 1.499275       5.740010 
1 1 1 2  9  39 o 44.316  3.4472 20.205   2.0973  48.123  4.0789 40.508  5.5583 7.614868       6.894325 
1 1 1 2  9  41 o 18.395  5.2968 0.6650   2.2713  14.728  6.6870 22.062  8.2163 -7.334075      10.59355 
1 1 1 2  9  43 o 73.210  2.5373 54.135   2.6265  74.306  3.5740 72.114  3.6026 2.191711       5.074633 
1 1 1 2  9  45 o 14.910  4.8754 -3.5305  2.4506  15.459  7.0243 14.361  6.7630 1.098125       9.750817 
1 1 1 2  9  47 o 30.972  5.7512 11.267   2.6842  37.183  7.5603 24.760  8.6688 12.42238       11.50247 
1 1 1 2  9  49 o 26.972  5.7135 8.8500   2.4125  21.144  7.7370 32.800  8.4094 -11.65565      11.42706 
1 1 1 2  9  51 o 15.051  5.1272 -4.5783  3.0699  13.045  6.3520 17.057  8.0502 -4.012139      10.25449 
1 1 1 2  10 0  o 482.359 4.2975 2327.65  41.452  482.359 4.2975 ?       ?      0.000000       0.000000 
1 1 1 2  10 2  o 257.765 1.8212 664.040  6.6312  254.563 2.5174 260.966 2.6326 -6.403336      3.642470 
1 1 1 2  10 4  o 315.876 2.0177 998.507  9.0029  319.423 2.7653 312.329 2.9390 7.093506       4.035448 
1 1 1 2  10 6  o 512.739 3.1327 2628.31  22.691  505.671 4.3384 519.807 4.5203 -14.13602      6.265429 
1 1 1 2  10 8  o 175.070 1.4770 305.475  3.4861  173.392 1.6981 176.749 2.4171 -3.356827      2.953954 
1 1 1 2  10 10 o 892.772 5.2143 7981.95  64.280  894.613 6.3888 890.931 8.2426 3.682434       10.42863 
1 1 1 2  10 12 o 854.086 5.0550 7321.42  59.688  865.007 6.1937 843.166 7.9906 21.84161       10.10991 
1 1 1 2  10 14 f 418.224 2.6564 1749.67  15.431  418.522 3.3244 417.927 4.1442 0.5945740      5.312833 
1 1 1 2  10 16 o 702.472 4.0012 4937.00  39.749  704.939 5.6263 700.006 5.6907 4.932312       8.002472 
1 1 1 2  10 18 o 628.328 3.7858 3903.08  32.071  607.675 4.4082 648.980 6.1559 -41.30542      7.571529 
1 1 1 2  10 20 o 348.287 2.6151 1213.04  12.853  346.759 3.5629 349.816 3.8288 -3.057037      5.230142 
1 1 1 2  10 22 o 567.595 3.4836 3225.38  27.046  568.080 4.1464 567.110 5.5991 0.9699097      6.967200 
1 1 1 2  10 24 o 135.699 1.3977 183.230  2.5754  133.598 1.6421 137.801 2.2624 -4.202774      2.795495 
1 1 1 2  10 26 o 177.840 1.6093 318.128  3.8999  181.031 1.8816 174.650 2.6114 6.381104       3.218668 
1 1 1 2  10 28 o 225.682 1.8362 508.717  5.6641  224.348 2.1873 227.017 2.9500 -2.669174      3.672440 
1 1 1 2  10 30 o 84.982  2.0074 69.276   2.0910  79.235  1.9673 90.728  3.4998 -11.49256      4.014800 
1 1 1 2  10 32 o 182.075 1.7705 332.907  4.5097  185.797 2.2683 178.353 2.7190 7.443375       3.540973 
1 1 1 2  10 34 o 70.455  1.9117 49.471   1.8894  68.170  2.5407 72.740  2.8573 -4.569717      3.823478 
1 1 1 2  10 36 f 137.275 1.6453 189.498  3.1658  141.282 2.1249 133.268 2.5126 8.013901       3.290615 
1 1 1 2  10 38 o 71.273  2.1613 51.624   2.1111  74.741  2.5490 67.804  3.4910 6.937637       4.322554 
1 1 1 2  10 40 o 26.325  5.7399 6.9166   2.2769  22.348  7.3591 30.302  8.8107 -7.953850      11.47974 
1 1 1 2  10 42 o 91.276  2.1949 84.436   2.7759  94.240  2.6955 88.312  3.4648 5.928085       4.389777 
1 1 1 2  10 44 o 64.197  2.9503 42.171   2.5554  65.328  3.3582 63.066  4.8517 2.261524       5.900579 
1 1 1 2  10 46 o 29.408  5.8073 10.038   2.4961  31.052  7.0401 27.764  9.2378 3.287287       11.61465 
1 1 1 2  10 48 o 53.460  3.4052 30.675   2.5688  55.069  4.6128 51.851  5.0104 3.217911       6.810426 
1 1 1 2  10 50 o 23.498  6.4649 7.3735   3.0863  24.086  9.2904 22.909  8.9926 1.176325       12.92973 
1 1 1 2  11 1  o 39.046  1.8624 15.010   0.9897  30.767  2.8146 47.325  2.4398 -16.55802      3.724895 
1 1 1 2  11 3  o 111.828 1.3078 125.936  2.0458  117.559 1.6697 106.097 2.0133 11.46176       2.615620 
1 1 1 2  11 5  o 167.054 1.3441 278.266  3.1658  176.263 1.8997 157.845 1.9019 18.41833       2.688151 
1 1 1 2  11 7  o 538.366 3.5748 2897.17  26.917  535.442 4.6148 541.290 5.4608 -5.847168      7.149602 
1 1 1 2  11 9  o 618.208 3.7901 3825.60  32.227  619.545 4.5847 616.871 6.0365 2.674133       7.580147 
1 1 1 2  11 11 o 436.390 2.8004 1908.61  16.858  439.931 3.4120 432.848 4.4415 7.083160       5.600749 
1 1 1 2  11 13 o 1023.95 5.9924 10474.29 84.197  1017.37 7.2238 1030.53 9.5630 -13.15814      11.98476 
1 1 1 2  11 15 o 376.083 2.5092 1411.52  13.000  372.983 3.0647 379.182 3.9738 -6.199219      5.018378 
1 1 1 2  11 17 o 856.490 4.8688 7342.32  58.972  852.469 6.8875 860.511 6.8835 -8.041382      9.737569 
1 1 1 2  11 19 o 304.967 2.3295 930.274  10.042  305.193 3.3482 304.741 3.2395 0.4515381      4.658905 
1 1 1 2  11 21 o 214.736 1.5654 464.257  4.6753  222.079 1.9497 207.393 2.4497 14.68578       3.130857 
1 1 1 2  11 23 o 113.956 1.3293 129.305  2.0183  112.693 1.4857 115.218 2.2047 -2.525284      2.658551 
1 1 1 2  11 25 o 224.716 1.7412 507.219  5.3444  227.761 2.0532 221.672 2.8128 6.088943       3.482402 
1 1 1 2  11 27 o 55.987  2.2344 31.980   1.5468  57.855  2.0955 54.119  3.9471 3.736328       4.468851 
1 1 1 2  11 29 o 111.446 1.5658 124.769  2.3574  112.727 1.7925 110.165 2.5679 2.561447       3.131607 
1 1 1 2  11 31 o 84.367  1.6792 71.919   1.9204  86.875  1.9272 81.859  2.7505 5.015419       3.358488 
1 1 1 2  11 33 o 22.771  4.0342 4.6242   1.7227  31.081  4.6437 14.462  6.5981 16.61934       8.068368 
1 1 1 2  11 35 o 81.254  1.9099 66.348   2.1184  82.059  2.2514 80.448  3.0858 1.610252       3.819797 
1 1 1 2  11 37 o 143.154 1.7814 205.182  3.5198  142.727 2.1843 143.580 2.8146 -0.8527985     3.562749 
1 1 1 2  11 39 o 147.365 1.7214 216.877  3.5338  144.224 2.2016 150.507 2.6467 -6.283600      3.442731 
1 1 1 2  11 41 o 20.332  5.7220 2.4451   2.3772  18.144  7.2891 22.519  8.8224 -4.375324      11.44405 
1 1 1 2  11 43 o 14.811  4.8211 -3.4834  2.3677  15.398  6.8524 14.224  6.7836 1.173972       9.642225 
1 1 1 2  11 45 o 22.009  6.0342 4.1021   2.6470  20.876  8.0277 23.141  9.0112 -2.265114      12.06838 
1 1 1 2  11 47 o 28.291  6.1997 9.8558   2.7055  25.641  8.2998 30.940  9.2119 -5.299423      12.39942 
1 1 1 2  11 49 o 23.388  6.4480 6.2248   3.2237  19.106  8.3771 27.669  9.8046 -8.562592      12.89595 
1 1 1 2  12 0  o 265.303 2.5466 704.103  13.509  265.303 2.5466 ?       ?      0.000000       0.000000 
1 1 1 2  12 2  o 423.510 2.7079 1791.27  16.188  413.517 3.7416 433.503 3.9154 -19.98529      5.415714 
1 1 1 2  12 4  o 197.399 1.4375 388.425  3.9873  192.604 1.9184 202.194 2.1415 -9.590378      2.875077 
1 1 1 2  12 6  f 901.056 5.1985 8121.41  66.195  890.172 7.2314 911.940 7.4702 -21.76746      10.39697 
1 1 1 2  12 8  f 792.700 4.8138 6282.67  52.545  790.578 5.8566 794.822 7.6413 -4.243774      9.627511 
1 1 1 2  12 10 o 891.118 5.2535 7936.39  64.443  887.278 6.3896 894.958 8.3409 -7.679565      10.50703 
1 1 1 2  12 12 o 582.790 3.5204 3402.67  28.397  586.536 4.3407 579.045 5.5435 7.491455       7.040736 
1 1 1 2  12 14 o 1371.10 8.8356 18840.30 171.292 1374.95 12.622 1367.25 12.368 7.705322       17.67116 
1 1 1 2  12 16 o 455.854 2.8793 2068.97  17.869  449.217 3.4057 462.490 4.6436 -13.27274      5.758677 
1 1 1 2  12 18 o 706.180 4.3314 4993.62  42.988  708.530 5.7119 703.830 6.5129 4.700500       8.662729 
1 1 1 2  12 20 f 299.498 2.2926 897.976  9.6904  302.461 3.1113 296.536 3.3681 5.925171       4.585218 
1 1 1 2  12 22 o 513.376 3.6733 2643.60  24.504  515.441 3.8530 511.312 6.2552 4.129120       7.346662 
1 1 1 2  12 24 o 151.593 1.6041 231.528  3.3974  158.851 2.0352 144.336 2.4799 14.51503       3.208144 
1 1 1 2  12 26 o 122.332 1.8749 147.185  2.5794  119.644 1.5441 125.020 3.4172 -5.375610      3.749882 
1 1 1 2  12 28 f 71.399  1.8524 50.630   1.6861  70.364  1.8871 72.433  3.1882 -2.069221      3.704803 
1 1 1 2  12 30 o 99.087  1.5894 98.090   2.1194  98.635  1.8145 99.540  2.6100 -0.9049683     3.178721 
1 1 1 2  12 32 o 57.101  2.4283 34.227   1.7155  61.979  2.2355 52.223  4.3114 9.756653       4.856565 
1 1 1 2  12 34 o 93.900  1.7988 89.355   2.2950  97.487  2.0727 90.314  2.9405 7.173058       3.597608 
1 1 1 2  12 36 o 111.081 2.1258 126.916  2.9237  116.164 1.9880 105.998 3.7581 10.16630       4.251521 
1 1 1 2  12 38 o 37.765  4.5309 14.820   2.2386  38.523  4.9455 37.006  7.5934 1.517059       9.061854 
1 1 1 2  12 40 o 20.004  5.2459 2.4596   2.0752  14.992  6.5416 25.015  8.2027 -10.02343      10.49179 
1 1 1 2  12 42 o 27.641  5.4863 8.1309   2.4489  33.458  6.7935 21.825  8.6166 11.63325       10.97258 
1 1 1 2  12 44 o 23.350  6.0871 5.0905   2.5302  21.504  7.6548 25.196  9.4666 -3.691238      12.17427 
1 1 1 2  12 46 o 41.635  4.7027 19.162   2.6105  42.905  5.3823 40.365  7.7132 2.540352       9.405412 
1 1 1 2  12 48 o 21.786  6.0073 3.6779   2.9036  15.419  7.1309 28.154  9.6695 -12.73533      12.01458 
1 1 1 2  12 50 o 18.844  8.8075 -0.2309  8.1980  ?       ?      18.844  8.8075 ?              ?        
1 1 1 2  13 1  o 167.085 1.3919 278.214  3.2745  161.678 1.8925 172.492 2.0416 -10.81369      2.783879 
1 1 1 2  13 3  o 387.266 2.4921 1496.40  13.609  376.522 3.4193 398.011 3.6263 -21.48953      4.984121 
1 1 1 2  13 5  o 473.550 2.9092 2240.10  19.444  465.520 3.9933 481.580 4.2318 -16.05948      5.818498 
1 1 1 2  13 7  o 430.660 2.9487 1856.75  17.807  433.341 3.8369 427.980 4.4785 5.360474       5.897365 
1 1 1 2  13 9  o 262.621 1.9250 683.296  6.7893  256.064 2.2095 269.178 3.1528 -13.11484      3.849946 
1 1 1 2  13 11 o 616.481 3.7126 3796.24  31.552  613.008 4.5394 619.953 5.8761 -6.944763      7.425281 
1 1 1 2  13 13 f 298.350 2.0580 885.400  8.4355  292.590 2.5059 304.111 3.2652 -11.52133      4.115984 
1 1 1 2  13 15 o 369.884 2.4726 1366.73  12.635  367.984 3.0436 371.783 3.8977 -3.798889      4.945234 
1 1 1 2  13 17 o 825.925 5.0064 6813.39  56.393  819.498 5.9317 832.353 8.0666 -12.85425      10.01279 
1 1 1 2  13 19 o 61.485  1.8923 37.810   1.6449  61.719  2.7127 61.250  2.6392 0.4688835      3.784694 
1 1 1 2  13 21 o 828.427 4.7896 6874.00  56.062  818.643 6.6432 838.210 6.9013 -19.56726      9.579153 
1 1 1 2  13 23 o 363.114 2.5506 1320.39  12.439  363.725 2.8888 362.502 4.2045 1.223145       5.101252 
1 1 1 2  13 25 o 120.931 1.3992 146.536  2.2352  121.416 1.5216 120.446 2.3487 0.9707565      2.798474 
1 1 1 2  13 27 o 21.840  4.5567 4.6055   1.3333  20.233  4.8965 23.446  7.6863 -3.212759      9.113441 
1 1 1 2  13 29 o 110.169 1.5346 122.017  2.1650  111.183 1.5578 109.155 2.6445 2.027870       3.069200 
1 1 1 2  13 31 o 55.676  2.3840 30.985   1.6035  55.501  2.1844 55.850  4.2382 -0.3496552     4.767991 
1 1 1 2  13 33 o 182.889 1.8465 333.678  4.6998  179.327 2.3502 186.452 2.8487 -7.124878      3.692979 
1 1 1 2  13 35 o 59.710  2.6174 35.611   2.0537  59.083  2.8337 60.337  4.4014 -1.254539      5.234717 
1 1 1 2  13 37 o 88.785  2.0763 78.066   2.5158  85.039  2.5119 92.530  3.3068 -7.491806      4.152677 
1 1 1 2  13 39 o 127.382 1.9291 162.833  3.3475  126.978 2.2733 127.787 3.1173 -0.8084793     3.858197 
1 1 1 2  13 41 o 72.265  2.4388 52.895   2.3962  73.203  2.8392 71.328  3.9660 1.875336       4.877534 
1 1 1 2  13 43 o 17.552  5.3784 -0.3411  2.5074  18.303  7.5662 16.801  7.6460 1.502146       10.75678 
1 1 1 2  13 45 o 18.872  5.4584 1.0768   2.5298  21.571  7.9384 16.173  7.4939 5.397779       10.91684 
1 1 1 2  13 47 o 21.632  6.1599 4.5724   2.7712  19.809  7.8516 23.455  9.4936 -3.646038      12.31979 
1 1 1 2  13 49 o 22.423  6.9833 6.1777   4.2898  22.401  10.158 22.444  9.5849 -0.4347038E-01 13.96657 
1 1 1 2  14 0  o 691.003 5.8410 4776.77  80.710  691.003 5.8410 ?       ?      0.000000       0.000000 
1 1 1 2  14 2  o 477.006 3.0899 2275.96  20.841  482.204 4.3341 471.808 4.4051 10.39600       6.179739 
1 1 1 2  14 4  o 464.365 2.8441 2156.22  18.666  461.576 3.9524 467.155 4.0906 -5.578308      5.688104 
1 1 1 2  14 6  o 705.939 4.1289 4985.53  41.221  705.840 5.8563 706.038 5.8220 -0.1978149     8.257850 
1 1 1 2  14 8  o 1214.09 7.0715 14750.68 118.054 1211.62 8.5625 1216.56 11.256 -4.936279      14.14293 
1 1 1 2  14 10 o 129.105 1.4847 164.770  2.5725  125.172 1.7065 133.038 2.4301 -7.867012      2.969477 
1 1 1 2  14 12 o 482.991 3.0564 2340.95  20.384  489.195 3.7293 476.788 4.8434 12.40747       6.112803 
1 1 1 2  14 14 o 230.452 1.8124 534.231  5.7487  235.579 2.1811 225.325 2.8953 10.25446       3.624868 
1 1 1 2  14 16 o 619.730 3.8755 3839.29  32.959  617.142 4.6680 622.319 6.1877 -5.177063      7.751044 
1 1 1 2  14 18 o 215.980 2.0423 456.839  5.5478  207.901 2.0549 224.059 3.5300 -16.15846      4.084564 
1 1 1 2  14 20 o 378.781 2.6592 1435.85  14.032  378.952 3.3669 378.610 4.1171 0.3413696      5.318483 
1 1 1 2  14 22 o 225.861 1.7760 511.015  5.6430  228.485 2.3499 223.236 2.6637 5.249512       3.552096 
1 1 1 2  14 24 o 87.501  1.6378 77.840   1.8095  90.150  1.6010 84.853  2.8576 5.296463       3.275524 
1 1 1 2  14 26 o 123.237 1.4431 152.003  2.3310  123.344 1.5446 123.129 2.4382 0.2145767      2.886237 
1 1 1 2  14 28 o 142.385 1.5047 202.542  2.8496  141.835 1.6689 142.934 2.5042 -1.098282      3.009366 
1 1 1 2  14 30 o 153.550 1.6326 233.600  3.3189  149.895 1.8102 157.205 2.7176 -7.309906      3.265290 
1 1 1 2  14 32 o 154.868 1.6399 238.702  3.4264  152.277 1.8956 157.459 2.6765 -5.182312      3.279840 
1 1 1 2  14 34 o 86.597  1.7342 74.489   2.0404  84.423  2.0515 88.771  2.7965 -4.348358      3.468320 
1 1 1 2  14 36 f 70.554  2.2502 49.225   2.1144  67.957  2.5486 73.152  3.7093 -5.194954      4.500495 
1 1 1 2  14 38 o 25.141  5.3642 6.4885   2.0874  27.384  6.2494 22.899  8.7202 4.485147       10.72830 
1 1 1 2  14 40 o 36.492  4.8853 14.553   2.1810  39.802  4.3514 33.181  8.7481 6.620899       9.770611 
1 1 1 2  14 42 o 55.908  3.1360 31.594   2.4489  53.046  4.1357 58.771  4.7152 -5.724785      6.271928 
1 1 1 2  14 44 o 52.082  3.9465 27.864   2.7203  49.207  4.4584 54.957  6.5131 -5.749756      7.892920 
1 1 1 2  14 46 o 21.712  5.7252 4.9610   2.4712  23.921  7.8969 19.504  8.2917 4.417330       11.45046 
1 1 1 2  14 48 o 22.069  6.6457 4.5844   3.4861  25.496  10.464 18.642  8.1952 6.853693       13.29133 
1 1 1 2  15 1  o 288.776 2.1003 834.279  8.5708  291.045 2.8961 286.506 3.0427 4.539276       4.200649 
1 1 1 2  15 3  o 367.127 2.4122 1345.08  12.490  357.686 3.3088 376.567 3.5109 -18.88016      4.824335 
1 1 1 2  15 5  o 548.107 3.3808 3001.42  26.165  537.612 4.6713 558.601 4.8885 -20.98877      6.761572 
1 1 1 2  15 7  o 310.432 2.3381 961.319  10.075  306.857 2.9350 314.006 3.6404 -7.148712      4.676162 
1 1 1 2  15 9  o 514.793 3.3018 2641.38  23.196  508.777 3.9262 520.809 5.3098 -12.03223      6.603666 
1 1 1 2  15 11 o 276.557 2.0406 768.302  7.8381  282.282 2.5361 270.833 3.1975 11.44873       4.081111 
1 1 1 2  15 13 o 175.539 1.5857 306.826  3.7838  173.191 1.8667 177.887 2.5639 -4.695953      3.171477 
1 1 1 2  15 15 o 404.578 2.7065 1640.14  15.410  410.309 3.5880 398.846 4.0530 11.46335       5.412939 
1 1 1 2  15 17 o 389.366 2.7401 1517.24  14.946  389.815 3.5544 388.918 4.1713 0.8964844      5.480280 
1 1 1 2  15 19 o 75.396  1.6521 56.812   1.7566  74.669  2.2422 76.122  2.4269 -1.452827      3.304155 
1 1 1 2  15 21 o 271.487 1.9939 739.686  7.5118  275.266 2.4748 267.708 3.1270 7.557281       3.987839 
1 1 1 2  15 23 f 222.662 1.8527 495.061  5.8030  218.950 2.4786 226.374 2.7543 -7.423584      3.705356 
1 1 1 2  15 25 o 231.665 1.7990 538.392  5.6457  233.339 2.0783 229.990 2.9369 3.348679       3.597918 
1 1 1 2  15 27 o 153.590 1.5238 235.456  3.1492  152.537 1.7410 154.643 2.5013 -2.105667      3.047551 
1 1 1 2  15 29 o 164.531 1.5668 270.006  3.4220  163.206 1.7333 165.855 2.6107 -2.648834      3.133685 
1 1 1 2  15 31 o 118.087 1.6517 140.563  2.5725  119.998 1.7801 116.176 2.7828 3.821594       3.303483 
1 1 1 2  15 33 o 89.550  2.0042 81.853   2.2873  92.819  1.9904 86.282  3.4794 6.537178       4.008454 
1 1 1 2  15 35 o 57.247  2.9320 33.747   2.0244  59.461  2.6215 55.032  5.2453 4.429268       5.863945 
1 1 1 2  15 37 o 86.870  1.9435 74.537   2.2530  83.327  2.2171 90.413  3.1927 -7.085869      3.886989 
1 1 1 2  15 39 o 15.637  4.9511 -1.4063  2.1035  14.360  6.2467 16.913  7.6832 -2.552464      9.902218 
1 1 1 2  15 41 f 56.467  2.9955 32.336   2.2980  55.778  3.5191 57.155  4.8485 -1.377407      5.990988 
1 1 1 2  15 43 o 23.643  6.1256 5.3980   2.5980  23.552  7.6863 23.734  9.5401 -0.1820259     12.25121 
1 1 1 2  15 45 o 21.219  5.7506 4.5279   2.4124  21.382  7.9265 21.057  8.3336 0.3253670      11.50120 
1 1 1 2  15 47 o 25.819  7.1227 8.9867   3.6451  29.287  11.023 22.351  9.0230 6.935905       14.24539 
1 1 1 2  16 0  o 862.497 7.1901 7443.31  124.009 862.497 7.1901 ?       ?      0.000000       0.000000 
1 1 1 2  16 2  o 663.904 3.9693 4409.20  37.254  666.295 5.6927 661.514 5.5331 4.780640       7.938639 
1 1 1 2  16 4  o 512.296 3.1755 2625.08  23.005  516.261 4.4955 508.331 4.4861 7.930756       6.350940 
1 1 1 2  16 6  o 373.170 2.3951 1390.91  12.622  381.932 3.4464 364.409 3.3270 17.52246       4.790253 
1 1 1 2  16 8  o 135.471 1.4474 181.880  2.6326  132.213 1.6593 138.729 2.3721 -6.515686      2.894823 
1 1 1 2  16 10 o 550.645 3.3572 3026.88  25.449  546.073 4.0915 555.218 5.3238 -9.145142      6.714423 
1 1 1 2  16 12 o 506.562 3.2114 2561.38  22.468  501.846 3.9574 511.278 5.0587 -9.432220      6.422720 
1 1 1 2  16 14 o 191.317 1.6659 365.657  4.4846  189.358 2.2257 193.275 2.4792 -3.917679      3.331700 
1 1 1 2  16 16 o 118.589 1.6293 139.572  2.6348  115.673 1.9465 121.506 2.6133 -5.832886      3.258533 
1 1 1 2  16 18 o 235.575 1.8823 553.604  6.0418  233.494 2.2253 237.656 3.0365 -4.162216      3.764637 
1 1 1 2  16 20 o 124.086 1.5642 153.957  2.7347  123.530 2.1031 124.642 2.3159 -1.112167      3.128334 
1 1 1 2  16 22 o 123.148 1.4474 151.458  2.4845  122.122 1.8437 124.175 2.2316 -2.053680      2.894731 
1 1 1 2  16 24 o 46.594  2.4870 21.868   1.6144  41.021  3.8000 52.167  3.2094 -11.14638      4.973905 
1 1 1 2  16 26 o 210.565 2.2649 449.703  5.7076  214.766 2.0161 206.365 4.0565 8.400375       4.529881 
1 1 1 2  16 28 o 149.270 1.5888 223.861  3.1895  150.895 1.7982 147.644 2.6199 3.251038       3.177613 
1 1 1 2  16 30 o 111.415 1.6521 122.718  2.3513  108.755 1.6987 114.075 2.8341 -5.319618      3.304219 
1 1 1 2  16 32 o 77.866  2.0762 60.336   1.9751  76.996  1.9495 78.736  3.6662 -1.740013      4.152314 
1 1 1 2  16 34 o 68.303  2.2268 47.111   1.8702  69.086  2.0892 67.520  3.9332 1.566002       4.453606 
1 1 1 2  16 36 o 35.425  4.2670 12.413   1.8344  32.965  4.2032 37.885  7.4271 -4.919548      8.533944 
1 1 1 2  16 38 o 40.948  3.9358 17.852   1.9757  43.986  3.6750 37.909  6.9609 6.077454       7.871501 
1 1 1 2  16 40 o 21.486  5.6390 3.9677   2.1347  20.060  6.8964 22.912  8.9237 -2.852816      11.27796 
1 1 1 2  16 42 o 48.438  3.9912 25.698   2.3916  53.774  3.6503 43.103  7.0988 10.67076       7.982357 
1 1 1 2  16 44 o 50.949  3.9924 27.397   2.6140  50.390  4.1245 51.508  6.8371 -1.117855      7.984825 
1 1 1 2  16 46 o 23.673  6.2403 6.6727   2.8762  20.026  8.2938 27.320  9.3262 -7.294565      12.48059 
1 1 1 2  16 48 o 26.862  8.3634 13.255   4.9629  30.024  13.812 23.700  9.4354 6.323835       16.72681 
1 1 1 2  17 1  o 1186.14 6.7493 14094.91 113.213 1190.46 9.4906 1181.82 9.5991 8.638306       13.49868 
1 1 1 2  17 3  o 246.353 1.8145 606.917  6.3205  247.548 2.5887 245.159 2.5433 2.389420       3.629007 
1 1 1 2  17 5  o 293.538 1.9966 862.092  8.2845  289.083 2.8758 297.993 2.7704 -8.909851      3.993191 
1 1 1 2  17 7  o 230.330 1.8194 528.979  5.7778  227.653 2.2317 233.007 2.8741 -5.354004      3.638817 
1 1 1 2  17 9  f 429.998 2.7305 1852.79  16.294  433.271 3.3978 426.725 4.2752 6.546509       5.461004 
1 1 1 2  17 11 o 276.111 2.1956 762.596  8.5724  276.967 3.1267 275.254 3.0832 1.712555       4.391153 
1 1 1 2  17 13 f 186.161 1.7429 347.363  4.5250  188.227 2.2084 184.094 2.6970 4.132401       3.485762 
1 1 1 2  17 15 f 153.385 1.5163 233.140  3.1492  149.269 1.7791 157.500 2.4559 -8.230804      3.032618 
1 1 1 2  17 17 o 121.206 1.5786 147.422  2.6594  123.067 1.9703 119.345 2.4671 3.721977       3.157290 
1 1 1 2  17 19 o 223.339 1.9134 494.856  5.7409  218.308 2.1950 228.369 3.1348 -10.06068      3.826819 
1 1 1 2  17 21 o 195.146 1.7407 381.284  4.7744  196.217 2.2950 194.075 2.6178 2.142487       3.481325 
1 1 1 2  17 23 o 180.937 1.6685 329.817  4.1638  185.881 2.0188 175.993 2.6571 9.887650       3.337041 
1 1 1 2  17 25 o 183.515 1.8644 332.939  4.4968  178.430 2.0384 188.599 3.1223 -10.16957      3.728816 
1 1 1 2  17 27 o 27.379  5.2525 7.7979   1.7091  30.926  3.5469 23.831  9.8882 7.094759       10.50506 
1 1 1 2  17 29 o 280.425 2.5040 785.672  8.8153  278.805 2.4641 282.046 4.3599 -3.240845      5.008088 
1 1 1 2  17 31 o 21.178  5.3818 2.8665   1.8713  22.012  5.5142 20.344  9.2439 1.667719       10.76363 
1 1 1 2  17 33 o 29.356  4.1784 8.8629   1.5767  29.530  4.3010 29.182  7.1651 0.3482609      8.356843 
1 1 1 2  17 35 o 19.649  5.1235 2.9394   1.7831  19.656  6.1130 19.641  8.2239 0.1423454E-01  10.24704 
1 1 1 2  17 37 o 18.965  5.0603 2.4643   1.8210  19.482  6.2709 18.449  7.9438 1.033279       10.12062 
1 1 1 2  17 39 o 61.388  2.7851 38.738   2.1650  63.272  2.7373 59.504  4.8511 3.767570       5.570117 
1 1 1 2  17 41 o 57.330  3.6077 34.879   2.2930  59.999  2.7904 54.661  6.6540 5.337830       7.215406 
1 1 1 2  17 43 o 23.146  5.9454 5.2742   2.3040  19.118  7.0710 27.174  9.5598 -8.055449      11.89071 
1 1 1 2  17 45 o 23.030  6.1936 5.5183   2.8923  18.505  7.9554 27.555  9.4950 -9.049419      12.38726 
1 1 1 2  17 47 o 14.807  5.0196 -3.9665  2.9036  16.707  7.8290 12.907  6.2843 3.800279       10.03916 
1 1 1 2  18 0  o 116.774 1.9293 136.479  4.5031  116.774 1.9293 ?       ?      0.000000       0.000000 
1 1 1 2  18 2  o 271.328 1.8732 736.301  7.1876  270.562 2.6459 272.093 2.6522 -1.531616      3.746348 
1 1 1 2  18 4  o 244.080 1.8060 594.982  6.2217  248.962 2.6204 239.197 2.4860 9.765015       3.611998 
1 1 1 2  18 6  o 75.178  1.7453 56.693   1.8474  79.248  2.3312 71.108  2.5981 8.140175       3.490621 
1 1 1 2  18 8  o 249.384 1.8635 623.704  6.4619  252.527 2.3319 246.241 2.9072 6.285950       3.726905 
1 1 1 2  18 10 o 343.719 2.4846 1182.67  11.971  345.024 3.2294 342.413 3.7767 2.611176       4.969204 
1 1 1 2  18 12 f 411.621 2.7992 1695.13  15.725  411.383 3.3120 411.859 4.5136 -0.4761963     5.598379 
1 1 1 2  18 14 o 255.132 1.8737 651.339  6.6603  255.492 2.3726 254.773 2.9005 0.7195129      3.747320 
1 1 1 2  18 16 o 401.895 2.6514 1613.58  14.575  399.379 3.1658 404.412 4.2541 -5.033112      5.302802 
1 1 1 2  18 18 o 350.733 2.5512 1234.47  12.251  353.803 3.0351 347.664 4.1016 6.139771       5.102458 
1 1 1 2  18 20 o 31.695  4.2716 10.336   1.8312  29.841  5.8181 33.549  6.2558 -3.708536      8.543137 
1 1 1 2  18 22 o 125.172 1.5497 156.606  2.7347  123.700 2.1002 126.643 2.2793 -2.943466      3.099387 
1 1 1 2  18 24 o 153.018 1.7603 235.378  3.5839  154.705 1.9405 151.332 2.9375 3.373474       3.520594 
1 1 1 2  18 26 o 131.303 1.6427 172.713  2.9977  131.865 2.0577 130.741 2.5611 1.123550       3.285379 
1 1 1 2  18 28 o 44.603  4.3583 20.009   1.8113  44.268  2.7387 44.939  8.2752 -0.6707916     8.716660 
1 1 1 2  18 30 o 115.110 2.2160 134.358  2.7073  116.730 1.6321 113.490 4.1205 3.239761       4.431939 
1 1 1 2  18 32 o 21.541  5.6776 3.4013   1.6916  18.169  5.5371 24.913  9.9136 -6.744761      11.35518 
1 1 1 2  18 34 o 70.295  3.2059 47.774   2.3003  67.187  2.3201 73.404  5.9774 -6.217575      6.411851 
1 1 1 2  18 36 o 44.767  4.6430 17.747   2.1721  37.658  3.8327 51.875  8.4581 -14.21780      9.285925 
1 1 1 2  18 38 o 26.685  6.1507 6.7835   2.2516  26.536  5.8157 26.835  10.840 -0.2998028     12.30135 
1 1 1 2  18 40 o 40.068  4.7805 16.364   2.1610  37.862  4.1169 42.274  8.6292 -4.411507      9.560994 
1 1 1 2  18 42 o 26.760  6.1482 7.5447   2.3792  28.305  5.7073 25.215  10.892 3.089586       12.29640 
1 1 1 2  18 44 o 21.628  6.2911 3.9537   2.9891  21.562  7.9381 21.695  9.7622 -0.1328812     12.58224 
1 1 1 2  18 46 o 17.868  8.7064 -7.5052  10.045  ?       ?      17.868  8.7064 ?              ?        
1 1 1 2  19 1  o 241.777 1.8323 584.649  6.2606  241.206 2.5371 242.349 2.6442 -1.143356      3.664540 
1 1 1 2  19 3  o 175.410 1.6828 310.803  4.0331  181.454 1.9726 169.366 2.7270 12.08833       3.365664 
1 1 1 2  19 5  o 172.735 1.5129 297.500  3.6723  176.777 2.2534 168.693 2.0192 8.083405       3.025715 
1 1 1 2  19 7  o 216.277 1.8447 467.190  5.5861  214.347 2.3971 218.207 2.8045 -3.860474      3.689375 
1 1 1 2  19 9  o 156.665 1.6994 246.557  3.5857  158.569 1.9296 154.760 2.7978 3.808792       3.398730 
1 1 1 2  19 11 o 160.559 1.5916 256.248  3.4667  157.582 1.8685 163.537 2.5771 -5.954712      3.183144 
1 1 1 2  19 13 o 66.516  1.8767 44.075   1.7376  65.174  2.3917 67.858  2.8926 -2.684273      3.753353 
1 1 1 2  19 15 o 330.262 2.4038 1090.32  11.033  328.465 3.0231 332.059 3.7380 -3.593781      4.807516 
1 1 1 2  19 17 o 225.683 1.8962 508.130  5.6992  224.046 2.1130 227.319 3.1492 -3.272171      3.792409 
1 1 1 2  19 19 o 228.008 1.8703 519.263  5.8413  226.539 2.2426 229.477 2.9938 -2.938309      3.740641 
1 1 1 2  19 21 o 85.717  1.8128 74.352   2.1553  90.705  2.2277 80.728  2.8606 9.977440       3.625681 
1 1 1 2  19 23 o 137.290 1.6226 190.859  3.0431  143.001 1.8975 131.579 2.6326 11.42157       3.245151 
1 1 1 2  19 25 f 102.391 1.8059 104.996  2.5659  102.573 2.2514 102.209 2.8242 0.3637009      3.611783 
1 1 1 2  19 27 o 46.691  3.0354 22.436   1.9336  39.950  4.9134 53.433  3.5655 -13.48309      6.070813 
1 1 1 2  19 29 o 148.701 2.1320 225.163  3.7076  152.156 1.8213 145.246 3.8555 6.909515       4.264058 
1 1 1 2  19 31 o 21.229  5.8216 2.5076   1.8828  14.299  5.7647 28.159  10.116 -13.85999      11.64329 
1 1 1 2  19 33 o 116.616 2.2506 130.866  2.9401  110.377 1.8830 122.854 4.0884 -12.47620      4.501146 
1 1 1 2  19 35 o 114.000 2.5450 126.619  2.9697  110.038 1.8363 117.962 4.7473 -7.923508      5.090089 
1 1 1 2  19 37 o 21.223  6.0913 1.9061   2.0821  19.483  5.9624 22.962  10.624 -3.479231      12.18255 
1 1 1 2  19 39 o 32.492  5.6802 12.646   2.1061  38.115  3.6352 26.869  10.763 11.24671       11.36046 
1 1 1 2  19 41 o 26.992  6.8089 5.9275   2.0457  17.571  6.0087 36.413  12.220 -18.84152      13.61775 
1 1 1 2  19 43 o 23.983  7.0636 5.7179   3.9763  24.361  9.4451 23.604  10.506 0.7573185      14.12725 
1 1 1 2  19 45 o 24.065  7.5080 5.3298   4.9920  19.732  9.2262 28.398  11.847 -8.665289      15.01608 
1 1 1 2  20 0  o 372.943 3.4837 1391.58  25.980  372.943 3.4837 ?       ?      0.000000       0.000000 
1 1 1 2  20 2  o 360.239 2.8447 1305.88  14.135  352.079 4.5257 368.399 3.4476 -16.32083      5.689328 
1 1 1 2  20 4  o 155.722 1.6864 243.051  3.6723  153.829 2.5896 157.616 2.1611 -3.787598      3.372866 
1 1 1 2  20 6  o 211.158 1.9570 443.413  5.5648  207.754 2.2509 214.561 3.2020 -6.806793      3.913948 
1 1 1 2  20 8  o 368.097 2.6047 1356.45  13.160  368.665 3.1320 367.528 4.1627 1.136993       5.209337 
1 1 1 2  20 10 o 319.116 2.3267 1020.58  10.207  320.961 2.8060 317.271 3.7121 3.689728       4.653322 
1 1 1 2  20 12 o 151.541 1.5988 230.502  3.3905  154.802 2.0512 148.280 2.4529 6.521683       3.197502 
1 1 1 2  20 14 o 227.007 1.9922 516.531  6.1950  228.375 2.3763 225.639 3.1983 2.735367       3.984419 
1 1 1 2  20 16 o 168.150 1.6716 283.074  3.9191  168.741 2.1212 167.558 2.5841 1.183136       3.343257 
1 1 1 2  20 18 o 77.726  2.0517 60.243   2.2279  76.100  2.6552 79.351  3.1285 -3.251442      4.103362 
1 1 1 2  20 20 o 102.715 1.8825 104.864  2.6348  100.482 2.2408 104.948 3.0256 -4.465431      3.764983 
1 1 1 2  20 22 o 223.665 1.8870 502.835  5.7778  226.871 2.2394 220.458 3.0377 6.412949       3.773934 
1 1 1 2  20 24 o 81.554  1.9214 66.890   2.1695  83.122  2.3615 79.985  3.0315 3.137398       3.842730 
1 1 1 2  20 26 o 113.931 1.7144 130.341  2.7177  115.466 2.1500 112.395 2.6710 3.071259       3.428792 
1 1 1 2  20 28 o 105.334 1.8615 111.019  2.7603  104.032 2.4973 106.636 2.7611 -2.604454      3.722917 
1 1 1 2  20 30 o 76.369  2.9222 60.273   2.3093  78.905  2.0487 73.833  5.4735 5.072304       5.844333 
1 1 1 2  20 32 f 25.337  6.0657 3.9914   2.0711  14.151  5.8976 36.523  10.601 -22.37232      12.13133 
1 1 1 2  20 34 o 60.771  6.2184 42.770   2.4405  66.822  2.2463 54.720  12.232 12.10236       12.43678 
1 1 1 2  20 36 o 20.101  6.4172 0.1241   2.3570  14.038  6.0060 26.164  11.342 -12.12600      12.83442 
1 1 1 2  20 38 o 26.889  5.7068 7.2457   2.0080  29.479  4.3086 24.300  10.569 5.179056       11.41358 
1 1 1 2  20 40 o 20.625  6.0181 2.1472   2.0059  13.006  5.6088 28.244  10.649 -15.23861      12.03612 
1 1 1 2  20 42 o 24.264  7.3249 5.7868   4.2111  21.980  9.2516 26.548  11.359 -4.567940      14.64971 
1 1 1 2  20 44 o 24.484  7.2475 7.4345   4.2431  23.094  9.9761 25.874  10.516 -2.780552      14.49500 
1 1 1 2  21 1  o 423.642 2.6933 1796.06  16.136  421.177 3.8106 426.107 3.8072 -4.929718      5.386634 
1 1 1 2  21 3  o 480.961 3.0718 2310.41  20.829  469.131 4.1964 492.792 4.4870 -23.66150      6.143529 
1 1 1 2  21 5  o 280.232 2.2671 782.938  8.8140  275.844 2.8464 284.621 3.5294 -8.776733      4.534162 
1 1 1 2  21 7  o 223.617 1.9542 502.223  5.9593  226.459 2.2944 220.774 3.1641 5.685104       3.908471 
1 1 1 2  21 9  o 244.823 1.9461 597.432  6.4780  242.003 2.2902 247.643 3.1472 -5.640152      3.892292 
1 1 1 2  21 11 o 146.454 1.7017 214.884  3.4391  147.270 2.0777 145.637 2.6956 1.632431       3.403384 
1 1 1 2  21 13 o 290.936 2.3285 848.730  9.5400  296.284 3.0982 285.587 3.4770 10.69714       4.657088 
1 1 1 2  21 15 o 241.431 2.0569 583.455  7.0115  251.757 2.8435 231.105 2.9727 20.65147       4.113742 
1 1 1 2  21 17 o 113.340 1.8851 129.010  2.9843  115.539 2.3985 111.142 2.9089 4.396599       3.770184 
1 1 1 2  21 19 o 19.554  5.2500 1.7719   2.1983  22.413  7.3591 16.695  7.4896 5.717867       10.50000 
1 1 1 2  21 21 o 108.180 1.9252 117.649  2.8809  110.114 2.3593 106.246 3.0430 3.868347       3.850456 
1 1 1 2  21 23 o 136.459 1.9139 187.451  3.6549  141.419 2.4494 131.499 2.9415 9.920105       3.827818 
1 1 1 2  21 25 o 27.437  5.2383 7.7567   2.0879  23.835  7.3041 31.039  7.5105 -7.203423      10.47650 
1 1 1 2  21 27 o 51.318  3.0274 26.499   2.1938  49.687  4.4153 52.950  4.1432 -3.262455      6.054844 
1 1 1 2  21 29 o 118.555 1.8999 140.783  3.1490  117.925 2.4478 119.184 2.9064 -1.258835      3.799852 
1 1 1 2  21 31 o 99.956  2.7954 99.244   2.8044  98.682  1.9306 101.230 5.2468 -2.547890      5.590744 
1 1 1 2  21 33 f 89.860  3.3229 77.372   2.7513  85.437  2.0948 94.283  6.3070 -8.846405      6.645777 
1 1 1 2  21 35 o 21.419  6.1693 2.5729   2.2058  18.297  6.3922 24.541  10.554 -6.243521      12.33854 
1 1 1 2  21 37 o 15.968  5.7442 -4.8566  2.1894  9.8574  4.7238 22.079  10.472 -12.22112      11.48841 
1 1 1 2  21 39 o 17.337  5.6369 -0.3913  2.0228  13.803  5.6922 20.872  9.7313 -7.068192      11.27380 
1 1 1 2  21 41 o 14.650  4.9911 -2.2940  1.8736  11.827  5.1661 17.473  8.5414 -5.645163      9.982182 
1 1 1 2  21 43 o 21.199  6.8229 1.9585   4.3965  20.110  9.0442 22.288  10.218 -2.178106      13.64579 
1 1 1 2  22 0  o 186.587 2.7861 348.472  10.392  186.587 2.7861 ?       ?      0.000000       0.000000 
1 1 1 2  22 2  o 104.065 1.7524 108.398  2.5662  96.328  2.5771 111.803 2.3753 -15.47508      3.504816 
1 1 1 2  22 4  o 134.390 1.5956 180.746  3.0307  132.671 2.3063 136.109 2.2056 -3.437637      3.191233 
1 1 1 2  22 6  o 87.800  1.7747 77.351   2.0999  88.530  2.0216 87.070  2.9175 1.460716       3.549413 
1 1 1 2  22 8  o 69.349  2.2970 48.799   2.1391  72.063  2.5636 66.634  3.8122 5.429153       4.594018 
1 1 1 2  22 10 o 132.193 1.7238 174.239  3.1456  130.433 2.1246 133.952 2.7152 -3.519241      3.447663 
1 1 1 2  22 12 o 235.290 2.0681 556.614  6.6498  238.925 2.4405 231.655 3.3395 7.270462       4.136222 
1 1 1 2  22 14 o 99.786  2.0436 100.570  2.7712  102.636 2.3625 96.936  3.3352 5.700294       4.087172 
1 1 1 2  22 16 o 102.295 1.7865 101.608  2.3975  95.544  1.9940 109.046 2.9648 -13.50226      3.572988 
1 1 1 2  22 18 o 145.290 2.1264 215.989  4.1006  153.565 2.2933 137.014 3.5816 16.55092       4.252839 
1 1 1 2  22 20 o 49.038  3.0928 24.182   2.1299  49.988  4.0422 48.087  4.6822 1.900429       6.185699 
1 1 1 2  22 22 o 20.789  5.4611 2.4788   2.2508  15.774  6.8621 25.804  8.4975 -10.02987      10.92228 
1 1 1 2  22 24 o 72.340  2.2575 51.581   2.2386  68.144  2.7958 76.536  3.5453 -8.391449      4.515031 
1 1 1 2  22 26 o 73.123  2.2376 53.691   2.3093  75.808  3.0462 70.439  3.2784 5.368729       4.475233 
1 1 1 2  22 28 o 95.109  2.0634 90.712   2.7603  94.764  2.7415 95.454  3.0846 -0.6896057     4.126783 
1 1 1 2  22 30 o 43.166  3.4090 18.878   2.0784  41.896  4.9608 44.437  4.6771 -2.541130      6.817981 
1 1 1 2  22 32 o 29.493  6.6074 7.5020   2.1610  23.315  5.9279 35.671  11.811 -12.35652      13.21485 
1 1 1 2  22 34 f 23.024  5.7438 3.9390   2.1377  24.177  5.7972 21.871  9.9175 2.306240       11.48756 
1 1 1 2  22 36 o 24.340  6.3509 4.9980   2.0740  20.786  6.0339 27.893  11.177 -7.106199      12.70188 
1 1 1 2  22 38 o 20.361  5.8715 2.8019   2.0322  15.747  6.1239 24.976  10.020 -9.229630      11.74292 
1 1 1 2  22 40 o 25.780  6.7063 6.0734   2.0322  17.016  5.9914 34.545  12.000 -17.52858      13.41257 
1 1 1 2  22 42 o 23.290  7.0690 4.9519   4.4370  25.328  10.018 21.252  9.9756 4.076393       14.13794 
1 1 1 2  23 1  o 262.871 2.1278 691.407  7.9076  268.062 2.9936 257.680 3.0246 10.38232       4.255609 
1 1 1 2  23 3  o 246.229 1.9228 606.022  6.6890  251.968 2.7495 240.490 2.6887 11.47816       3.845624 
1 1 1 2  23 5  o 218.724 1.9727 479.303  6.0841  221.975 2.6529 215.472 2.9205 6.503036       3.945487 
1 1 1 2  23 7  o 214.983 1.8511 464.833  5.5172  219.978 2.2833 209.988 2.9143 9.989944       3.702207 
1 1 1 2  23 9  o 99.664  1.8607 99.146   2.5351  98.807  2.2203 100.522 2.9865 -1.714165      3.721419 
1 1 1 2  23 11 o 236.060 2.0333 560.698  6.5850  240.446 2.4251 231.674 3.2645 8.771896       4.066662 
1 1 1 2  23 13 o 189.626 1.7604 358.643  4.5559  187.579 2.0929 191.673 2.8313 -4.094254      3.520848 
1 1 1 2  23 15 o 121.522 1.8379 146.957  3.0868  118.689 2.2862 124.355 2.8784 -5.666763      3.675801 
1 1 1 2  23 17 o 169.911 1.7715 288.372  4.1991  168.093 2.2668 171.730 2.7231 -3.636826      3.543086 
1 1 1 2  23 19 o 277.679 2.1925 774.300  8.4566  280.899 2.7335 274.459 3.4287 6.439240       4.384975 
1 1 1 2  23 21 o 192.686 2.0586 371.535  5.3065  192.099 2.3141 193.273 3.4053 -1.173981      4.117165 
1 1 1 2  23 23 o 37.710  4.8385 14.269   2.4759  30.873  7.0680 44.546  6.6097 -13.67273      9.676987 
1 1 1 2  23 25 o 159.246 1.8332 253.853  4.0331  158.722 2.2551 159.770 2.8908 -1.048172      3.666353 
1 1 1 2  23 27 o 117.924 1.9130 139.715  3.0699  118.614 2.2389 117.233 3.1025 1.380440       3.825984 
1 1 1 2  23 29 o 32.015  5.2484 11.081   2.4370  38.227  5.8899 25.803  8.6885 12.42440       10.49673 
1 1 1 2  23 31 o 21.346  5.4711 3.4625   2.2771  17.873  7.5910 24.818  7.8808 -6.945974      10.94216 
1 1 1 2  23 33 o 43.421  6.4761 21.119   2.5030  46.487  3.4773 40.354  12.477 6.133801       12.95215 
1 1 1 2  23 35 o 46.425  5.7626 22.655   2.3174  46.281  3.2433 46.569  11.059 -0.2880058     11.52511 
1 1 1 2  23 37 o 42.797  5.7767 22.056   2.3082  48.084  3.2418 37.510  11.089 10.57459       11.55347 
1 1 1 2  23 39 o 31.058  6.3350 11.807   2.3184  34.084  4.2345 28.031  11.941 6.053354       12.66991 
1 1 1 2  23 41 o 24.172  5.9857 6.7865   2.5681  26.475  6.5657 21.869  10.010 4.605721       11.97133 
1 1 1 2  23 43 o 20.047  6.6412 0.0906   4.6099  19.568  8.8162 20.526  9.9347 -0.9588261     13.28243 
1 1 1 2  24 0  o 126.061 2.2456 159.110  5.6578  126.061 2.2456 ?       ?      0.000000       0.000000 
1 1 1 2  24 2  o 234.683 1.9131 550.425  6.3374  229.846 2.6374 239.520 2.7719 -9.674484      3.826107 
1 1 1 2  24 4  o 294.122 2.1302 865.378  8.8543  288.273 2.9840 299.972 3.0409 -11.69904      4.260416 
1 1 1 2  24 6  f 221.128 1.8768 488.578  5.7344  219.613 2.3134 222.642 2.9561 -3.028366      3.753674 
1 1 1 2  24 8  o 247.550 2.0791 615.856  7.1500  252.124 2.5875 242.977 3.2552 9.147186       4.158298 
1 1 1 2  24 10 o 115.338 1.7044 132.488  2.7279  112.921 2.1473 117.755 2.6475 -4.833771      3.408818 
1 1 1 2  24 12 o 170.692 1.6750 291.684  3.9524  170.895 2.0607 170.488 2.6413 0.4072113      3.350087 
1 1 1 2  24 14 o 177.377 1.7924 314.705  4.3374  176.996 2.1202 177.758 2.8905 -0.7619019     3.584734 
1 1 1 2  24 16 o 111.656 2.0483 123.753  3.0895  108.894 2.3858 114.418 3.3302 -5.523293      4.096595 
1 1 1 2  24 18 o 123.919 1.8739 156.303  3.1602  130.973 2.1599 116.865 3.0628 14.10783       3.747828 
1 1 1 2  24 20 o 96.022  2.2775 94.037   2.9310  100.719 2.5221 91.325  3.7930 9.393509       4.554945 
1 1 1 2  24 22 o 48.458  3.4972 22.216   2.2584  40.091  4.4641 56.826  5.3846 -16.73462      6.994420 
1 1 1 2  24 24 o 132.836 1.9920 177.736  3.6371  135.245 2.3905 130.427 3.1870 4.818359       3.983902 
1 1 1 2  24 26 o 31.024  5.2445 10.268   2.3318  35.369  5.8762 26.679  8.6885 8.690649       10.48901 
1 1 1 2  24 28 o 34.988  5.8098 13.144   2.7994  34.091  7.6414 35.885  8.7535 -1.793617      11.61963 
1 1 1 2  24 30 o 55.982  3.1800 31.775   2.5110  58.707  4.3270 53.258  4.6613 5.449413       6.360042 
1 1 1 2  24 32 o 38.210  4.4292 15.576   2.2801  43.269  5.2036 33.151  7.1689 10.11788       8.858367 
1 1 1 2  24 34 o 40.045  5.6279 16.803   2.2923  39.214  3.9750 40.876  10.530 -1.662052      11.25571 
1 1 1 2  24 36 o 52.075  6.3665 29.654   2.4239  53.019  2.8312 51.131  12.414 1.887985       12.73292 
1 1 1 2  24 38 o 48.640  5.7166 27.179   2.3856  50.359  3.0953 46.920  11.006 3.438324       11.43312 
1 1 1 2  24 40 o 27.964  5.6622 9.9300   2.1553  32.180  4.3057 23.748  10.474 8.432066       11.32448 
1 1 1 2  24 42 o 22.408  7.2478 4.7139   4.6099  18.492  8.5075 26.323  11.736 -7.831306      14.49552 
1 1 1 2  25 1  o 176.802 1.8238 312.406  4.5543  170.914 2.5672 182.691 2.5913 -11.77678      3.647623 
1 1 1 2  25 3  o 42.493  3.7159 18.126   2.2193  38.966  5.4819 46.019  5.0181 -7.053444      7.431881 
1 1 1 2  25 5  o 200.464 1.9934 403.351  5.5280  202.719 2.4492 198.208 3.1457 4.511871       3.986750 
1 1 1 2  25 7  o 325.443 2.9200 1055.51  12.019  322.068 2.9219 328.819 5.0565 -6.751495      5.840030 
1 1 1 2  25 9  o 244.367 2.1486 600.462  7.0319  247.131 2.4062 241.602 3.5604 5.529037       4.297266 
1 1 1 2  25 11 o 90.595  2.1261 79.593   2.5365  84.094  2.4028 97.095  3.5081 -13.00113      4.252104 
1 1 1 2  25 13 o 114.017 2.0530 131.213  3.1299  116.425 2.2810 111.609 3.4140 4.816597       4.105916 
1 1 1 2  25 15 o 51.937  3.2748 26.515   2.1966  49.768  3.4801 54.105  5.5486 -4.337379      6.549651 
1 1 1 2  25 17 o 181.863 1.7784 332.345  4.4788  184.480 2.1906 179.245 2.8021 5.235184       3.556798 
1 1 1 2  25 19 o 54.269  3.5736 30.302   2.6105  57.935  3.9860 50.604  5.9324 7.330204       7.147197 
1 1 1 2  25 21 o 86.129  2.4941 77.487   2.7525  93.721  2.4640 78.538  4.3370 15.18307       4.988117 
1 1 1 2  25 23 o 107.134 2.1296 114.702  3.0483  106.099 2.3942 108.169 3.5226 -2.069878      4.259199 
1 1 1 2  25 25 f 78.945  2.4761 62.602   2.6909  78.570  3.0126 79.321  3.9303 -0.7507782     4.952106 
1 1 1 2  25 27 o 60.257  3.3864 36.706   2.8762  56.957  4.7640 63.558  4.8142 -6.601467      6.772899 
1 1 1 2  25 29 o 50.063  3.6424 25.298   2.5143  48.688  4.5059 51.437  5.7241 -2.749218      7.284827 
1 1 1 2  25 31 o 20.898  5.8725 2.8866   2.5980  20.411  8.2380 21.386  8.3715 -0.9755135     11.74506 
1 1 1 2  25 33 o 52.439  3.5659 28.532   2.6265  48.550  5.3511 56.328  4.7147 -7.777828      7.131815 
1 1 1 2  25 35 o 25.473  6.3691 6.4539   2.4967  25.282  6.5652 25.664  10.916 -0.3823776     12.73817 
1 1 1 2  25 37 o 17.949  6.0067 -0.2363  2.3923  13.589  5.9131 22.309  10.457 -8.719449      12.01332 
1 1 1 2  25 39 o 17.419  5.8747 -0.0853  2.1054  11.008  5.0936 23.830  10.588 -12.82203      11.74944 
1 1 1 2  25 41 o 22.647  6.6572 5.5586   3.8355  24.978  9.2442 20.316  9.5823 4.662176       13.31448 
1 1 1 2  26 0  o 310.277 3.2384 963.783  20.091  310.277 3.2384 ?       ?      0.000000       0.000000 
1 1 1 2  26 2  o 171.519 1.8221 293.894  4.3937  174.166 2.7181 168.872 2.4273 5.293854       3.644151 
1 1 1 2  26 4  o 88.806  2.1961 78.913   2.4436  88.709  2.1477 88.902  3.8314 -0.1934204     4.392268 
1 1 1 2  26 6  o 280.211 2.1395 783.424  8.2707  276.349 2.6323 284.073 3.3736 -7.723663      4.279052 
1 1 1 2  26 8  o 262.126 2.2516 688.470  8.3398  264.181 3.1032 260.070 3.2632 4.111725       4.503135 
1 1 1 2  26 10 f 39.260  5.3358 15.815   2.4236  39.553  4.5248 38.967  9.6649 0.5859947      10.67159 
1 1 1 2  26 12 o 137.364 1.7800 187.866  3.2653  135.443 2.0034 139.286 2.9429 -3.842911      3.560046 
1 1 1 2  26 14 o 192.462 2.0995 369.247  5.3120  190.228 2.2762 194.697 3.5286 -4.468292      4.199077 
1 1 1 2  26 16 o 186.715 1.9873 348.606  5.0702  185.416 2.3664 188.015 3.1934 -2.598572      3.974656 
1 1 1 2  26 18 o 71.601  2.7491 49.882   2.6926  63.639  3.5380 79.563  4.2086 -15.92376      5.498135 
1 1 1 2  26 20 o 109.824 2.0518 119.740  3.0063  107.150 2.3168 112.498 3.3870 -5.348595      4.103605 
1 1 1 2  26 22 o 122.931 2.0108 152.354  3.3475  124.757 2.3138 121.105 3.2893 3.651352       4.021599 
1 1 1 2  26 24 o 72.001  3.0888 52.971   3.0560  75.402  3.6752 68.599  4.9654 6.802658       6.177507 
1 1 1 2  26 26 o 27.397  5.9243 7.2512   2.8577  33.670  7.8526 21.124  8.8729 12.54647       11.84869 
1 1 1 2  26 28 o 23.974  5.6877 4.1290   2.7469  29.412  7.6021 18.537  8.4622 10.87491       11.37548 
1 1 1 2  26 30 o 48.595  4.0042 24.375   2.7347  44.405  5.8506 52.785  5.4686 -8.380211      8.008439 
1 1 1 2  26 32 o 65.825  3.1259 43.969   2.8809  60.618  4.2858 71.032  4.5515 -10.41425      6.251733 
1 1 1 2  26 34 o 37.506  7.2393 16.298   3.3842  35.001  7.1747 40.011  12.576 -5.009617      14.47864 
1 1 1 2  26 36 o 29.989  6.6259 9.7531   2.3453  23.092  6.4850 36.885  11.557 -13.79275      13.25189 
1 1 1 2  26 38 o 23.216  6.0201 6.1525   2.4576  24.111  6.7047 22.322  10.001 1.788874       12.04011 
1 1 1 2  27 1  o 395.765 2.6097 1570.15  14.606  396.866 3.6804 394.663 3.7009 2.202698       5.219423 
1 1 1 2  27 3  o 200.488 1.9893 402.906  5.6169  202.330 2.6536 198.646 2.9644 3.683716       3.978641 
1 1 1 2  27 5  o 168.078 1.7517 284.327  4.1034  172.987 2.2027 163.169 2.7244 9.818176       3.503440 
1 1 1 2  27 7  o 157.117 1.7413 247.497  3.7904  158.111 2.1543 156.124 2.7364 1.987610       3.482674 
1 1 1 2  27 9  o 115.948 2.1357 135.710  3.2653  118.034 2.2988 113.862 3.6000 4.172112       4.271360 
1 1 1 2  27 11 o 167.875 2.1285 284.547  4.6872  170.772 2.2650 164.978 3.6044 5.794098       4.256993 
1 1 1 2  27 13 o 61.405  3.1726 37.623   2.5906  60.300  3.5424 62.510  5.2643 -2.209869      6.345246 
1 1 1 2  27 15 o 74.728  3.0100 56.892   2.9030  76.934  3.0767 72.523  5.1744 4.411407       6.019989 
1 1 1 2  27 17 f 21.465  5.5387 1.6766   2.6256  25.918  7.6928 17.012  7.9706 8.905664       11.07748 
1 1 1 2  27 19 o 88.750  2.5644 77.707   2.8919  85.782  2.6247 91.718  4.4062 -5.935074      5.128726 
1 1 1 2  27 21 o 84.488  2.6292 71.393   2.9460  83.272  2.9118 85.704  4.3786 -2.431641      5.258391 
1 1 1 2  27 23 f 105.591 2.5040 114.336  3.5785  111.810 2.8399 99.371  4.1250 12.43976       5.008005 
1 1 1 2  27 25 o 143.263 1.9870 206.661  3.9158  144.382 2.3991 142.143 3.1680 2.238358       3.973940 
1 1 1 2  27 27 o 67.647  2.9141 45.974   2.6942  65.833  3.5078 69.460  4.6545 -3.627083      5.828270 
1 1 1 2  27 29 o 37.219  5.5138 14.556   2.8719  27.274  8.3335 47.164  7.2221 -19.88998      11.02750 
1 1 1 2  27 31 o 20.469  6.0262 1.8418   2.8720  20.665  8.0879 20.274  8.9357 0.3915100      12.05242 
1 1 1 2  27 33 o 25.300  6.1804 7.0163   2.6827  22.062  8.2162 28.539  9.2349 -6.477152      12.36081 
1 1 1 2  27 35 o 17.904  5.9027 -1.8542  3.1379  14.001  6.5974 21.808  9.7898 -7.807243      11.80532 
1 1 1 2  27 37 o 21.736  5.4756 5.0614   2.2814  24.332  6.6803 19.139  8.6777 5.193565       10.95118 
1 1 1 2  28 0  o 39.513  7.4798 17.204   5.3114  39.513  7.4798 ?       ?      0.000000       0.000000 
1 1 1 2  28 2  o 118.357 1.8865 140.688  3.1461  113.307 2.8024 123.408 2.5262 -10.10072      3.772930 
1 1 1 2  28 4  o 49.771  3.9200 24.329   2.5815  46.846  4.4365 52.696  6.4639 -5.849155      7.839975 
1 1 1 2  28 6  o 129.001 2.0547 168.324  3.4823  131.830 2.1896 126.172 3.4775 5.657867       4.109460 
1 1 1 2  28 8  o 84.545  2.7655 74.632   2.8147  90.024  2.4369 79.066  4.9652 10.95744       5.531002 
1 1 1 2  28 10 o 93.491  2.3872 87.584   2.9460  93.276  2.5995 93.705  4.0047 -0.4283905     4.774433 
1 1 1 2  28 12 o 190.748 2.0448 368.153  5.2681  196.172 2.3249 185.325 3.3644 10.84760       4.089566 
1 1 1 2  28 14 f 119.605 2.0576 143.462  3.3475  119.796 2.4096 119.414 3.3359 0.3814926      4.115140 
1 1 1 2  28 16 o 101.409 2.5260 101.433  3.3699  97.281  2.7892 105.536 4.2122 -8.254295      5.051987 
1 1 1 2  28 18 o 90.284  2.8056 82.405   3.3437  91.241  3.0372 89.326  4.7181 1.914963       5.611107 
1 1 1 2  28 20 o 69.015  3.1444 46.807   2.7997  65.246  3.3624 72.784  5.3145 -7.538177      6.288830 
1 1 1 2  28 22 o 54.578  4.1386 29.589   3.0666  49.862  5.0945 59.293  6.5236 -9.430733      8.277176 
1 1 1 2  28 24 o 29.638  5.7241 9.3305   2.7024  36.311  7.2523 22.965  8.8580 13.34646       11.44816 
1 1 1 2  28 26 o 34.784  6.1359 13.381   2.9237  37.779  6.1126 31.790  10.641 5.989491       12.27188 
1 1 1 2  28 28 o 56.183  4.1592 32.858   3.1697  56.025  4.8432 56.341  6.7630 -0.3157272     8.318326 
1 1 1 2  28 30 o 25.646  6.4181 6.9164   2.8512  22.835  8.3422 28.458  9.7559 -5.622616      12.83625 
1 1 1 2  28 32 o 18.463  5.6970 0.4071   2.7640  16.431  7.3474 20.495  8.7084 -4.063461      11.39390 
1 1 1 2  28 34 o 32.033  6.0857 12.974   2.8100  29.284  8.4203 34.781  8.7888 -5.496637      12.17147 
1 1 1 2  28 36 o 23.652  6.4783 5.2102   3.6264  27.326  8.6702 19.977  9.6281 7.348709       12.95657 
1 1 1 2  29 1  o 153.502 1.8884 236.044  4.0957  154.433 2.7290 152.571 2.6109 1.862610       3.776820 
1 1 1 2  29 3  o 33.882  5.6623 11.654   2.5204  30.347  6.8244 37.417  9.0375 -7.070110      11.32470 
1 1 1 2  29 5  o 64.562  3.1000 42.025   2.5815  65.001  3.1974 64.123  5.3120 0.8778763      6.200072 
1 1 1 2  29 7  o 149.931 1.9363 225.578  4.0110  150.815 2.3734 149.046 3.0600 1.768997       3.872550 
1 1 1 2  29 9  o 263.766 2.2500 701.648  8.0777  268.677 2.6215 258.855 3.6577 9.822083       4.500090 
1 1 1 2  29 11 f 179.406 1.9628 323.241  4.6924  180.310 2.1773 178.502 3.2666 1.807327       3.925699 
1 1 1 2  29 13 o 180.467 1.9810 330.156  4.8978  187.647 2.3383 173.288 3.1983 14.35896       3.961904 
1 1 1 2  29 15 o 69.697  3.1029 49.308   2.9310  71.154  3.5700 68.241  5.0761 2.913155       6.205780 
1 1 1 2  29 17 o 44.003  7.3321 21.245   3.3773  46.916  4.7991 41.089  13.857 5.827106       14.66421 
1 1 1 2  29 19 o 62.449  3.4577 39.050   2.9097  60.188  4.0287 64.710  5.6207 -4.522507      6.915350 
1 1 1 2  29 21 o 87.803  2.9180 80.132   3.3677  94.258  3.0625 81.348  4.9679 12.91055       5.835966 
1 1 1 2  29 23 o 61.625  4.1880 38.858   3.4220  61.311  4.6140 61.939  6.9906 -0.6275940     8.375994 
1 1 1 2  29 25 o 38.039  5.7977 14.965   2.8920  29.685  7.7112 46.392  8.6597 -16.70641      11.59540 
1 1 1 2  29 27 o 20.496  6.2659 0.6024   3.2772  19.294  8.3366 21.698  9.3567 -2.404291      12.53183 
1 1 1 2  29 29 o 16.020  5.3043 -4.7307  2.8719  12.756  6.1904 19.284  8.6152 -6.528146      10.60860 
1 1 1 2  29 31 o 33.767  6.5847 14.522   3.2044  33.697  8.4121 33.837  10.133 -0.1403847     13.16949 
1 1 1 2  29 33 o 19.414  5.9601 1.6906   3.0326  16.684  7.5859 22.144  9.1948 -5.460144      11.92021 
1 1 1 2  29 35 o 20.112  6.1196 3.7076   3.1398  19.177  8.3537 21.047  8.9451 -1.869333      12.23928 
1 1 1 2  30 0  o 31.734  9.6106 12.586   5.3114  31.734  9.6106 ?       ?      0.000000       0.000000 
1 1 1 2  30 2  o 121.710 2.0511 150.410  3.4293  127.978 2.4360 115.443 3.3006 12.53448       4.102214 
1 1 1 2  30 4  o 162.047 1.8521 264.094  4.1860  165.211 2.3413 158.884 2.8706 6.327347       3.704288 
1 1 1 2  30 6  o 97.830  2.2121 97.459   2.8922  101.835 2.4377 93.824  3.6919 8.011162       4.424146 
1 1 1 2  30 8  o 90.306  2.3314 81.309   2.9258  87.412  2.9721 93.199  3.5928 -5.786568      4.662790 
1 1 1 2  30 10 o 140.611 1.9961 197.458  3.8035  138.743 2.3302 142.479 3.2416 -3.736038      3.992209 
1 1 1 2  30 12 o 14.448  4.8477 -5.8557  2.5732  13.111  6.2513 15.784  7.4109 -2.672504      9.695335 
1 1 1 2  30 14 o 62.349  3.9682 39.610   3.2408  62.806  4.2284 61.891  6.7162 0.9152946      7.936410 
1 1 1 2  30 16 o 44.997  5.8447 22.878   3.0608  50.618  4.6762 39.376  10.713 11.24293       11.68937 
1 1 1 2  30 18 o 27.699  6.5792 6.7794   3.1670  20.812  8.4657 34.586  10.074 -13.77340      13.15842 
1 1 1 2  30 20 o 58.150  4.7151 33.205   3.3476  53.836  4.6112 62.463  8.2259 -8.627666      9.430203 
1 1 1 2  30 22 o 23.031  6.5407 3.2545   3.0892  22.407  8.1498 23.654  10.232 -1.247618      13.08134 
1 1 1 2  30 24 o 19.236  5.9144 0.1332   2.8911  18.078  7.6808 20.393  8.9959 -2.315163      11.82886 
1 1 1 2  30 26 o 26.516  6.6049 7.4370   3.0703  27.336  8.5604 25.695  10.061 1.641058       13.20973 
1 1 1 2  30 28 o 20.721  6.2116 2.1906   3.0063  19.015  7.9076 22.428  9.5816 -3.413513      12.42329 
1 1 1 2  30 30 f 42.538  5.9838 21.852   3.3189  41.781  6.4944 43.294  10.052 -1.513115      11.96762 
1 1 1 2  30 32 o 19.456  5.9240 2.3376   3.0064  20.251  8.2706 18.660  8.4837 1.590727       11.84805 
1 1 1 2  30 34 o 30.250  6.6740 14.037   3.2165  26.044  9.2070 34.456  9.6644 -8.411516      13.34804 
1 1 1 2  31 1  o 25.560  6.5109 5.5456   2.6128  22.432  7.3591 28.688  10.743 -6.256441      13.02181 
1 1 1 2  31 3  o 50.601  4.0679 24.923   2.6268  46.769  4.3204 54.433  6.8939 -7.664219      8.135895 
1 1 1 2  31 5  o 68.355  3.2068 47.271   2.9097  68.859  3.5213 67.851  5.3605 1.008026       6.413609 
1 1 1 2  31 7  o 91.613  2.6179 84.038   3.2280  90.342  3.0035 92.885  4.2887 -2.543434      5.235807 
1 1 1 2  31 9  f 54.408  4.3383 31.054   2.8770  57.328  3.9275 51.488  7.7368 5.840332       8.676631 
1 1 1 2  31 11 o 95.791  2.5671 92.131   3.2408  95.106  2.7923 96.476  4.3086 -1.370087      5.134288 
1 1 1 2  31 13 o 72.517  3.3727 54.566   3.1196  76.084  3.3387 68.951  5.8611 7.133125       6.745328 
1 1 1 2  31 15 o 23.121  6.4568 3.2850   3.1290  23.672  8.7144 22.570  9.5300 1.102472       12.91361 
1 1 1 2  31 17 o 135.833 2.1128 185.257  3.9025  134.935 2.4815 136.731 3.4201 -1.795593      4.225522 
1 1 1 2  31 19 o 102.322 2.2758 106.129  3.2310  104.528 2.8168 100.115 3.5753 4.413063       4.551603 
1 1 1 2  31 21 o 85.004  3.0252 74.645   3.3189  87.916  3.0864 82.092  5.2041 5.823921       6.050499 
1 1 1 2  31 23 o 51.773  4.8767 28.160   3.2922  51.072  5.1999 52.473  8.2517 -1.401352      9.753410 
1 1 1 2  31 25 o 25.036  6.6158 5.9815   3.2883  27.288  8.9674 22.783  9.7293 4.504642       13.23152 
1 1 1 2  31 27 o 33.301  6.7508 13.809   3.2653  33.850  8.1101 32.752  10.794 1.098015       13.50152 
1 1 1 2  31 29 o 16.583  5.4801 -2.2614  2.8463  14.034  6.5471 19.132  8.7899 -5.097764      10.96025 
1 1 1 2  31 31 o 31.311  6.8926 13.817   3.3060  29.542  8.9783 33.080  10.460 -3.537857      13.78512 
1 1 1 2  31 33 o 18.799  6.0290 1.4453   3.1534  15.298  7.0661 22.300  9.7707 -7.001406      12.05803 
1 1 1 2  32 0  o 200.313 3.5475 403.087  14.202  200.313 3.5475 ?       ?      0.000000       0.000000 
1 1 1 2  32 2  o 150.607 2.0770 228.879  4.1790  152.333 2.3118 148.881 3.4512 3.452515       4.153954 
1 1 1 2  32 4  o 19.163  5.8240 -0.1362  2.8300  19.068  7.9173 19.258  8.5435 -0.1900558     11.64794 
1 1 1 2  32 6  o 44.181  4.8727 18.483   2.6666  38.127  5.1483 50.236  8.2744 -12.10904      9.745337 
1 1 1 2  32 8  o 33.294  6.4059 12.157   3.1299  36.706  7.4944 29.883  10.391 6.822819       12.81182 
1 1 1 2  32 10 o 66.659  3.6477 44.265   3.2144  63.591  4.0854 69.726  6.0443 -6.135067      7.295482 
1 1 1 2  32 12 o 129.338 2.1740 168.224  3.8231  129.305 2.5450 129.372 3.5254 -0.6736755E-01 4.347993 
1 1 1 2  32 14 o 110.345 2.5363 122.660  3.6742  109.951 2.7304 110.739 4.2750 -0.7887421     5.072499 
1 1 1 2  32 16 o 62.253  3.8796 37.976   3.2020  55.196  4.6022 69.311  6.2471 -14.11454      7.759295 
1 1 1 2  32 18 o 76.970  3.3034 60.759   3.4072  77.979  3.7018 75.960  5.4722 2.018570       6.606702 
1 1 1 2  32 20 o 77.020  3.4673 61.871   3.5458  79.656  3.7688 74.384  5.8210 5.271111       6.934560 
1 1 1 2  32 22 o 60.161  4.8613 41.049   3.5785  67.913  4.3354 52.409  8.7024 15.50419       9.722542 
1 1 1 2  32 24 o 19.928  6.4410 -2.2816  3.7688  19.017  8.1494 20.838  9.9767 -1.820723      12.88201 
1 1 1 2  32 26 o 20.496  6.2225 2.6278   3.0937  19.753  7.9645 21.239  9.5628 -1.485153      12.44506 
1 1 1 2  32 28 o 18.635  6.0389 -1.4821  3.3854  13.988  6.7494 23.282  10.016 -9.294251      12.07771 
1 1 1 2  32 30 o 24.495  6.5836 7.7972   3.4525  28.332  9.4138 20.658  9.2062 7.673954       13.16712 
1 1 1 2  33 1  o 51.314  4.9959 29.145   3.2072  61.092  4.8195 41.536  8.7527 19.55589       9.991848 
1 1 1 2  33 3  o 81.645  3.2882 68.626   3.3568  84.279  3.1511 79.011  5.7724 5.267593       6.576493 
1 1 1 2  33 5  o 21.750  6.4176 1.6825   2.9691  18.014  7.5668 25.485  10.368 -7.470705      12.83529 
1 1 1 2  33 7  o 107.404 2.4750 114.081  3.4342  103.386 2.6246 111.423 4.1969 -8.037727      4.949972 
1 1 1 2  33 9  o 95.422  3.0092 92.323   3.9208  95.647  3.5612 95.197  4.8516 0.4505463      6.018345 
1 1 1 2  33 11 o 117.941 2.3363 140.076  3.7983  117.224 2.8565 118.659 3.6977 -1.435776      4.672515 
1 1 1 2  33 13 o 109.210 2.4748 120.510  3.6843  108.508 2.9263 109.912 3.9920 -1.403770      4.949644 
1 1 1 2  33 15 o 52.564  4.3813 28.343   3.1083  50.724  5.1217 54.403  7.1100 -3.679119      8.762639 
1 1 1 2  33 17 o 21.885  6.5103 1.7073   3.1402  16.836  7.4507 26.934  10.678 -10.09803      13.02056 
1 1 1 2  33 19 o 61.355  3.9185 37.968   3.0260  57.519  4.0148 65.190  6.7305 -7.670929      7.836996 
1 1 1 2  33 21 o 75.316  2.8647 58.521   2.9121  75.644  3.2818 74.988  4.6963 0.6564560      5.729377 
1 1 1 2  33 23 o 30.642  6.1734 11.826   3.1238  37.351  7.6825 23.932  9.6654 13.41895       12.34671 
1 1 1 2  33 25 f 18.815  5.8221 0.0266   3.0396  19.674  7.8347 17.957  8.6143 1.716763       11.64427 
1 1 1 2  33 27 o 25.135  6.7046 7.7881   3.6208  28.866  9.2243 21.405  9.7323 7.461300       13.40920 
1 1 1 2  33 29 o 27.837  7.2572 13.030   3.7348  28.383  9.3262 27.290  11.122 1.092966       14.51442 
1 1 1 2  34 0  o 93.430  3.5332 88.099   6.5815  93.430  3.5332 ?       ?      0.000000       0.000000 
1 1 1 2  34 2  o 97.388  2.6108 95.865   3.5459  97.343  3.3213 97.433  4.0292 -0.8980560E-01 5.221634 
1 1 1 2  34 4  o 65.449  3.2851 43.335   2.8911  64.441  3.7628 66.458  5.3860 -2.016800      6.570186 
1 1 1 2  34 6  o 34.717  5.9032 13.465   2.9310  39.708  6.3973 29.725  9.9230 9.982153       11.80639 
1 1 1 2  34 8  o 31.972  6.2336 11.238   2.8512  29.264  8.1728 34.680  9.4148 -5.415253      12.46728 
1 1 1 2  34 10 o 58.841  4.1427 35.732   3.3941  58.133  5.2635 59.548  6.3988 -1.414848      8.285410 
1 1 1 2  34 12 o 57.544  3.8892 33.616   3.0703  52.793  4.9211 62.295  6.0239 -9.502838      7.778433 
1 1 1 2  34 14 o 32.574  6.4417 12.241   3.3362  38.776  7.2662 26.371  10.639 12.40450       12.88338 
1 1 1 2  34 16 o 17.900  5.8244 -3.3218  3.2922  17.146  7.6349 18.655  8.7980 -1.509140      11.64888 
1 1 1 2  34 18 o 33.008  6.1070 12.756   2.7643  33.076  7.0198 32.941  9.9951 0.1341476      12.21391 
1 1 1 2  34 20 o 22.672  6.0380 2.7915   3.2582  27.748  8.6482 17.597  8.4284 10.15119       12.07596 
1 1 1 2  34 22 o 28.948  7.2768 10.602   3.6135  22.493  8.8813 35.403  11.529 -12.91041      14.55356 
1 1 1 2  34 24 o 25.281  6.1055 7.2960   3.2468  31.555  8.4342 19.008  8.8301 12.54767       12.21095 
1 1 1 2  34 26 o 24.170  6.7617 7.3957   3.7823  27.419  9.4905 20.921  9.6340 6.498064       13.52345 
1 1 1 2  35 1  o 15.910  5.0547 -1.7598  2.3538  15.556  6.8594 16.264  7.4261 -0.7082586     10.10935 
1 1 1 2  35 3  o 45.878  6.0373 23.946   3.5458  50.942  5.8931 40.814  10.539 10.12748       12.07463 
1 1 1 2  35 5  o 45.374  6.1872 26.086   3.2921  56.523  4.4941 34.224  11.529 22.29909       12.37438 
1 1 1 2  35 7  o 25.734  6.5928 5.4694   3.2087  18.866  8.1189 32.603  10.389 -13.73689      13.18555 
1 1 1 2  35 9  o 23.966  6.7981 4.2731   3.4067  21.936  8.8046 25.995  10.360 -4.059063      13.59629 
1 1 1 2  35 11 o 44.016  5.0598 20.893   2.9716  42.595  5.9637 45.437  8.1755 -2.842476      10.11955 
1 1 1 2  35 13 o 92.579  3.1380 87.676   3.8301  90.531  3.4436 94.627  5.2469 -4.095558      6.276028 
1 1 1 2  35 15 o 61.321  4.5711 41.381   3.5528  64.786  4.4556 57.856  7.9829 6.929993       9.142156 
1 1 1 2  35 17 o 56.722  4.4083 33.887   3.3250  50.887  5.2188 62.557  7.1062 -11.66949      8.816639 
1 1 1 2  35 19 o 34.625  6.9931 16.001   3.3973  35.579  7.5327 33.672  11.784 1.906940       13.98620 
1 1 1 2  35 21 o 41.267  6.6061 21.941   3.5697  37.590  7.9266 44.944  10.570 -7.353878      13.21217 
1 1 1 2  35 23 o 20.632  6.4946 2.6202   3.5785  18.025  8.0325 23.238  10.208 -5.212410      12.98920 
1 1 1 2  35 25 o 33.689  6.1557 16.399   3.0588  39.003  6.3649 28.376  10.538 10.62722       12.31135 
1 1 1 2  36 0  o 40.576  6.1180 17.666   4.7340  40.576  6.1180 ?       ?      0.000000       0.000000 
1 1 1 2  36 2  o 43.786  4.8009 21.102   2.8277  38.541  7.7622 49.031  5.6518 -10.48980      9.601826 
1 1 1 2  36 4  o 56.099  5.6740 35.663   3.9996  60.083  5.5731 52.115  9.8852 7.967892       11.34794 
1 1 1 2  36 6  o 25.528  6.8997 6.1822   3.3013  21.454  8.5086 29.602  10.864 -8.147423      13.79940 
1 1 1 2  36 8  o 43.375  6.4821 22.484   3.6306  47.193  6.2390 39.557  11.364 7.636059       12.96415 
1 1 1 2  36 10 o 50.637  4.9609 27.976   3.3666  50.528  5.5986 50.746  8.1913 -0.2174911     9.921754 
1 1 1 2  36 12 o 23.447  6.7116 4.7643   3.4753  23.939  9.2114 22.956  9.7638 0.9833145      13.42316 
1 1 1 2  36 14 o 37.058  7.0855 17.441   3.5733  30.798  8.7646 43.319  11.135 -12.52095      14.17091 
1 1 1 2  36 16 o 37.387  6.7997 18.751   3.4767  42.034  6.1806 32.741  12.114 9.292767       13.59938 
1 1 1 2  36 18 o 30.915  7.4691 13.559   3.6193  27.014  8.9673 34.816  11.947 -7.801378      14.93819 
1 1 1 2  36 20 o 16.151  5.3957 -5.0900  3.3876  17.064  7.7543 15.239  7.5049 1.824924       10.79132 
1 1 1 2  36 22 o 16.963  5.8266 -3.4126  3.5717  13.119  6.4057 20.807  9.7348 -7.688887      11.65327 
1 1 1 2  37 1  o 16.086  5.1641 -2.3410  2.6240  17.472  7.6468 14.701  6.9426 2.770531       10.32828 
1 1 1 2  37 3  o 20.866  6.0943 2.3291   3.0285  23.910  9.2091 17.822  7.9847 6.087948       12.18862 
1 1 1 2  37 5  o 23.660  6.7004 4.3233   3.6437  26.082  9.2876 21.239  9.6604 4.843678       13.40086 
1 1 1 2  37 7  o 29.924  7.4516 11.451   3.7348  25.533  9.2680 34.315  11.671 -8.781721      14.90324 
1 1 1 2  37 9  o 26.023  7.1287 5.7284   3.2399  15.496  7.0009 36.551  12.420 -21.05481      14.25747 
1 1 1 2  37 11 o 26.079  7.1291 8.4307   3.5697  24.733  8.9995 27.425  11.059 -2.691473      14.25829 
1 1 1 2  37 13 o 18.836  6.2107 -1.9127  3.8630  16.955  7.9118 20.716  9.5757 -3.761580      12.42140 
1 1 1 2  37 15 o 35.623  7.3684 18.107   3.7522  32.062  9.1124 39.185  11.582 -7.122944      14.73681 
1 1 1 2  37 17 o 30.717  7.2907 13.220   3.2947  27.305  8.2149 34.130  12.047 -6.824888      14.58148 
1 1 1 2  37 19 o 19.658  6.2439 2.6808   3.5040  16.946  7.7991 22.371  9.7529 -5.425306      12.48780 
1 1 1 2  38 0  o 39.457  5.9996 17.089   4.5031  39.457  5.9996 ?       ?      0.000000       0.000000 
1 1 1 2  38 2  o 62.781  3.9201 43.421   3.4232  59.222  6.1415 66.339  4.8734 -7.117451      7.840212 
1 1 1 2  38 4  o 55.681  4.6389 35.284   3.6080  61.015  5.9611 50.348  7.1094 10.66690       9.277799 
1 1 1 2  38 6  o 32.396  5.6886 12.463   3.7638  45.893  7.0447 18.899  8.9337 26.99373       11.37712 
1 1 1 2  38 8  f 20.492  6.2413 -0.9625  3.9581  24.509  9.4569 16.475  8.1475 8.034094       12.48254 
1 1 1 2  38 10 o 29.281  7.9529 12.424   4.2029  22.752  9.1871 35.809  12.984 -13.05698      15.90573 
1 1 1 2  38 12 o 25.651  7.1245 8.8791   3.7862  26.385  9.2984 24.917  10.797 1.467199       14.24891 
1 1 1 2  38 14 o 37.884  6.6922 22.677   3.8355  46.599  6.5662 29.170  11.663 17.42944       13.38435 
1 1 1 2  38 16 o 65.958  4.5668 51.903   4.0765  68.896  5.1953 63.020  7.5120 5.876492       9.133543 
1 1 1 2  39 1  o 62.323  3.7991 43.042   3.3475  61.236  5.3739 63.411  5.3716 -2.175362      7.598227 
1 1 1 2  39 3  o 63.454  3.6462 43.926   3.1299  64.164  5.9384 62.744  4.2326 1.419697       7.292447 
1 1 1 2  39 5  o 71.303  3.4068 55.176   3.4057  73.458  5.1085 69.148  4.5085 4.310020       6.813507 
1 1 1 2  39 7  o 38.819  5.8132 19.300   3.0106  44.125  8.6829 33.514  7.7316 10.61143       11.62633 
1 1 1 2  39 9  o 16.894  5.7060 -2.3857  3.5421  15.615  7.2765 18.172  8.7913 -2.556698      11.41198 
1 1 1 2  39 11 o 22.008  6.7928 5.3432   3.9688  22.101  9.0923 21.915  10.094 0.1862202      13.58558 
1 1 1 2  40 0  o 11.000  7.8425 -5.6578  6.9279  11.000  7.8425 ?       ?      0.000000       0.000000 
1 1 1 3  1  0  o 342.254 3.5938 1171.85  24.594  342.254 3.5938 ?       ?      0.000000       0.000000 
1 1 1 3  1  4  o 237.669 1.6606 565.703  5.5698  243.705 2.2505 231.632 2.4426 12.07301       3.321269 
1 1 1 3  1  6  o 96.459  0.9113 91.856   1.2083  92.060  1.1288 100.858 1.4310 -8.797821      1.822655 
1 1 1 3  1  8  o 640.977 3.8386 4114.65  33.893  644.111 4.6608 637.843 6.1005 6.267883       7.677185 
1 1 1 3  1  10 o 392.036 2.3948 1536.12  13.266  386.619 3.3300 397.454 3.4425 -10.83560      4.789558 
1 1 1 3  1  12 o 902.963 5.0770 8158.99  64.822  909.065 7.2271 896.860 7.1324 12.20490       10.15392 
1 1 1 3  1  14 o 126.498 1.0799 158.169  1.8991  133.343 1.6453 119.653 1.3992 13.68970       2.159797 
1 1 1 3  1  16 o 693.939 3.9560 4817.32  38.814  687.952 5.5471 699.926 5.6419 -11.97418      7.912043 
1 1 1 3  1  18 o 152.996 1.2399 233.116  2.6693  158.542 1.8207 147.449 1.6836 11.09315       2.479840 
1 1 1 3  1  20 o 184.711 1.3482 341.198  3.5217  184.367 1.9101 185.054 1.9030 -0.6876221     2.696336 
1 1 1 3  1  22 o 277.779 1.8152 771.657  7.1270  278.225 2.6145 277.333 2.5189 0.8923035      3.630481 
1 1 1 3  1  24 o 115.164 1.1897 132.829  1.9336  112.181 1.7498 118.147 1.6125 -5.965797      2.379482 
1 1 1 3  1  26 o 88.376  1.3030 78.466   1.6083  86.024  2.0134 90.729  1.6544 -4.705185      2.605909 
1 1 1 3  1  28 o 342.842 2.2453 1176.36  10.882  336.864 3.2220 348.819 3.1281 -11.95483      4.490666 
1 1 1 3  1  30 o 143.717 1.6784 205.829  3.3710  140.611 2.1761 146.823 2.5559 -6.212845      3.356754 
1 1 1 3  1  32 o 189.159 1.5795 357.762  4.1860  190.094 2.3993 188.223 2.0550 1.871796       3.159057 
1 1 1 3  1  34 o 171.671 1.6051 294.855  3.8950  170.379 2.2364 172.963 2.3031 -2.583603      3.210250 
1 1 1 3  1  36 o 153.089 1.5128 234.403  3.2310  153.623 2.3300 152.555 1.9300 1.068192       3.025539 
1 1 1 3  1  38 o 74.101  2.1706 56.452   2.1558  68.506  3.6237 79.697  2.3905 -11.19064      4.341209 
1 1 1 3  1  40 o 79.443  2.1096 63.713   2.2169  78.194  3.5440 80.691  2.2895 -2.497635      4.219173 
1 1 1 3  1  42 o 17.166  5.2011 0.2174   2.0874  19.469  8.2386 14.864  6.3507 4.605184       10.40219 
1 1 1 3  1  44 o 34.970  5.1484 12.860   2.3737  34.855  8.6443 35.086  5.5945 -0.2317734     10.29674 
1 1 1 3  1  46 o 48.175  4.8641 23.254   2.9626  52.321  8.2756 44.028  5.1139 8.293087       9.728200 
1 1 1 3  1  48 o 22.102  5.8563 4.2722   2.5648  20.350  8.8430 23.854  7.6804 -3.503931      11.71269 
1 1 1 3  1  50 o 21.666  6.0770 4.6465   2.5208  24.849  9.7427 18.483  7.2662 6.366159       12.15391 
1 1 1 3  1  52 o 15.179  5.2503 -3.5000  2.7784  18.683  8.8526 11.676  5.6473 7.007080       10.50055 
1 1 1 3  2  1  o 910.219 15.578 8305.60  283.581 910.219 15.578 ?       ?      ?              ?        
1 1 1 3  2  3  o 907.363 9.1801 8208.60  111.579 896.860 10.396 917.867 15.133 -21.00641      18.36015 
1 1 1 3  2  5  o 1009.72 9.5084 10129.70 119.993 1023.20 16.577 996.237 9.3184 26.96118       19.01673 
1 1 1 3  2  7  o 1076.23 7.8251 11602.17 117.132 1080.48 9.8315 1071.99 12.177 8.493408       15.65027 
1 1 1 3  2  9  o 59.080  0.7969 34.695   0.6526  57.566  1.0029 60.595  1.2386 -3.029095      1.593707 
1 1 1 3  2  11 o 454.496 2.7213 2065.12  17.484  461.480 3.8782 447.512 3.8186 13.96838       5.442614 
1 1 1 3  2  13 o 226.420 1.6642 512.474  5.2712  225.797 2.1477 227.042 2.5428 -1.244949      3.328452 
1 1 1 3  2  15 o 237.805 1.5865 561.530  5.2839  248.386 2.3708 227.223 2.1088 21.16371       3.172985 
1 1 1 3  2  17 o 143.648 1.1793 205.608  2.3872  135.109 1.6665 152.189 1.6691 -17.08011      2.358634 
1 1 1 3  2  19 f 853.650 4.8230 7290.91  58.214  855.494 6.8901 851.807 6.7505 3.687439       9.645904 
1 1 1 3  2  21 o 258.244 1.7070 666.007  6.2217  263.284 2.4778 253.204 2.3485 10.08034       3.413943 
1 1 1 3  2  23 o 190.924 1.3903 364.637  3.7526  188.021 1.9958 193.827 1.9361 -5.805771      2.780594 
1 1 1 3  2  25 o 149.654 1.2955 223.813  2.7396  152.257 1.8580 147.050 1.8060 5.206696       2.591056 
1 1 1 3  2  27 o 117.815 1.2700 139.072  2.0973  116.417 1.9340 119.213 1.6465 -2.795700      2.540004 
1 1 1 3  2  29 o 298.852 2.0580 894.021  8.6771  297.358 3.0288 300.346 2.7872 -2.988373      4.116031 
1 1 1 3  2  31 o 163.417 1.5486 266.980  3.5757  165.905 2.2271 160.929 2.1525 4.976196       3.097262 
1 1 1 3  2  33 o 60.877  2.0051 37.334   1.6791  59.400  3.2074 62.355  2.4072 -2.954979      4.010231 
1 1 1 3  2  35 o 197.060 1.9613 385.932  5.3602  203.354 3.0377 190.765 2.4816 12.58904       3.922523 
1 1 1 3  2  37 o 46.734  2.8815 21.368   1.8194  50.151  4.6047 43.317  3.4653 6.834133       5.762912 
1 1 1 3  2  39 o 47.314  3.3566 23.221   2.0596  43.968  5.7774 50.660  3.4188 -6.691677      6.713175 
1 1 1 3  2  41 o 83.094  2.2011 68.515   2.4754  85.975  3.5590 80.213  2.5911 5.762314       4.402250 
1 1 1 3  2  43 o 93.810  2.4477 86.802   2.7316  96.588  4.3633 91.032  2.2197 5.555840       4.895483 
1 1 1 3  2  45 o 59.802  3.3677 36.301   2.7535  61.128  5.3834 58.476  4.0479 2.651985       6.735435 
1 1 1 3  2  47 o 53.685  3.8056 28.933   2.6125  57.222  6.4570 50.147  4.0294 7.075378       7.611139 
1 1 1 3  2  49 o 21.975  5.3559 4.3064   2.3956  17.666  8.1684 26.283  6.9297 -8.616507      10.71181 
1 1 1 3  2  51 o 22.369  5.7529 3.8154   2.6998  19.071  9.3659 25.666  6.6832 -6.594437      11.50587 
1 1 1 3  3  0  o 645.787 5.4005 4171.85  69.741  645.787 5.4005 ?       ?      0.000000       0.000000 
1 1 1 3  3  2  o 1084.10 12.376 11768.50 268.340 1084.10 12.376 ?       ?      ?              ?        
1 1 1 3  3  4  o 290.516 2.3545 847.202  9.2119  293.541 2.6748 287.492 3.8757 6.049530       4.709095 
1 1 1 3  3  6  f 292.136 2.0837 851.031  8.4542  295.909 3.2387 288.364 2.6227 7.544952       4.167458 
1 1 1 3  3  8  o 792.539 5.7175 6240.25  60.258  778.888 6.3819 806.190 9.4885 -27.30133      11.43502 
1 1 1 3  3  10 o 388.588 2.9059 1498.67  14.228  383.187 2.8927 393.988 5.0407 -10.80139      5.811792 
1 1 1 3  3  12 o 440.590 2.6453 1941.63  16.482  438.815 3.7364 442.365 3.7456 -3.549866      5.290579 
1 1 1 3  3  14 o 121.192 1.0098 146.348  1.7243  125.860 1.4678 116.524 1.3873 9.335968       2.019670 
1 1 1 3  3  16 o 392.109 2.3941 1536.07  13.262  382.343 3.3521 401.876 3.4190 -19.53302      4.788160 
1 1 1 3  3  18 o 987.117 5.5314 9750.21  77.214  980.068 7.8287 994.166 7.8164 -14.09833      11.06271 
1 1 1 3  3  20 o 454.626 2.7343 2066.93  17.574  457.107 3.9153 452.145 3.8178 4.961853       5.468536 
1 1 1 3  3  22 o 141.737 1.2128 201.255  2.4248  135.831 1.7851 147.643 1.6423 -11.81229      2.425668 
1 1 1 3  3  24 o 277.348 1.8340 768.931  7.1681  278.958 2.7111 275.737 2.4706 3.220612       3.668000 
1 1 1 3  3  26 o 218.081 1.5540 475.480  4.7855  219.562 2.2613 216.600 2.1323 2.961700       3.108097 
1 1 1 3  3  28 o 219.145 1.8177 480.225  5.5280  219.583 2.8395 218.708 2.2701 0.8752899      3.635436 
1 1 1 3  3  30 o 79.344  1.5741 63.829   1.7146  75.121  2.5361 83.568  1.8653 -8.446785      3.148216 
1 1 1 3  3  32 o 265.980 1.9369 708.667  7.2628  263.767 2.8673 268.194 2.6047 -4.427063      3.873721 
1 1 1 3  3  34 o 156.128 1.4817 243.868  3.2412  156.323 2.2528 155.933 1.9252 0.3906555      2.963394 
1 1 1 3  3  36 o 70.975  2.2880 52.181   2.0537  66.310  4.0050 75.641  2.2134 -9.331467      4.575917 
1 1 1 3  3  38 o 38.370  4.2493 15.681   1.9180  35.621  7.6747 41.119  3.6505 -5.498539      8.498676 
1 1 1 3  3  40 o 127.747 1.7180 163.984  3.0755  125.513 2.6218 129.980 2.2208 -4.466782      3.435985 
1 1 1 3  3  42 f 13.736  4.6098 -4.0638  2.0244  16.843  7.6807 10.630  5.0997 6.213135       9.219548 
1 1 1 3  3  44 o 31.389  5.1700 10.669   2.2169  28.499  8.8245 34.280  5.3893 -5.780586      10.34007 
1 1 1 3  3  46 o 16.550  5.0616 -1.2607  2.2892  15.416  7.3674 17.684  6.9427 -2.268317      10.12324 
1 1 1 3  3  48 o 29.771  5.8975 9.6605   2.3093  33.730  9.7310 25.812  6.6655 7.917656       11.79494 
1 1 1 3  3  50 o 18.355  5.7868 0.6859   2.6408  22.374  9.5707 14.337  6.5078 8.036892       11.57369 
1 1 1 3  3  52 o 24.319  6.7905 8.8201   3.3476  24.170  10.603 24.469  8.4867 -0.2991428     13.58103 
1 1 1 3  4  1  o 234.088 1.6300 547.019  5.3855  239.958 2.3578 228.219 2.2514 11.73845       3.260093 
1 1 1 3  4  3  o 460.249 2.8807 2108.33  18.633  442.969 3.8838 477.530 4.2556 -34.56094      5.761458 
1 1 1 3  4  5  o 272.918 2.0248 738.313  7.6228  263.750 2.5172 282.086 3.1723 -18.33560      4.049655 
1 1 1 3  4  7  o 786.233 5.2831 6184.42  58.742  787.188 7.4513 785.278 7.4915 1.910156       10.56622 
1 1 1 3  4  9  o 156.211 1.4509 243.757  3.1081  155.602 1.7438 156.820 2.3193 -1.217392      2.901741 
1 1 1 3  4  11 o 416.807 2.5858 1741.71  14.965  421.304 3.2203 412.310 4.0466 8.993805       5.171580 
1 1 1 3  4  13 o 678.530 3.8897 4607.49  37.323  677.876 5.5358 679.183 5.4657 -1.307190      7.779377 
1 1 1 3  4  15 o 223.230 1.5008 498.478  4.7333  216.131 2.1637 230.329 2.0804 -14.19792      3.001580 
1 1 1 3  4  17 o 123.035 1.2160 151.697  2.1068  130.589 1.6357 115.480 1.7998 15.10927       2.432026 
1 1 1 3  4  19 o 326.552 2.0564 1066.42  9.4962  327.656 2.9249 325.447 2.8915 2.209259       4.112885 
1 1 1 3  4  21 o 554.922 3.3079 3079.96  25.924  556.544 4.8132 553.300 4.5389 3.243286       6.615782 
1 1 1 3  4  23 o 60.291  1.3679 36.533   1.1431  58.950  2.1546 61.632  1.6861 -2.682243      2.735885 
1 1 1 3  4  25 o 89.378  1.3501 79.066   1.6635  92.864  2.1137 85.892  1.6804 6.972229       2.700290 
1 1 1 3  4  27 o 330.339 2.1571 1091.76  10.068  330.430 3.1275 330.247 2.9719 0.1838379      4.314279 
1 1 1 3  4  29 o 152.046 1.5484 231.713  3.2259  151.013 2.4850 153.079 1.8480 -2.065796      3.096780 
1 1 1 3  4  31 o 112.542 1.4088 126.959  2.1923  111.639 2.2237 113.446 1.7303 -1.807022      2.817537 
1 1 1 3  4  33 o 69.766  2.0508 50.008   1.8612  65.654  3.5173 73.878  2.1099 -8.223068      4.101651 
1 1 1 3  4  35 o 70.941  1.9479 50.239   1.8819  71.618  3.1439 70.265  2.3006 1.352417       3.895706 
1 1 1 3  4  37 o 77.893  1.9352 61.485   2.0206  75.423  3.2149 80.363  2.1552 -4.939774      3.870421 
1 1 1 3  4  39 o 168.326 1.8493 284.479  4.2898  166.981 2.9388 169.672 2.2457 -2.690750      3.698618 
1 1 1 3  4  41 o 60.268  2.7717 36.695   2.2169  59.796  4.6344 60.740  3.0416 -0.9438858     5.543327 
1 1 1 3  4  43 o 17.106  5.3275 -0.7175  2.2268  20.589  8.7267 13.623  6.1133 6.965727       10.65498 
1 1 1 3  4  45 f 26.094  5.6754 7.1588   2.3815  23.026  9.1814 29.163  6.6740 -6.137617      11.35083 
1 1 1 3  4  47 o 15.225  5.0579 -2.7219  2.2159  18.444  8.4374 12.006  5.5803 6.437593       10.11582 
1 1 1 3  4  49 o 19.131  5.7791 1.9936   2.5365  22.686  9.3327 15.576  6.8186 7.109085       11.55827 
1 1 1 3  4  51 o 24.160  6.7466 7.1149   2.9658  26.496  11.038 21.824  7.7612 4.671762       13.49311 
1 1 1 3  5  2  o 758.197 4.4228 5747.68  47.398  749.411 6.1707 766.982 6.3379 -17.57111      8.845675 
1 1 1 3  5  4  o 159.001 1.3382 253.214  3.0021  165.282 1.8163 152.719 1.9657 12.56306       2.676422 
1 1 1 3  5  6  o 160.856 1.2436 258.714  2.8277  161.502 1.7874 160.210 1.7297 1.291901       2.487273 
1 1 1 3  5  8  o 682.383 4.3074 4652.12  41.023  677.500 5.5133 687.265 6.6194 -9.765320      8.614733 
1 1 1 3  5  10 o 196.628 1.7742 383.463  4.6014  192.874 1.9456 200.382 2.9675 -7.507996      3.548483 
1 1 1 3  5  12 o 458.151 3.6393 2095.56  23.055  453.997 4.5016 462.306 5.7195 -8.309601      7.278516 
1 1 1 3  5  14 o 254.816 1.6419 648.866  5.9107  250.909 2.2779 258.723 2.3653 -7.814316      3.283843 
1 1 1 3  5  16 f 743.401 4.6117 5530.70  48.107  744.636 6.0319 742.165 6.9777 2.471619       9.223438 
1 1 1 3  5  18 o 649.184 3.7568 4212.01  34.450  659.728 5.4168 638.640 5.2070 21.08734       7.513622 
1 1 1 3  5  20 o 271.793 1.8179 738.581  6.9780  273.013 2.6433 270.572 2.4964 2.441010       3.635823 
1 1 1 3  5  22 f 548.643 3.2442 3011.44  25.168  549.950 4.6295 547.336 4.5461 2.613892       6.488423 
1 1 1 3  5  24 o 192.579 1.4527 370.839  3.9494  193.223 2.1214 191.936 1.9852 1.286850       2.905400 
1 1 1 3  5  26 o 176.809 1.4096 312.553  3.5132  177.526 2.0813 176.092 1.9015 1.433441       2.819174 
1 1 1 3  5  28 o 44.111  2.1448 19.801   1.2675  42.013  3.5728 46.209  2.3738 -4.196304      4.289527 
1 1 1 3  5  30 o 124.701 1.3287 155.762  2.3349  122.825 1.9742 126.578 1.7788 -3.752953      2.657335 
1 1 1 3  5  32 f 117.331 1.6524 137.645  2.7396  115.144 2.3064 119.518 2.3669 -4.374161      3.304814 
1 1 1 3  5  34 o 14.764  4.4277 0.2624   1.4695  16.580  7.0265 12.948  5.3894 3.631859       8.855319 
1 1 1 3  5  36 o 68.690  2.0878 46.440   1.9398  72.151  3.3607 65.228  2.4782 6.922279       4.175618 
1 1 1 3  5  38 o 36.604  3.7021 13.422   1.8614  37.350  5.8736 35.858  4.5080 1.492184       7.404197 
1 1 1 3  5  40 o 31.729  4.9878 10.453   2.2713  38.723  6.2617 24.735  7.7656 13.98830       9.975654 
1 1 1 3  5  42 o 48.643  3.3634 24.245   2.1790  47.217  5.6244 50.068  3.6898 -2.850739      6.726711 
1 1 1 3  5  44 f 14.731  4.8601 -4.1442  2.2954  18.063  8.0088 11.399  5.5082 6.663835       9.720177 
1 1 1 3  5  46 o 23.724  5.7964 3.6936   2.2695  33.627  9.8476 13.820  6.1171 19.80735       11.59281 
1 1 1 3  5  48 o 14.896  5.0347 -4.1494  2.4370  18.120  8.3763 11.672  5.5883 6.447267       10.06933 
1 1 1 3  5  50 o 14.759  4.9755 -3.3706  2.5058  17.143  8.0331 12.376  5.8728 4.767537       9.950927 
1 1 1 3  5  52 o 18.146  5.7157 0.8424   2.9760  17.803  8.5446 18.490  7.5940 -0.6871014     11.43149 
1 1 1 3  6  1  o 781.130 4.6168 6100.32  50.973  792.354 6.6013 769.906 6.4563 22.44861       9.233675 
1 1 1 3  6  3  o 425.772 2.6693 1809.49  16.041  413.713 3.6980 437.831 3.8503 -24.11777      5.338538 
1 1 1 3  6  5  o 1093.20 6.7631 11974.24 103.746 1084.34 10.249 1102.06 8.8270 -17.72571      13.52627 
1 1 1 3  6  7  o 676.638 4.3098 4578.69  40.804  675.120 5.5670 678.157 6.5806 -3.036926      8.619511 
1 1 1 3  6  9  o 229.669 1.9058 524.438  5.6451  226.948 1.9842 232.391 3.2544 -5.442230      3.811589 
1 1 1 3  6  11 o 277.585 2.3222 769.872  8.5906  276.829 2.5860 278.342 3.8579 -1.513580      4.644452 
1 1 1 3  6  13 o 626.673 4.5432 3919.50  38.048  622.008 5.1049 631.337 7.5167 -9.328796      9.086314 
1 1 1 3  6  15 o 440.828 2.7901 1942.13  16.794  439.664 3.3090 441.993 4.4933 -2.328552      5.580235 
1 1 1 3  6  17 o 253.444 1.7892 632.950  6.0482  244.131 2.0337 262.757 2.9442 -18.62541      3.578336 
1 1 1 3  6  19 o 455.737 2.7360 2075.16  17.616  444.782 3.8291 466.691 3.9091 -21.90897      5.472002 
1 1 1 3  6  21 o 211.906 1.4918 446.805  4.4428  220.310 2.2012 203.503 2.0142 16.80632       2.983699 
1 1 1 3  6  23 o 230.902 1.7279 533.661  5.6110  229.412 2.5920 232.392 2.2855 -2.980011      3.455759 
1 1 1 3  6  25 o 309.598 2.0640 958.989  9.0350  306.819 2.9542 312.377 2.8831 -5.557648      4.127900 
1 1 1 3  6  27 o 205.092 1.5546 420.741  4.4913  205.146 2.3077 205.039 2.0836 0.1063995      3.109121 
1 1 1 3  6  29 o 21.863  4.1761 4.9404   1.2824  20.873  6.8987 22.853  4.7083 -1.979820      8.352249 
1 1 1 3  6  31 o 147.895 1.5192 218.874  3.1711  147.794 2.2266 147.996 2.0675 -0.2017365     3.038446 
1 1 1 3  6  33 o 59.764  2.1543 35.576   1.7961  61.397  3.2911 58.131  2.7808 3.265896       4.308637 
1 1 1 3  6  35 o 123.933 1.5732 153.547  2.7055  124.596 2.4558 123.271 1.9670 1.324776       3.146433 
1 1 1 3  6  37 o 55.354  2.7495 30.715   1.8344  55.441  4.8943 55.267  2.5071 0.1740685      5.499036 
1 1 1 3  6  39 o 183.471 1.6711 336.191  4.2922  186.931 2.5325 180.011 2.1809 6.919891       3.342121 
1 1 1 3  6  41 o 111.772 1.8157 125.138  2.8225  112.761 2.8159 110.784 2.2930 1.976837       3.631413 
1 1 1 3  6  43 o 81.100  2.3005 66.188   2.5158  81.112  3.7723 81.088  2.6343 0.2365112E-01  4.601087 
1 1 1 3  6  45 o 34.658  5.2146 12.528   2.2892  37.558  8.6304 31.758  5.8552 5.800674       10.42912 
1 1 1 3  6  47 o 26.475  6.2400 7.1829   2.5354  32.387  10.029 20.564  7.4272 11.82267       12.48006 
1 1 1 3  6  49 o 22.167  5.6789 4.5198   2.1785  29.363  9.4018 14.971  6.3723 14.39179       11.35777 
1 1 1 3  6  51 o 16.671  5.4521 -0.6442  2.6783  18.270  8.6393 15.071  6.6532 3.198730       10.90426 
1 1 1 3  7  0  o 692.539 5.7363 4797.79  79.440  692.539 5.7363 ?       ?      0.000000       0.000000 
1 1 1 3  7  2  o 319.936 2.1492 1021.56  9.7031  329.084 3.1052 310.789 2.9722 18.29483       4.298355 
1 1 1 3  7  4  o 337.346 2.1843 1137.89  10.417  339.647 3.1276 335.045 3.0499 4.602264       4.368503 
1 1 1 3  7  6  o 451.675 2.7928 2040.51  17.839  453.087 3.9500 450.263 3.9491 2.824158       5.585547 
1 1 1 3  7  8  o 174.050 1.3013 302.448  3.1976  178.544 1.8754 169.556 1.8046 8.988205       2.602662 
1 1 1 3  7  10 o 850.361 5.7804 7245.06  64.514  851.457 6.2041 849.266 9.7550 2.191589       11.56073 
1 1 1 3  7  12 o 328.085 2.5573 1079.21  10.688  329.545 2.5753 326.625 4.4189 2.919861       5.114516 
1 1 1 3  7  14 o 1305.54 9.0395 17047.21 157.964 1298.44 10.186 1312.65 14.936 -14.21680      18.07902 
1 1 1 3  7  16 o 899.477 5.2079 8094.96  64.506  899.342 6.3295 899.612 8.2721 -0.2692261     10.41589 
1 1 1 3  7  18 f 690.091 4.0883 4730.54  38.472  674.591 4.8781 705.591 6.5621 -31.00049      8.176596 
1 1 1 3  7  20 o 197.702 1.5283 390.155  4.0808  196.639 1.7616 198.765 2.4979 -2.125793      3.056588 
1 1 1 3  7  22 o 414.951 3.0201 1721.99  17.717  422.022 4.2818 407.880 4.2604 14.14209       6.040300 
1 1 1 3  7  24 o 626.019 3.7202 3923.14  32.935  628.297 5.2743 623.741 5.2480 4.556580       7.440454 
1 1 1 3  7  26 o 133.092 1.4117 177.238  2.6557  130.533 2.0345 135.651 1.9577 -5.118561      2.823455 
1 1 1 3  7  28 f 238.125 1.9218 565.581  6.3283  241.126 3.0168 235.124 2.3817 6.001984       3.843655 
1 1 1 3  7  30 o 97.646  1.6015 96.022   2.0999  95.893  2.6490 99.399  1.8005 -3.506668      3.202996 
1 1 1 3  7  32 o 52.325  1.9905 27.617   1.4064  51.157  3.2727 53.492  2.2665 -2.335186      3.980905 
1 1 1 3  7  34 f 13.253  4.0804 -1.0777  1.4818  12.609  5.9174 13.897  5.6200 -1.287868      8.160881 
1 1 1 3  7  36 o 36.467  3.5467 12.687   1.7320  41.869  5.5156 31.064  4.4603 10.80422       7.093379 
1 1 1 3  7  38 o 34.449  4.3529 12.545   1.8254  32.381  7.7569 36.517  3.9524 -4.136692      8.705777 
1 1 1 3  7  40 o 19.887  5.3988 2.8148   2.0097  21.445  8.4451 18.329  6.7282 3.115545       10.79765 
1 1 1 3  7  42 o 39.178  4.4673 16.447   2.1748  36.300  7.8560 42.056  4.2555 -5.755657      8.934547 
1 1 1 3  7  44 o 18.837  5.5720 1.2294   2.3039  21.590  8.8575 16.085  6.7626 5.505056       11.14402 
1 1 1 3  7  46 o 18.054  5.4577 0.7085   2.2831  19.240  8.5702 16.868  6.7601 2.372017       10.91546 
1 1 1 3  7  48 o 19.426  5.5894 -1.3463  2.5058  28.319  9.9018 10.533  5.1882 17.78596       11.17873 
1 1 1 3  7  50 o 28.529  5.8385 10.777   2.5006  24.845  10.042 32.214  5.9592 -7.369045      11.67704 
1 1 1 3  8  1  o 551.975 3.3897 3041.43  26.407  535.629 4.6994 568.320 4.8862 -32.69092      6.779316 
1 1 1 3  8  3  o 526.826 3.2458 2771.83  24.145  512.783 4.5147 540.868 4.6645 -28.08514      6.491573 
1 1 1 3  8  5  o 442.310 2.7229 1956.54  17.024  440.661 3.7863 443.959 3.9142 -3.298279      5.445808 
1 1 1 3  8  7  o 873.073 4.9938 7629.40  61.657  874.174 7.0269 871.973 7.0976 2.201172       9.987630 
1 1 1 3  8  9  o 550.225 3.3702 3020.18  25.598  543.942 4.1500 556.507 5.3115 -12.56512      6.740491 
1 1 1 3  8  11 o 310.556 2.0114 965.132  8.7541  311.592 2.6125 309.519 3.0590 2.072693       4.022723 
1 1 1 3  8  13 o 518.468 3.6173 2668.03  24.309  510.076 3.8143 526.860 6.1473 -16.78439      7.234529 
1 1 1 3  8  15 o 507.287 3.7627 2518.32  22.290  491.767 3.3106 522.808 6.7582 -31.04163      7.525475 
1 1 1 3  8  17 o 475.439 2.9213 2245.08  18.818  465.689 3.4216 485.189 4.7358 -19.49969      5.842519 
1 1 1 3  8  19 o 552.066 3.3253 3057.12  25.463  558.755 4.1226 545.378 5.2188 13.37653       6.650665 
1 1 1 3  8  21 o 248.771 1.9601 616.442  6.8554  256.855 2.8995 240.687 2.6385 16.16795       3.920294 
1 1 1 3  8  23 o 298.408 2.0602 886.176  8.4177  293.239 2.4807 303.578 3.2900 -10.33917      4.120407 
1 1 1 3  8  25 o 196.937 1.5515 388.850  4.1942  198.614 1.8603 195.260 2.4836 3.354385       3.103096 
1 1 1 3  8  27 f 135.877 1.5175 184.758  2.8300  136.074 1.8244 135.680 2.4254 0.3945770      3.034925 
1 1 1 3  8  29 o 19.751  4.0855 3.7244   1.1869  15.714  5.2819 23.789  6.2344 -8.075682      8.171074 
1 1 1 3  8  31 o 137.042 1.5645 187.237  3.0087  133.658 2.0733 140.426 2.3434 -6.768188      3.128929 
1 1 1 3  8  33 o 91.841  1.7508 82.939   2.1317  95.688  2.8960 87.995  1.9683 7.692963       3.501580 
1 1 1 3  8  35 o 75.207  1.8730 56.126   1.9579  78.378  2.8727 72.037  2.4043 6.340981       3.746076 
1 1 1 3  8  37 o 37.045  3.5574 13.325   1.8012  42.133  5.3439 31.956  4.6972 10.17720       7.114800 
1 1 1 3  8  39 o 126.653 1.6595 161.172  2.9036  125.321 2.6258 127.985 2.0299 -2.663666      3.318966 
1 1 1 3  8  41 o 43.329  3.6492 18.403   2.1568  48.776  5.5630 37.881  4.7245 10.89488       7.298455 
1 1 1 3  8  43 f 29.615  5.3727 9.3029   2.1193  30.115  8.9436 29.115  5.9560 1.000013       10.74532 
1 1 1 3  8  45 o 38.684  4.8142 16.355   2.2268  36.646  8.6381 40.721  4.2532 -4.074848      9.628451 
1 1 1 3  8  47 f 45.698  4.5213 24.014   2.4754  38.902  8.1297 52.493  3.9593 -13.59184      9.042527 
1 1 1 3  8  49 o 23.431  6.0126 6.2732   2.3990  23.940  9.7123 22.922  7.0905 1.017178       12.02510 
1 1 1 3  8  51 o 20.364  6.4745 3.3674   3.7983  23.301  10.124 17.427  8.0735 5.874393       12.94893 
1 1 1 3  9  0  o 441.545 3.9232 1950.31  34.639  441.545 3.9232 ?       ?      0.000000       0.000000 
1 1 1 3  9  2  f 466.972 2.8890 2180.27  19.071  460.744 4.0473 473.200 4.1237 -12.45645      5.778023 
1 1 1 3  9  4  o 307.671 2.0433 945.631  8.8724  312.501 2.9744 302.841 2.8023 9.659607       4.086558 
1 1 1 3  9  6  o 107.478 1.0639 115.487  1.6144  107.021 1.4565 107.934 1.5512 -0.9128113     2.127796 
1 1 1 3  9  8  o 71.795  1.1103 51.542   1.1250  68.297  1.6061 75.293  1.5335 -6.995705      2.220654 
1 1 1 3  9  10 o 428.532 2.6996 1834.91  15.910  426.760 3.2738 430.304 4.2933 -3.544556      5.399101 
1 1 1 3  9  12 o 257.567 1.7618 666.273  6.3636  265.839 2.2803 249.295 2.6864 16.54408       3.523658 
1 1 1 3  9  14 o 83.024  1.1089 68.940   1.2932  83.094  1.4590 82.955  1.6703 0.1393661      2.217801 
1 1 1 3  9  16 o 140.626 1.4911 203.714  2.4503  146.704 1.2593 134.548 2.7032 12.15651       2.982157 
1 1 1 3  9  18 o 565.525 3.4356 3157.89  26.122  545.815 3.9770 585.235 5.6032 -39.42017      6.871160 
1 1 1 3  9  20 o 140.647 1.5115 198.048  3.0010  138.020 2.2169 143.274 2.0550 -5.254684      3.022916 
1 1 1 3  9  22 o 204.770 1.6145 417.166  4.4562  201.761 1.8599 207.779 2.6396 -6.018509      3.229067 
1 1 1 3  9  24 o 264.032 1.8930 691.589  6.7948  257.390 2.2430 270.675 3.0500 -13.28525      3.786001 
1 1 1 3  9  26 o 120.126 1.6194 145.479  2.5038  122.034 1.6558 118.218 2.7836 3.815353       3.238852 
1 1 1 3  9  28 o 270.668 2.0106 731.997  7.4457  269.299 2.4011 272.037 3.2258 -2.738098      4.021282 
1 1 1 3  9  30 o 62.234  2.0046 39.229   1.6204  63.825  2.0805 60.643  3.4272 3.181133       4.009226 
1 1 1 3  9  32 o 165.076 1.6587 274.051  3.8129  169.301 2.0801 160.851 2.5842 8.450485       3.317384 
1 1 1 3  9  34 o 115.651 1.9816 132.568  2.8919  113.525 1.9833 117.776 3.4313 -4.251579      3.963254 
1 1 1 3  9  36 o 174.431 1.7434 305.760  4.2441  177.550 2.2111 171.312 2.6960 6.237671       3.486740 
1 1 1 3  9  38 f 111.464 1.7125 124.953  2.6768  114.532 2.2179 108.396 2.6098 6.135796       3.424911 
1 1 1 3  9  40 o 16.268  5.1213 -1.8376  2.3163  13.434  6.2422 19.102  8.1207 -5.667132      10.24256 
1 1 1 3  9  42 o 37.027  5.1169 15.184   2.3916  41.740  4.7026 32.315  9.0894 9.425762       10.23389 
1 1 1 3  9  44 o 34.701  5.0475 12.986   2.3677  33.384  6.6341 36.017  7.6089 -2.632229      10.09495 
1 1 1 3  9  46 o 16.730  5.3154 -1.9629  2.6356  14.128  6.6398 19.333  8.3021 -5.205308      10.63071 
1 1 1 3  9  48 o 24.074  5.8650 6.7981   2.5662  27.784  8.3026 20.365  8.2862 7.418880       11.73007 
1 1 1 3  9  50 o 17.219  5.3428 1.0875   2.4489  16.073  7.0699 18.364  8.0125 -2.291306      10.68567 
1 1 1 3  10 1  o 550.334 3.3559 3026.09  26.075  561.176 4.8558 539.493 4.6336 21.68304       6.711889 
1 1 1 3  10 3  o 89.646  1.0268 80.404   1.2983  84.880  1.4964 94.411  1.4064 -9.531090      2.053576 
1 1 1 3  10 5  o 260.431 1.7713 678.327  6.5232  259.833 2.4885 261.030 2.5214 -1.196350      3.542595 
1 1 1 3  10 7  o 434.845 2.7134 1891.24  16.675  432.871 3.7611 436.820 3.9121 -3.948425      5.426778 
1 1 1 3  10 9  o 63.042  1.2958 39.552   1.1431  61.257  1.6964 64.827  1.9592 -3.570683      2.591609 
1 1 1 3  10 11 o 549.431 3.3727 3026.47  25.731  555.175 4.2012 543.688 5.2775 11.48676       6.745479 
1 1 1 3  10 13 o 363.103 2.3160 1314.31  11.645  358.195 2.8850 368.011 3.6239 -9.815186      4.632037 
1 1 1 3  10 15 o 261.096 1.8653 673.687  6.5066  253.230 2.1203 268.963 3.0695 -15.73341      3.730558 
1 1 1 3  10 17 o 144.499 1.6878 208.690  2.9626  144.363 1.5597 144.635 2.9937 -0.2720184     3.375612 
1 1 1 3  10 19 o 217.254 1.9555 465.812  5.2321  212.496 1.8746 222.012 3.4325 -9.516739      3.911086 
1 1 1 3  10 21 o 263.048 1.8381 688.371  6.5159  259.120 2.1166 266.975 3.0058 -7.855255      3.676273 
1 1 1 3  10 23 o 198.994 1.6486 398.824  4.5590  205.946 2.0464 192.042 2.5854 13.90453       3.297246 
1 1 1 3  10 25 o 156.534 1.5615 246.175  3.2468  158.239 1.7148 154.828 2.6102 3.411026       3.123029 
1 1 1 3  10 27 o 135.023 1.4526 182.203  2.6739  134.624 1.7154 135.421 2.3447 -0.7977448     2.905218 
1 1 1 3  10 29 o 231.321 1.9808 535.263  6.3428  230.675 2.4527 231.967 3.1110 -1.291901      3.961584 
1 1 1 3  10 31 o 146.145 1.9219 212.408  3.7823  143.510 2.2126 148.781 3.1431 -5.271469      3.843761 
1 1 1 3  10 33 o 69.233  1.9242 48.658   1.8312  73.160  2.2884 65.305  3.0941 7.855438       3.848473 
1 1 1 3  10 35 o 84.902  1.9332 72.212   2.1982  84.898  2.1761 84.905  3.1958 -0.7423401E-02 3.866330 
1 1 1 3  10 37 o 85.636  1.8389 73.310   2.2043  84.471  2.3921 86.801  2.7935 -2.329155      3.677717 
1 1 1 3  10 39 o 125.026 1.7478 155.955  3.0560  121.324 2.2841 128.729 2.6460 -7.405098      3.495508 
1 1 1 3  10 41 o 20.147  5.5186 2.7887   2.2187  20.050  7.3097 20.245  8.2698 -0.1953812     11.03726 
1 1 1 3  10 43 o 17.942  5.3825 0.4872   2.3318  15.831  6.9227 20.054  8.2437 -4.222975      10.76493 
1 1 1 3  10 45 o 20.051  5.5303 2.8581   2.3207  21.428  7.7471 18.674  7.8943 2.753492       11.06058 
1 1 1 3  10 47 o 32.113  5.8038 12.180   2.6243  29.478  7.8768 34.748  8.5259 -5.270254      11.60759 
1 1 1 3  10 49 o 41.340  5.6938 22.295   3.1490  50.040  5.7686 32.640  9.8184 17.40027       11.38763 
1 1 1 3  11 0  o 105.460 1.6980 111.308  3.5794  105.460 1.6980 ?       ?      0.000000       0.000000 
1 1 1 3  11 2  o 303.901 2.0804 919.621  8.9034  289.459 2.8721 318.344 3.0104 -28.88489      4.160716 
1 1 1 3  11 4  o 153.234 1.2638 233.168  2.7177  161.031 1.8643 145.436 1.7069 15.59554       2.527680 
1 1 1 3  11 6  o 257.503 1.7437 662.701  6.3458  252.101 2.4503 262.906 2.4814 -10.80461      3.487345 
1 1 1 3  11 8  o 300.215 1.9921 901.265  8.4553  298.581 2.7843 301.849 2.8498 -3.267883      3.984196 
1 1 1 3  11 10 o 547.652 3.4116 3003.99  25.593  550.151 4.0716 545.154 5.4751 4.996704       6.823102 
1 1 1 3  11 12 o 52.033  1.5760 27.059   1.1431  51.867  2.0035 52.199  2.4332 -0.3322792     3.151919 
1 1 1 3  11 14 f 260.573 1.8985 678.949  6.7888  260.443 2.2832 260.702 3.0339 -0.2588806     3.797006 
1 1 1 3  11 16 o 544.755 3.3093 2968.21  24.775  544.490 3.9973 545.020 5.2752 -0.5297241     6.618605 
1 1 1 3  11 18 o 630.449 3.7256 3990.87  32.785  642.565 4.7259 618.333 5.7608 24.23187       7.451250 
1 1 1 3  11 20 o 270.647 2.3781 727.065  7.8867  267.233 2.2468 274.060 4.1920 -6.827148      4.756181 
1 1 1 3  11 22 o 183.142 1.5622 335.812  3.7775  183.575 1.6982 182.709 2.6226 0.8667755      3.124456 
1 1 1 3  11 24 o 218.524 1.8044 467.351  5.0738  209.141 1.9047 227.907 3.0651 -18.76559      3.608717 
1 1 1 3  11 26 o 79.277  1.4669 61.976   1.5155  76.880  1.5770 81.674  2.4740 -4.793060      2.933882 
1 1 1 3  11 28 o 18.088  4.6857 2.5318   1.3562  15.960  5.2819 20.216  7.7412 -4.255269      9.371471 
1 1 1 3  11 30 o 149.525 1.5664 226.772  3.1670  155.755 1.7792 143.294 2.5785 12.46115       3.132766 
1 1 1 3  11 32 o 149.412 1.6443 224.217  3.3805  151.380 1.9831 147.444 2.6234 3.936234       3.288632 
1 1 1 3  11 34 o 28.600  4.5065 8.3041   1.7227  25.051  5.8599 32.149  6.8479 -7.098576      9.012914 
1 1 1 3  11 36 o 50.600  2.9931 26.018   1.9998  52.015  3.2187 49.185  5.0473 2.830830       5.986264 
1 1 1 3  11 38 o 89.032  1.9316 79.999   2.3538  90.949  2.2852 87.115  3.1148 3.834518       3.863137 
1 1 1 3  11 40 o 49.248  3.0687 24.313   2.0971  47.219  3.9125 51.278  4.7287 -4.059174      6.137404 
1 1 1 3  11 42 o 62.616  3.0505 39.828   2.5754  63.000  3.4823 62.232  5.0096 0.7676964      6.100988 
1 1 1 3  11 44 o 19.282  5.4133 2.0142   2.3207  21.442  7.7476 17.122  7.5624 4.319754       10.82661 
1 1 1 3  11 46 o 38.124  4.8575 16.005   2.4930  37.951  5.7806 38.297  7.8080 -0.3456650     9.714962 
1 1 1 3  11 48 o 31.495  6.2073 12.687   2.8127  31.253  7.7797 31.738  9.6747 -0.4854717     12.41468 
1 1 1 3  11 50 o 24.125  9.2310 8.7753   6.2351  ?       ?      24.125  9.2310 ?              ?        
1 1 1 3  12 1  o 233.478 1.7217 544.291  5.6748  227.755 2.3828 239.201 2.4860 -11.44606      3.443474 
1 1 1 3  12 3  o 507.746 3.1759 2578.86  22.801  506.106 4.4488 509.387 4.5335 -3.281158      6.351703 
1 1 1 3  12 5  o 568.952 3.4192 3238.30  27.506  569.213 4.7771 568.691 4.8932 0.5223999      6.838404 
1 1 1 3  12 7  o 264.923 1.8263 701.966  6.8402  264.073 2.6235 265.773 2.5415 -1.700348      3.652659 
1 1 1 3  12 9  o 449.055 2.9950 2014.61  18.812  446.112 3.8694 451.998 4.5726 -5.885162      5.990100 
1 1 1 3  12 11 o 304.866 2.0817 927.068  8.6748  302.201 2.4835 307.532 3.3416 -5.330414      4.163391 
1 1 1 3  12 13 o 502.818 3.0975 2531.00  21.624  504.710 3.8663 500.927 4.8405 3.782928       6.195079 
1 1 1 3  12 15 o 692.456 4.1288 4802.78  39.764  695.949 5.1847 688.963 6.4271 6.985657       8.257668 
1 1 1 3  12 17 o 464.298 2.8933 2157.00  18.560  464.675 3.5533 463.921 4.5671 0.7541809      5.786590 
1 1 1 3  12 19 o 244.157 1.7056 596.648  5.8085  245.013 2.1678 243.301 2.6339 1.711838       3.411256 
1 1 1 3  12 21 o 351.516 3.7334 1213.92  12.950  344.746 2.5287 358.286 7.0255 -13.53946      7.466702 
1 1 1 3  12 23 o 151.270 1.8280 226.184  3.0748  149.000 1.4724 153.539 3.3465 -4.538559      3.656080 
1 1 1 3  12 25 o 120.077 1.4789 143.403  2.3966  118.137 1.7104 122.017 2.4131 -3.879478      2.957763 
1 1 1 3  12 27 f 134.858 1.8425 179.203  2.9095  131.936 1.6190 137.780 3.3102 -5.843796      3.684961 
1 1 1 3  12 29 o 122.952 1.5375 153.228  2.5158  127.073 1.6810 118.830 2.5749 8.242638       3.075074 
1 1 1 3  12 31 o 12.560  4.1499 -3.2569  1.5130  8.1950  4.0367 16.926  7.2519 -8.730659      8.299724 
1 1 1 3  12 33 o 66.216  2.0369 43.116   1.7480  63.718  2.1745 68.713  3.4448 -4.994473      4.073724 
1 1 1 3  12 35 o 50.210  2.8030 24.437   1.8709  45.897  3.2705 54.524  4.5531 -8.626694      5.605906 
1 1 1 3  12 37 o 41.537  3.6265 17.601   1.9320  42.465  3.6707 40.608  6.2555 1.857143       7.252911 
1 1 1 3  12 39 o 89.800  2.0969 81.056   2.5554  89.874  2.4410 89.725  3.4102 0.1486816      4.193791 
1 1 1 3  12 41 o 36.941  3.9825 13.811   2.0383  35.490  5.0428 38.392  6.1654 -2.901539      7.965081 
1 1 1 3  12 43 o 21.766  5.5738 4.2503   2.2187  22.630  7.3591 20.902  8.3734 1.727514       11.14763 
1 1 1 3  12 45 o 18.733  5.5361 1.5574   2.4489  18.868  7.5889 18.598  8.0624 0.2705841      11.07224 
1 1 1 3  12 47 o 25.505  5.9917 8.0195   2.5192  22.937  8.0785 28.074  8.8511 -5.137899      11.98345 
1 1 1 3  12 49 o 32.382  10.030 15.472   7.1588  ?       ?      32.382  10.030 ?              ?        
1 1 1 3  13 0  o 324.945 3.1987 1056.27  20.784  324.945 3.1987 ?       ?      0.000000       0.000000 
1 1 1 3  13 2  o 592.867 3.6902 3513.66  30.920  604.308 5.2640 581.426 5.1732 22.88196       7.380486 
1 1 1 3  13 4  f 240.213 1.7509 576.778  5.9375  238.531 2.3961 241.894 2.5537 -3.363373      3.501856 
1 1 1 3  13 6  o 341.328 2.2963 1164.76  11.077  338.471 3.1896 344.186 3.3044 -5.714844      4.592681 
1 1 1 3  13 8  o 334.846 2.1155 1121.26  10.012  334.269 2.9361 335.422 3.0465 -1.153748      4.231057 
1 1 1 3  13 10 o 288.806 1.9298 834.336  7.7067  289.040 2.3769 288.573 3.0409 0.4665222      3.859641 
1 1 1 3  13 12 o 120.249 1.3405 142.355  2.2187  113.361 1.6806 127.138 2.0888 -13.77695      2.680983 
1 1 1 3  13 14 o 414.453 2.6619 1712.44  15.110  409.769 3.1982 419.138 4.2562 -9.368774      5.323874 
1 1 1 3  13 16 o 101.187 1.3916 102.069  1.9813  98.421  1.8771 103.954 2.0549 -5.532959      2.783132 
1 1 1 3  13 18 o 136.290 1.4099 185.672  2.7024  135.656 1.8725 136.925 2.1082 -1.268219      2.819720 
1 1 1 3  13 20 o 114.607 1.3030 130.609  2.0752  111.612 1.6552 117.602 2.0127 -5.990417      2.605940 
1 1 1 3  13 22 o 400.738 3.0772 1610.84  15.124  402.163 2.8854 399.314 5.4362 2.848785       6.154483 
1 1 1 3  13 24 o 294.822 2.6312 874.051  10.015  297.624 2.7157 292.020 4.5076 5.604462       5.262411 
1 1 1 3  13 26 o 149.011 1.5256 222.738  2.9369  149.841 1.5797 148.182 2.6104 1.658905       3.051126 
1 1 1 3  13 28 o 141.184 1.7331 195.403  2.9891  136.575 1.6486 145.792 3.0491 -9.217209      3.466267 
1 1 1 3  13 30 o 195.517 1.6804 378.953  4.3920  190.781 1.9064 200.252 2.7677 -9.470169      3.360728 
1 1 1 3  13 32 o 55.988  2.1703 31.323   1.5767  55.703  2.2802 56.273  3.6934 -0.5704422     4.340511 
1 1 1 3  13 34 o 52.621  2.7375 28.688   1.7635  55.474  2.4977 49.769  4.8720 5.704632       5.474956 
1 1 1 3  13 36 o 111.180 2.2919 124.243  3.0148  111.538 2.0186 110.822 4.1155 0.7164536      4.583898 
1 1 1 3  13 38 o 20.413  5.2183 2.8041   1.8870  14.375  6.0722 26.451  8.4884 -12.07675      10.43669 
1 1 1 3  13 40 o 15.191  4.7605 -1.9507  2.0966  15.877  6.6039 14.504  6.8583 1.372336       9.520983 
1 1 1 3  13 42 o 47.683  3.6142 22.562   2.3555  41.537  4.7257 53.829  5.4698 -12.29242      7.228500 
1 1 1 3  13 44 o 19.711  5.4679 1.8826   2.3163  14.489  6.5473 24.932  8.7593 -10.44310      10.93586 
1 1 1 3  13 46 o 19.935  5.5234 2.4742   2.5554  23.186  7.8969 16.683  7.7246 6.502598       11.04677 
1 1 1 3  13 48 o 18.824  5.7765 1.5776   2.9083  21.461  8.8400 16.187  7.4382 5.273815       11.55300 
1 1 1 3  14 1  o 477.532 3.0177 2280.76  20.379  475.163 4.2646 479.901 4.2707 -4.738037      6.035376 
1 1 1 3  14 3  o 923.576 5.3348 8529.87  69.610  912.153 7.3925 935.000 7.6935 -22.84656      10.66959 
1 1 1 3  14 5  o 262.183 2.0341 690.028  7.5012  251.117 3.0577 273.248 2.6833 -22.13115      4.068104 
1 1 1 3  14 7  o 90.295  1.4086 81.807   1.7897  95.505  1.8739 85.084  2.1035 10.42185       2.817118 
1 1 1 3  14 9  o 828.536 5.1422 6856.85  59.488  820.272 6.6018 836.800 7.8858 -16.52808      10.28442 
1 1 1 3  14 11 f 261.911 1.8728 681.414  6.7337  255.722 2.2802 268.101 2.9717 -12.37898      3.745674 
1 1 1 3  14 13 f 294.983 2.0174 873.551  8.3517  303.714 2.6232 286.251 3.0656 17.46271       4.034736 
1 1 1 3  14 15 o 276.236 2.0266 762.930  7.7141  275.846 2.4696 276.626 3.2140 -0.7795410     4.053265 
1 1 1 3  14 17 o 202.624 1.6050 410.818  4.4878  202.957 1.9627 202.292 2.5400 0.6653748      3.209963 
1 1 1 3  14 19 o 531.575 3.3531 2820.93  24.361  526.932 3.9991 536.218 5.3833 -9.286316      6.706131 
1 1 1 3  14 21 o 296.795 2.1131 872.672  8.5972  286.870 2.5760 306.719 3.3504 -19.84921      4.226221 
1 1 1 3  14 23 o 318.741 2.7279 1002.14  10.204  312.122 2.4046 325.359 4.8974 -13.23721      5.455856 
1 1 1 3  14 25 o 156.556 2.0014 246.830  3.4615  157.833 1.5729 155.279 3.6808 2.554260       4.002775 
1 1 1 3  14 27 o 80.636  2.4788 65.062   1.8395  80.615  1.5039 80.657  4.7241 -0.4218292E-01 4.957699 
1 1 1 3  14 29 o 184.683 1.6059 342.439  4.0211  186.503 1.8573 182.863 2.6204 3.639069       3.211882 
1 1 1 3  14 31 o 116.196 1.5804 134.692  2.4090  115.351 1.7017 117.042 2.6636 -1.691254      3.160782 
1 1 1 3  14 33 o 45.943  3.0180 20.172   1.7061  42.251  3.0061 49.634  5.2342 -7.383038      6.035983 
1 1 1 3  14 35 o 83.581  1.9643 69.926   2.1035  83.389  2.0078 83.774  3.3768 -0.3853455     3.928595 
1 1 1 3  14 37 o 18.577  4.9405 2.3513   1.7635  19.320  6.2758 17.834  7.6321 1.485567       9.881009 
1 1 1 3  14 39 o 60.982  2.6318 37.745   2.0708  61.861  2.7064 60.104  4.5146 1.757298       5.263660 
1 1 1 3  14 41 o 50.657  3.0253 25.541   2.0784  47.523  3.6445 53.791  4.8297 -6.267639      6.050509 
1 1 1 3  14 43 o 23.123  5.6512 5.0473   2.3358  25.304  7.0450 20.941  8.8381 4.362888       11.30238 
1 1 1 3  14 45 o 35.808  5.0871 14.621   2.4167  38.307  5.4255 33.309  8.6068 4.997803       10.17414 
1 1 1 3  14 47 o 24.662  6.1462 7.6421   2.7926  27.787  8.6457 21.537  8.7381 6.249807       12.29241 
1 1 1 3  14 49 o 19.938  6.4432 2.2444   3.7522  22.850  10.242 17.026  7.8206 5.823135       12.88649 
1 1 1 3  15 0  o 54.153  2.7875 29.559   3.0021  54.153  2.7875 ?       ?      0.000000       0.000000 
1 1 1 3  15 2  o 330.979 2.3191 1094.12  10.823  335.948 3.4026 326.010 3.1522 9.937469       4.638298 
1 1 1 3  15 4  o 467.609 2.8859 2186.93  19.071  468.304 4.1668 466.914 3.9938 1.390411       5.771739 
1 1 1 3  15 6  o 309.500 2.0238 954.411  8.8122  319.375 2.9826 299.626 2.7361 19.74866       4.047502 
1 1 1 3  15 8  o 522.206 3.1623 2727.92  23.353  525.810 4.4468 518.602 4.4974 7.207764       6.324615 
1 1 1 3  15 10 o 800.810 4.8127 6396.73  52.741  791.723 5.7680 809.896 7.7058 -18.17334      9.625381 
1 1 1 3  15 12 o 873.910 5.1511 7644.21  62.284  872.787 6.3633 875.033 8.1020 -2.245361      10.30217 
1 1 1 3  15 14 o 187.449 1.6602 353.405  4.3265  192.719 2.0670 182.180 2.5986 10.53818       3.320396 
1 1 1 3  15 16 o 256.329 2.1896 652.087  7.2084  252.344 2.2650 260.314 3.7481 -7.970383      4.379276 
1 1 1 3  15 18 o 422.393 2.8275 1792.20  16.490  428.879 3.4461 415.906 4.4836 12.97360       5.654909 
1 1 1 3  15 20 o 143.429 1.4793 204.853  2.8922  141.403 1.7556 145.456 2.3814 -4.053085      2.958619 
1 1 1 3  15 22 o 102.533 1.3821 105.640  1.9880  106.307 1.7921 98.759  2.1045 7.547638       2.764158 
1 1 1 3  15 24 o 231.997 2.1869 530.464  5.8652  227.144 1.8808 236.851 3.9487 -9.706345      4.373797 
1 1 1 3  15 26 o 18.090  4.9341 2.0574   1.2736  15.542  4.7564 20.639  8.6464 -5.097285      9.868275 
1 1 1 3  15 28 o 97.558  2.0274 93.960   2.0239  96.095  1.4419 99.021  3.7897 -2.925606      4.054730 
1 1 1 3  15 30 o 85.445  2.6595 73.833   2.1577  86.276  1.6729 84.613  5.0491 1.662743       5.318988 
1 1 1 3  15 32 o 166.626 2.0252 279.711  4.0905  168.115 1.8544 165.136 3.6009 2.979034       4.050374 
1 1 1 3  15 34 o 16.924  4.4509 2.0086   1.4074  17.437  5.5762 16.412  6.9388 1.024706       8.901753 
1 1 1 3  15 36 o 64.107  2.3854 38.617   1.8303  57.794  2.2975 70.420  4.1811 -12.62539      4.770793 
1 1 1 3  15 38 o 69.832  2.2436 49.927   1.9645  72.132  2.1610 67.533  3.9325 4.599388       4.487104 
1 1 1 3  15 40 o 25.101  5.7146 5.8887   1.9845  20.159  6.3913 30.043  9.4751 -9.883509      11.42913 
1 1 1 3  15 42 o 79.046  2.5416 63.159   2.7712  77.197  3.1410 80.896  3.9965 -3.699051      5.083116 
1 1 1 3  15 44 o 21.116  5.6534 3.2455   2.2119  14.791  6.3925 27.440  9.3262 -12.64917      11.30674 
1 1 1 3  15 46 o 27.744  6.0212 9.7221   2.8450  32.919  7.8217 22.568  9.1564 10.35111       12.04236 
1 1 1 3  15 48 o 36.429  8.0606 23.103   4.2889  35.550  13.675 37.307  8.5371 -1.757057      16.12128 
1 1 1 3  16 1  o 512.072 3.1138 2622.52  22.528  513.629 4.5073 510.514 4.2973 3.115021       6.227534 
1 1 1 3  16 3  o 884.393 5.1214 7827.41  64.047  886.870 7.2973 881.917 7.1878 4.952942       10.24281 
1 1 1 3  16 5  o 220.559 1.7028 486.280  5.3089  225.362 2.4081 215.756 2.4082 9.605453       3.405626 
1 1 1 3  16 7  o 628.037 3.7018 3946.18  32.874  626.055 5.1918 630.019 5.2782 -3.963440      7.403649 
1 1 1 3  16 9  o 316.334 2.3623 1003.68  10.357  320.175 2.9211 312.492 3.7134 7.682739       4.724660 
1 1 1 3  16 11 o 338.253 2.3818 1136.40  10.830  331.828 2.7315 344.678 3.9027 -12.85001      4.763616 
1 1 1 3  16 13 o 252.685 1.9169 636.860  6.7876  248.212 2.5120 257.157 2.8961 -8.944366      3.833719 
1 1 1 3  16 15 o 223.082 1.7610 499.549  5.4698  227.137 2.2113 219.027 2.7413 8.109924       3.522014 
1 1 1 3  16 17 o 187.998 1.7298 354.657  4.5141  190.752 2.1489 185.244 2.7114 5.507965       3.459674 
1 1 1 3  16 19 o 142.938 1.5116 204.472  2.9845  143.225 1.8542 142.650 2.3878 0.5756226      3.023190 
1 1 1 3  16 21 o 198.519 1.6810 389.744  4.5761  190.711 2.0585 206.327 2.6582 -15.61618      3.362063 
1 1 1 3  16 23 o 85.702  1.5141 73.692   1.7961  86.750  1.8634 84.653  2.3870 2.097099       3.028167 
1 1 1 3  16 25 o 223.887 2.1654 499.556  5.7860  222.433 1.9466 225.342 3.8686 -2.908951      4.330756 
1 1 1 3  16 27 o 41.627  4.3087 17.755   1.5120  42.151  2.3284 41.102  8.2970 1.049267       8.617473 
1 1 1 3  16 29 f 257.964 2.4019 663.355  7.3112  256.145 2.1187 259.783 4.3113 -3.638336      4.803768 
1 1 1 3  16 31 o 106.905 2.2486 115.537  2.4927  108.007 1.6036 105.803 4.2016 2.204567       4.497189 
1 1 1 3  16 33 o 97.087  2.5395 97.595   2.2587  100.195 1.4981 93.978  4.8531 6.216881       5.079067 
1 1 1 3  16 35 o 24.393  5.4369 5.4268   1.5987  22.765  4.7229 26.021  9.7945 -3.255148      10.87373 
1 1 1 3  16 37 o 89.335  2.4664 76.340   2.2293  84.592  1.7744 94.077  4.6025 -9.485390      4.932724 
1 1 1 3  16 39 o 44.220  6.5464 19.015   1.9427  42.183  2.7373 46.257  12.803 -4.074497      13.09281 
1 1 1 3  16 41 o 46.651  7.0351 25.405   4.6473  57.015  8.1006 36.287  11.504 20.72872       14.07011 
1 1 1 3  16 43 o 40.195  7.2366 20.154   4.3586  31.594  11.068 48.795  9.3254 -17.20041      14.47316 
1 1 1 3  16 45 o 22.343  6.9723 2.8589   4.3292  21.016  9.5071 23.670  10.201 -2.653505      13.94469 
1 1 1 3  16 47 o 21.712  6.8987 1.0615   4.3385  27.727  11.516 15.697  7.6000 12.03029       13.79737 
1 1 1 3  17 0  o 836.427 6.8826 7000.96  115.118 836.427 6.8826 ?       ?      0.000000       0.000000 
1 1 1 3  17 2  o 753.176 4.4011 5677.30  46.876  751.797 6.1895 754.555 6.2587 -2.757874      8.802291 
1 1 1 3  17 4  o 263.883 1.9640 694.569  7.3029  271.198 2.8739 256.568 2.6777 14.63049       3.928000 
1 1 1 3  17 6  o 490.020 2.9527 2399.44  20.436  500.138 4.2479 479.901 4.1022 20.23706       5.905354 
1 1 1 3  17 8  o 358.230 2.4015 1282.45  12.103  355.433 3.1998 361.028 3.5820 -5.595245      4.803092 
1 1 1 3  17 10 o 95.157  1.6885 91.182   2.2456  99.526  2.1463 90.787  2.6072 8.738396       3.376993 
1 1 1 3  17 12 o 465.219 3.5037 2142.46  20.600  455.932 3.5202 474.506 6.0591 -18.57394      7.007423 
1 1 1 3  17 14 o 287.928 2.2288 827.310  8.7360  285.693 2.6270 290.164 3.6013 -4.471344      4.457604 
1 1 1 3  17 16 o 125.852 1.4110 157.005  2.4712  120.511 1.8204 131.193 2.1563 -10.68176      2.821975 
1 1 1 3  17 18 o 295.371 2.1897 861.107  8.7518  283.827 2.5833 306.915 3.5364 -23.08804      4.379407 
1 1 1 3  17 20 o 33.026  3.5334 11.503   1.5294  27.035  5.9277 39.016  3.8472 -11.98128      7.066719 
1 1 1 3  17 22 o 385.332 2.7520 1488.05  14.880  386.770 3.5974 383.895 4.1657 2.875275       5.503985 
1 1 1 3  17 24 o 205.828 1.7157 424.998  4.9321  208.687 2.1855 202.969 2.6453 5.718323       3.431317 
1 1 1 3  17 26 o 93.823  2.1939 87.792   2.4632  93.279  1.9805 94.367  3.9154 -1.088188      4.387829 
1 1 1 3  17 28 o 83.176  2.4393 69.755   1.9694  83.767  1.5852 82.584  4.6139 1.183487       4.878598 
1 1 1 3  17 30 o 151.760 2.0515 228.225  3.4720  149.690 1.6584 153.831 3.7530 -4.140900      4.103065 
1 1 1 3  17 32 o 46.675  5.2491 26.531   1.7307  54.017  2.0307 39.332  10.300 14.68523       10.49818 
1 1 1 3  17 34 o 40.050  4.6254 15.348   1.5458  37.783  2.5976 42.316  8.8787 -4.532635      9.250830 
1 1 1 3  17 36 o 75.280  3.5447 57.678   3.4748  75.880  3.7281 74.679  6.0299 1.200645       7.089353 
1 1 1 3  17 38 o 25.312  6.3536 5.4726   3.0500  29.210  8.9988 21.413  8.9718 7.797445       12.70710 
1 1 1 3  17 40 o 57.461  5.0053 34.989   3.8999  59.289  5.7451 55.634  8.1980 3.654812       10.01065 
1 1 1 3  17 42 o 46.953  6.2536 25.846   3.8938  51.857  6.6798 42.050  10.574 9.807461       12.50730 
1 1 1 3  17 44 o 20.958  6.6281 0.1567   3.9415  16.210  7.7131 25.706  10.781 -9.496283      13.25629 
1 1 1 3  17 46 o 17.549  5.9374 -5.2119  4.1174  15.765  7.6384 19.333  9.0921 -3.568288      11.87485 
1 1 1 3  18 1  o 358.140 2.3386 1282.12  11.801  355.759 3.1482 360.520 3.4589 -4.761230      4.677127 
1 1 1 3  18 3  o 324.434 2.2082 1051.80  10.122  314.676 3.1189 334.192 3.1268 -19.51581      4.416400 
1 1 1 3  18 5  o 255.060 1.9371 650.567  6.9837  261.443 2.7161 248.678 2.7627 12.76424       3.874219 
1 1 1 3  18 7  o 206.957 1.8469 427.177  5.3534  203.321 2.4135 210.592 2.7963 -7.271713      3.693811 
1 1 1 3  18 9  o 110.139 1.7947 122.133  2.7699  117.059 2.3180 103.219 2.7406 13.83937       3.589465 
1 1 1 3  18 11 o 347.747 2.4355 1210.97  11.745  349.152 3.0259 346.342 3.8172 2.810059       4.871072 
1 1 1 3  18 13 o 16.909  4.3431 -0.1394  1.6563  10.120  4.8902 23.697  7.1788 -13.57708      8.686121 
1 1 1 3  18 15 o 203.789 1.7009 411.970  4.7539  197.936 2.0709 209.642 2.6988 -11.70612      3.401745 
1 1 1 3  18 17 o 266.780 2.0088 709.898  7.3986  263.522 2.4756 270.038 3.1641 -6.515442      4.017509 
1 1 1 3  18 19 o 294.545 2.2405 864.150  8.8716  290.761 2.5614 298.330 3.6768 -7.569336      4.481053 
1 1 1 3  18 21 o 41.867  3.3169 17.780   1.9302  44.905  4.1141 38.828  5.2040 6.077110       6.633812 
1 1 1 3  18 23 o 217.399 1.7655 474.830  5.2940  220.752 2.1445 214.046 2.8051 6.706390       3.530920 
1 1 1 3  18 25 o 57.853  2.0200 33.580   1.6449  54.013  2.9928 61.694  2.7138 -7.681446      4.040005 
1 1 1 3  18 27 o 119.624 2.3850 144.028  3.2947  120.428 2.0134 118.821 4.3243 1.607697       4.770082 
1 1 1 3  18 29 o 109.115 2.1883 117.800  2.5017  107.579 1.6100 110.652 4.0696 -3.072868      4.376508 
1 1 1 3  18 31 o 56.838  3.7744 32.755   1.8018  57.333  2.0139 56.343  7.2751 0.9896622      7.548705 
1 1 1 3  18 33 o 22.908  4.6540 4.3824   1.6532  27.731  3.7474 18.084  8.5203 9.647011       9.307964 
1 1 1 3  18 35 o 33.936  6.6007 8.5404   1.5080  26.234  3.3010 41.639  12.782 -15.40529      13.20131 
1 1 1 3  18 37 o 38.463  7.0729 14.890   3.7899  27.580  9.2378 49.347  10.713 -21.76706      14.14573 
1 1 1 3  18 39 o 53.665  4.2309 29.882   3.2039  51.316  6.1877 56.014  5.7718 -4.698212      8.461779 
1 1 1 3  18 41 o 32.244  7.1849 10.841   3.6350  22.252  8.7914 42.235  11.367 -19.98357      14.36982 
1 1 1 3  18 43 o 23.124  7.1271 3.5748   4.1751  21.333  9.1254 24.916  10.950 -3.583307      14.25414 
1 1 1 3  18 45 o 17.347  5.8681 -5.4364  4.0803  17.367  8.1310 17.326  8.4633 0.4051590E-01  11.73630 
1 1 1 3  19 0  o 281.172 2.8136 790.932  15.819  281.172 2.8136 ?       ?      0.000000       0.000000 
1 1 1 3  19 2  o 178.744 1.7525 315.252  4.2790  170.936 2.1278 186.553 2.7852 -15.61769      3.504977 
1 1 1 3  19 4  o 360.875 2.4493 1302.97  12.499  363.995 3.4418 357.756 3.4857 6.238373       4.898544 
1 1 1 3  19 6  o 78.278  1.9552 61.831   2.1361  70.940  3.0111 85.617  2.4950 -14.67679      3.910464 
1 1 1 3  19 8  o 243.657 1.9977 593.725  6.8391  243.153 2.6355 244.161 3.0029 -1.007782      3.995428 
1 1 1 3  19 10 o 110.984 1.4781 123.135  2.1982  110.832 1.6669 111.136 2.4415 -0.3035431     2.956273 
1 1 1 3  19 12 o 126.984 1.5879 164.091  2.7122  133.422 1.7741 120.546 2.6341 12.87617       3.175803 
1 1 1 3  19 14 o 196.174 1.7395 384.351  4.7076  194.904 2.1327 197.444 2.7485 -2.539490      3.478921 
1 1 1 3  19 16 o 66.096  2.0980 43.323   1.9357  62.913  2.7530 69.278  3.1667 -6.365368      4.196030 
1 1 1 3  19 18 o 261.510 2.0930 689.199  7.5814  269.819 2.5676 253.201 3.3061 16.61844       4.186069 
1 1 1 3  19 20 o 45.597  3.0110 20.863   1.9233  45.921  3.8973 45.272  4.5908 0.6493034      6.022044 
1 1 1 3  19 22 o 228.394 1.9542 523.706  6.2053  231.590 2.4430 225.198 3.0507 6.392029       3.908345 
1 1 1 3  19 24 o 102.862 1.6504 105.469  2.3677  100.767 2.1198 104.957 2.5302 -4.190918      3.300894 
1 1 1 3  19 26 o 90.680  1.7109 82.326   2.1938  89.916  2.4399 91.444  2.3991 -1.527969      3.421766 
1 1 1 3  19 28 o 76.420  3.1470 58.351   2.7670  75.910  2.6619 76.930  5.7034 -1.020119      6.294001 
1 1 1 3  19 30 o 49.954  5.1209 30.263   1.8772  57.930  2.0928 41.977  10.026 15.95306       10.24185 
1 1 1 3  19 32 o 49.181  6.4809 23.183   1.8780  47.030  2.3324 51.332  12.750 -4.301876      12.96189 
1 1 1 3  19 34 f 17.227  4.9853 0.4270   1.6434  16.747  5.4347 17.708  8.3593 -0.9618130     9.970634 
1 1 1 3  19 36 o 22.229  6.8060 0.2751   3.6507  20.176  8.4667 24.282  10.658 -4.105276      13.61201 
1 1 1 3  19 38 o 30.850  7.0778 9.3398   3.3723  22.935  8.5873 38.765  11.253 -15.83013      14.15560 
1 1 1 3  19 40 o 27.708  7.0711 8.0392   3.6371  29.705  9.5806 25.711  10.403 3.993759       14.14224 
1 1 1 3  19 42 o 26.607  7.4378 7.7224   4.0211  23.894  9.5667 29.321  11.391 -5.427513      14.87566 
1 1 1 3  19 44 o 19.165  6.4109 -3.2734  4.6070  18.456  8.7687 19.873  9.3545 -1.416855      12.82177 
1 1 1 3  19 46 o 27.152  8.7314 15.018   6.8370  23.352  10.665 30.952  13.828 -7.599968      17.46279 
1 1 1 3  20 1  o 546.255 3.5498 2985.27  27.302  543.087 4.7518 549.423 5.2749 -6.335815      7.099591 
1 1 1 3  20 3  o 216.429 1.7149 465.902  5.2130  225.520 2.5344 207.337 2.3111 18.18236       3.429900 
1 1 1 3  20 5  o 378.135 3.1260 1427.50  15.754  380.518 5.1888 375.753 3.4877 4.765228       6.252058 
1 1 1 3  20 7  o 561.570 3.8597 3158.18  30.399  561.719 5.8481 561.422 5.0388 0.2960815      7.719402 
1 1 1 3  20 9  o 179.915 1.7345 324.653  4.3603  182.647 2.2126 177.183 2.6718 5.464645       3.469062 
1 1 1 3  20 11 o 202.403 1.8534 411.007  5.2697  207.099 2.4253 197.706 2.8033 9.393173       3.706810 
1 1 1 3  20 13 o 216.102 1.8457 469.130  5.4777  219.309 2.2113 212.896 2.9558 6.413010       3.691422 
1 1 1 3  20 15 o 143.441 1.6658 207.248  3.3395  149.985 2.1171 136.897 2.5725 13.08751       3.331616 
1 1 1 3  20 17 o 79.326  1.9765 63.251   2.0784  80.176  2.1602 78.476  3.3105 1.699432       3.952964 
1 1 1 3  20 19 o 86.680  1.9113 74.624   2.2950  83.893  2.4086 89.466  2.9684 -5.572807      3.822614 
1 1 1 3  20 21 o 114.512 1.6819 132.195  2.6470  117.674 2.0115 111.350 2.6961 6.324699       3.363785 
1 1 1 3  20 23 o 20.976  5.2505 3.7752   1.9411  21.422  6.8930 20.531  7.9221 0.8916016      10.50106 
1 1 1 3  20 25 o 26.089  4.7833 7.0769   1.7823  23.840  6.7293 28.337  6.7998 -4.497435      9.566640 
1 1 1 3  20 27 o 48.274  2.9168 23.663   1.9561  51.217  3.6071 45.331  4.5848 5.885841       5.833645 
1 1 1 3  20 29 o 107.850 3.2755 117.796  3.5439  108.872 2.2272 106.827 6.1609 2.044754       6.551077 
1 1 1 3  20 31 o 70.814  3.5066 53.059   2.1254  74.158  1.8684 67.470  6.7598 6.687912       7.013277 
1 1 1 3  20 33 o 24.978  5.7738 1.6165   1.7551  9.3621  4.4192 40.594  10.668 -31.23193      11.54754 
1 1 1 3  20 35 o 24.461  4.9198 5.7501   1.6627  28.911  3.5944 20.011  9.1595 8.899721       9.839542 
1 1 1 3  20 37 o 28.388  7.4883 7.5019   3.6306  25.998  8.7824 30.778  12.131 -4.780169      14.97667 
1 1 1 3  20 39 o 23.351  6.7724 1.3735   3.9807  26.550  9.6896 20.152  9.4642 6.398245       13.54474 
1 1 1 3  20 41 o 24.735  7.0991 5.2002   3.7838  20.555  8.8052 28.914  11.138 -8.358448      14.19823 
1 1 1 3  20 43 o 31.959  7.4903 14.811   4.6540  39.756  10.459 24.161  10.725 15.59474       14.98065 
1 1 1 3  20 45 o 25.001  8.3099 11.161   7.3830  22.240  10.657 27.763  12.754 -5.523088      16.61984 
1 1 1 3  21 0  o 61.532  3.3995 38.219   4.1567  61.532  3.3995 ?       ?      0.000000       0.000000 
1 1 1 3  21 2  o 30.036  4.4734 9.3454   1.8402  33.245  6.1347 26.827  6.5123 6.418091       8.946789 
1 1 1 3  21 4  o 136.551 1.6831 186.775  3.2072  137.549 2.1406 135.553 2.5980 1.995056       3.366256 
1 1 1 3  21 6  o 322.363 2.3078 1039.96  10.482  322.642 3.0956 322.084 3.4236 0.5585327      4.615600 
1 1 1 3  21 8  o 440.891 3.6127 1936.85  20.785  435.930 3.8539 445.852 6.1118 -9.921936      7.225407 
1 1 1 3  21 10 o 37.880  4.7445 16.396   1.9371  43.894  3.2882 31.865  8.9012 12.02852       9.489079 
1 1 1 3  21 12 o 142.756 2.0116 207.779  3.7171  148.518 2.0602 136.994 3.4557 11.52367       4.023208 
1 1 1 3  21 14 f 100.958 1.7255 103.055  2.4028  105.481 2.0798 96.435  2.7539 9.045868       3.451019 
1 1 1 3  21 16 o 174.834 1.7480 306.231  4.2683  175.853 2.2324 173.815 2.6904 2.038483       3.495998 
1 1 1 3  21 18 o 130.838 1.8665 167.198  3.1557  124.448 1.9948 137.227 3.1553 -12.77841      3.732980 
1 1 1 3  21 20 o 159.789 1.9272 256.633  4.1403  161.589 2.1794 157.989 3.1792 3.600540       3.854446 
1 1 1 3  21 22 o 191.070 1.8051 365.046  4.6946  190.364 2.1229 191.775 2.9201 -1.411072      3.610225 
1 1 1 3  21 24 o 86.081  2.1148 74.884   2.5192  89.449  2.5817 82.712  3.3504 6.737526       4.229654 
1 1 1 3  21 26 o 43.507  3.9733 20.419   2.1878  52.193  3.9821 34.820  6.8768 17.37294       7.946559 
1 1 1 3  21 28 f 40.938  3.6875 16.817   2.1221  39.484  4.9714 42.392  5.4475 -2.908257      7.374943 
1 1 1 3  21 30 o 48.015  5.3576 24.128   2.9760  49.132  4.5827 46.898  9.6858 2.233246       10.71524 
1 1 1 3  21 32 o 79.832  3.6798 65.376   2.3675  81.041  1.8522 78.622  7.1227 2.418869       7.359584 
1 1 1 3  21 34 o 80.333  3.3682 67.677   2.3113  83.283  1.8023 77.383  6.4907 5.900566       6.736312 
1 1 1 3  21 36 o 36.060  5.9260 14.223   1.7005  37.839  2.7463 34.281  11.529 3.558044       11.85203 
1 1 1 3  21 38 o 25.735  7.0895 5.0190   3.9209  28.088  9.6673 23.382  10.372 4.706051       14.17900 
1 1 1 3  21 40 o 20.255  6.4898 -1.4512  3.9873  18.676  8.5847 21.834  9.7351 -3.158760      12.97959 
1 1 1 3  21 42 o 61.795  4.9226 43.722   4.2156  58.975  6.2652 64.615  7.5945 -5.640640      9.845260 
1 1 1 3  21 44 o 18.657  6.4608 -4.2566  5.0779  15.862  7.7683 21.452  10.326 -5.589988      12.92168 
1 1 1 3  22 1  o 372.742 2.4316 1389.41  12.796  377.058 3.5369 368.425 3.3377 8.632843       4.863122 
1 1 1 3  22 3  o 85.623  1.8854 73.414   2.2801  83.970  2.7501 87.275  2.5798 -3.304993      3.770772 
1 1 1 3  22 5  o 150.294 1.6471 226.259  3.4926  157.015 2.2429 143.572 2.4127 13.44353       3.294172 
1 1 1 3  22 7  o 182.089 1.6258 331.769  4.1854  183.643 2.2635 180.535 2.3344 3.108231       3.251599 
1 1 1 3  22 9  o 253.707 2.1835 644.865  7.8175  257.638 2.9579 249.776 3.2128 7.861313       4.367055 
1 1 1 3  22 11 o 410.555 2.8820 1694.26  16.363  416.793 3.5322 404.317 4.5550 12.47580       5.764031 
1 1 1 3  22 13 o 215.432 2.1996 466.227  6.0325  216.875 2.2095 213.990 3.8040 2.885376       4.399144 
1 1 1 3  22 15 o 212.379 1.8089 453.528  5.3855  219.931 2.3363 204.827 2.7622 15.10349       3.617728 
1 1 1 3  22 17 o 59.991  2.8059 36.259   2.2779  60.927  3.2217 59.054  4.5948 1.872772       5.611717 
1 1 1 3  22 19 o 244.449 2.1208 598.044  7.3279  249.483 3.0083 239.415 2.9901 10.06876       4.241546 
1 1 1 3  22 21 o 139.870 1.8433 196.129  3.5415  140.533 2.2184 139.207 2.9445 1.326431       3.686661 
1 1 1 3  22 23 o 132.473 1.8599 177.179  3.3941  136.681 2.2386 128.265 2.9707 8.416245       3.719734 
1 1 1 3  22 25 o 56.358  3.2829 33.403   2.3772  62.098  3.2539 50.618  5.7027 11.48009       6.565738 
1 1 1 3  22 27 o 57.455  2.8605 33.296   2.2963  58.633  3.6432 56.278  4.4112 2.355507       5.721092 
1 1 1 3  22 29 o 91.037  2.0212 83.241   2.5928  91.655  2.7085 90.419  3.0009 1.235229       4.042484 
1 1 1 3  22 31 o 58.729  3.9292 35.873   2.1577  60.391  2.3899 57.067  7.4862 3.324020       7.858457 
1 1 1 3  22 33 o 19.160  6.1827 -0.3051  1.9576  11.447  5.1263 26.873  11.253 -15.42602      12.36530 
1 1 1 3  22 35 o 20.689  5.7896 2.5447   1.7891  18.741  5.4984 22.637  10.191 -3.895723      11.57928 
1 1 1 3  22 37 o 38.871  5.8463 13.540   1.4773  34.332  2.5224 43.409  11.417 -9.077087      11.69259 
1 1 1 3  22 39 o 27.842  7.0318 8.9240   3.5970  30.493  9.8338 25.192  10.054 5.301132       14.06353 
1 1 1 3  22 41 o 24.240  7.3760 5.4714   4.4878  21.287  9.4271 27.193  11.347 -5.906107      14.75193 
1 1 1 3  22 43 o 26.826  7.9090 13.118   4.9956  27.483  10.458 26.170  11.867 1.313416       15.81805 
1 1 1 3  23 0  o 301.218 3.4318 908.129  20.668  301.218 3.4318 ?       ?      0.000000       0.000000 
1 1 1 3  23 2  o 201.767 2.0111 408.313  5.6091  203.686 2.4659 199.848 3.1777 3.837555       4.022237 
1 1 1 3  23 4  o 187.898 1.7722 353.386  4.7008  186.835 2.5956 188.962 2.4136 -2.126373      3.544408 
1 1 1 3  23 6  o 125.379 1.7247 156.847  3.0500  129.934 2.4882 120.824 2.3891 9.109268       3.449487 
1 1 1 3  23 8  o 160.812 1.7900 261.205  3.9773  167.428 2.1724 154.197 2.8455 13.23135       3.579935 
1 1 1 3  23 10 f 164.420 1.8599 271.238  4.1002  165.517 2.0928 163.323 3.0753 2.193909       3.719873 
1 1 1 3  23 12 o 202.312 2.4004 409.572  6.0778  202.104 2.3424 202.520 4.1905 -0.4159088     4.800747 
1 1 1 3  23 14 o 163.072 1.7895 264.741  4.0006  160.085 2.1638 166.058 2.8508 -5.972427      3.579015 
1 1 1 3  23 16 o 183.304 1.8475 332.917  4.5306  178.523 2.1020 188.085 3.0388 -9.562378      3.694955 
1 1 1 3  23 18 o 228.082 2.1266 520.733  6.7973  227.288 2.7687 228.876 3.2287 -1.588547      4.253228 
1 1 1 3  23 20 o 60.049  3.0693 36.055   2.4754  59.466  3.4951 60.632  5.0465 -1.166389      6.138628 
1 1 1 3  23 22 o 17.628  5.3286 -0.3126  2.3318  15.078  6.7331 20.178  8.2607 -5.100163      10.65711 
1 1 1 3  23 24 o 115.769 1.9812 133.978  3.1959  114.325 2.5249 117.213 3.0538 -2.887749      3.962409 
1 1 1 3  23 26 o 139.203 1.9598 194.910  3.7395  140.788 2.3374 137.618 3.1463 3.170410       3.919534 
1 1 1 3  23 28 o 75.426  2.4572 57.601   2.5967  80.143  3.1696 70.709  3.7558 9.434006       4.914490 
1 1 1 3  23 30 o 61.482  2.6911 38.108   2.3292  60.813  3.6075 62.151  3.9943 -1.337288      5.382218 
1 1 1 3  23 32 o 70.610  3.3449 46.474   2.2860  64.883  2.3135 76.337  6.2771 -11.45455      6.689850 
1 1 1 3  23 34 o 60.346  4.5056 34.294   2.2215  56.069  2.4712 64.623  8.6657 -8.554424      9.011132 
1 1 1 3  23 36 o 37.499  5.7126 14.983   1.9641  37.683  3.3705 37.314  10.917 0.3691711      11.42521 
1 1 1 3  23 38 o 26.439  7.4211 6.9294   4.1598  27.161  10.008 25.717  10.960 1.444218       14.84212 
1 1 1 3  23 40 o 26.294  7.2843 8.4012   4.0805  28.034  9.6655 24.555  10.900 3.479309       14.56856 
1 1 1 3  23 42 o 25.149  7.7047 9.3110   4.6965  20.137  9.0508 30.161  12.471 -10.02378      15.40933 
1 1 1 3  24 1  o 62.305  2.2353 38.589   1.9476  55.177  3.2436 69.433  3.0765 -14.25679      4.470514 
1 1 1 3  24 3  o 28.008  4.7090 8.0417   1.8545  33.161  6.4991 22.856  6.8160 10.30562       9.417914 
1 1 1 3  24 5  o 76.534  1.9864 58.924   2.1345  72.836  3.0120 80.232  2.5904 -7.396736      3.972734 
1 1 1 3  24 7  o 75.239  2.2301 57.807   2.2862  80.735  2.5743 69.744  3.6422 10.99107       4.460134 
1 1 1 3  24 9  o 167.525 1.7614 281.628  4.1495  171.735 2.3196 163.315 2.6513 8.419479       3.522737 
1 1 1 3  24 11 o 237.255 2.3701 561.376  6.9697  235.600 2.2789 238.911 4.1564 -3.310562      4.740112 
1 1 1 3  24 13 o 66.083  2.6145 43.606   2.1966  65.680  2.6370 66.486  4.5153 -0.8060379     5.228932 
1 1 1 3  24 15 o 75.586  2.4761 57.877   2.3815  77.225  2.4670 73.947  4.2940 3.277275       4.952227 
1 1 1 3  24 17 o 214.619 1.9510 460.643  5.8072  213.390 2.4349 215.848 3.0491 -2.457977      3.902064 
1 1 1 3  24 19 o 212.272 1.9682 453.477  5.8187  217.310 2.4707 207.234 3.0644 10.07515       3.936388 
1 1 1 3  24 21 o 98.664  2.4178 98.235   3.0756  99.908  2.4848 97.420  4.1483 2.488152       4.835546 
1 1 1 3  24 23 o 62.509  2.9002 39.258   2.3200  62.580  2.9521 62.438  4.9930 0.1414909      5.800444 
1 1 1 3  24 25 o 16.510  5.1063 -1.1853  2.2508  13.975  6.3922 19.045  7.9646 -5.070677      10.21251 
1 1 1 3  24 27 o 37.527  4.6331 15.059   2.2573  40.952  4.7932 34.103  7.9303 6.849293       9.266253 
1 1 1 3  24 29 o 152.096 1.7819 232.682  3.7788  153.482 2.2569 150.710 2.7581 2.771271       3.563799 
1 1 1 3  24 31 o 45.840  3.7051 21.493   2.3955  47.363  4.9976 44.317  5.4714 3.045765       7.410274 
1 1 1 3  24 33 o 78.603  2.9231 62.309   2.4647  78.254  2.2133 78.952  5.4111 -0.6986542     5.846248 
1 1 1 3  24 35 o 73.953  4.1044 58.139   2.5839  76.385  2.1918 71.521  7.9107 4.864540       8.208711 
1 1 1 3  24 37 o 31.738  6.2970 11.091   1.9042  32.689  3.5322 30.786  12.089 1.903004       12.59409 
1 1 1 3  24 39 o 21.962  6.9949 1.7768   4.4509  19.407  8.8908 24.517  10.801 -5.109467      13.98972 
1 1 1 3  24 41 o 23.845  6.7783 4.3917   4.5479  29.421  10.087 18.269  9.0578 11.15196       13.55669 
1 1 1 3  25 0  f 28.009  8.9221 9.9300   4.3877  28.009  8.9221 ?       ?      0.000000       0.000000 
1 1 1 3  25 2  o 154.049 1.7896 237.554  3.8950  153.409 2.5967 154.689 2.4632 -1.279816      3.579122 
1 1 1 3  25 4  o 242.629 2.0875 589.233  7.1472  241.844 2.8407 243.415 3.0596 -1.571259      4.175019 
1 1 1 3  25 6  o 223.778 2.3391 501.470  7.3609  223.413 3.1009 224.142 3.5029 -0.7288208     4.678287 
1 1 1 3  25 8  o 184.452 1.8059 340.484  4.6050  184.302 2.2241 184.602 2.8459 -0.2998962     3.611890 
1 1 1 3  25 10 o 34.893  5.4033 11.468   2.1926  30.899  5.0448 38.887  9.5569 -7.987686      10.80664 
1 1 1 3  25 12 o 218.728 1.9363 475.834  5.7844  214.061 2.3194 223.396 3.1012 -9.335083      3.872591 
1 1 1 3  25 14 o 244.966 2.0581 599.016  6.9109  242.195 2.4791 247.738 3.2858 -5.542084      4.116122 
1 1 1 3  25 16 o 183.292 1.9298 336.841  4.8130  183.890 2.2604 182.694 3.1285 1.196335       3.859643 
1 1 1 3  25 18 o 23.768  5.7260 4.8041   2.4261  26.370  7.2304 21.166  8.8809 5.204050       11.45203 
1 1 1 3  25 20 o 116.405 2.0169 136.263  3.2543  118.144 2.4922 114.666 3.1719 3.477905       4.033857 
1 1 1 3  25 22 o 53.820  3.2879 28.729   2.3737  51.750  3.7930 55.889  5.3715 -4.138565      6.575732 
1 1 1 3  25 24 o 108.809 2.1482 120.439  3.0895  112.415 2.3110 105.203 3.6219 7.212082       4.296395 
1 1 1 3  25 26 o 51.206  3.7386 26.120   2.6348  47.512  4.7390 54.900  5.7838 -7.388248      7.477269 
1 1 1 3  25 28 o 27.557  6.0289 7.9544   2.6011  28.777  7.9618 26.337  9.0553 2.440166       12.05772 
1 1 1 3  25 30 o 22.097  5.8464 3.5261   2.6113  24.979  8.3021 19.215  8.2340 5.763659       11.69290 
1 1 1 3  25 32 o 39.087  4.5158 16.204   2.4193  40.494  5.7028 37.680  7.0035 2.814411       9.031685 
1 1 1 3  25 34 o 24.923  6.8478 5.2177   2.4276  20.193  6.6565 29.653  11.969 -9.459892      13.69558 
1 1 1 3  25 36 o 24.537  6.5640 3.4545   2.1004  12.273  5.4382 36.801  11.949 -24.52754      13.12804 
1 1 1 3  25 38 o 17.139  5.7917 -1.2981  1.9304  9.0840  4.3904 25.194  10.719 -16.11040      11.58335 
1 1 1 3  25 40 o 19.452  6.3518 0.8943   4.0978  19.531  8.7758 19.373  9.1850 0.1586018      12.70350 
1 1 1 3  26 1  o 62.312  2.8575 39.000   2.5110  64.491  3.8493 60.133  4.2243 4.357998       5.715087 
1 1 1 3  26 3  o 121.272 1.6499 146.695  2.8100  124.192 2.4638 118.353 2.1951 5.839470       3.299788 
1 1 1 3  26 5  o 57.724  3.2565 33.424   2.6544  60.120  4.5133 55.328  4.6956 4.792656       6.512949 
1 1 1 3  26 7  o 171.984 1.8988 295.690  4.6070  168.889 2.5980 175.079 2.7699 -6.190201      3.797593 
1 1 1 3  26 9  o 189.576 2.1023 359.444  5.1631  189.081 2.1984 190.071 3.5841 -0.9896393     4.204639 
1 1 1 3  26 11 o 44.298  3.7535 19.456   2.1650  43.051  4.0231 45.545  6.3379 -2.494247      7.506945 
1 1 1 3  26 13 o 110.133 2.0004 119.664  2.9460  105.877 2.2902 114.390 3.2805 -8.513016      4.000846 
1 1 1 3  26 15 o 119.421 2.0249 140.333  3.2653  113.381 2.3932 125.461 3.2671 -12.08014      4.049888 
1 1 1 3  26 17 o 150.679 1.9964 227.111  4.1188  149.697 2.3911 151.662 3.1976 -1.965652      3.992728 
1 1 1 3  26 19 o 145.570 2.0298 211.190  3.9807  143.332 2.3362 147.808 3.3200 -4.475632      4.059578 
1 1 1 3  26 21 o 108.560 2.2521 119.180  3.2685  110.759 2.5020 106.361 3.7453 4.398476       4.504109 
1 1 1 3  26 23 o 111.204 2.2782 124.811  3.3437  112.430 2.4648 109.977 3.8321 2.453392       4.556349 
1 1 1 3  26 25 o 77.370  2.9346 60.520   3.1081  77.562  3.4984 77.177  4.7127 0.3858795      5.869286 
1 1 1 3  26 27 o 32.197  5.7361 11.219   2.5884  33.177  7.1640 31.216  8.9603 1.961164       11.47219 
1 1 1 3  26 29 o 33.861  5.8707 12.380   2.7331  31.211  7.6361 36.511  8.9190 -5.299833      11.74130 
1 1 1 3  26 31 o 34.112  5.1414 12.696   2.4028  29.021  7.5054 39.203  7.0289 -10.18272      10.28283 
1 1 1 3  26 33 o 20.591  5.6706 3.4180   2.3928  22.232  8.3068 18.950  7.7214 3.282089       11.34119 
1 1 1 3  26 35 o 18.489  6.0069 0.3229   2.3406  14.264  6.0510 22.714  10.379 -8.449794      12.01384 
1 1 1 3  26 37 o 20.528  6.0547 3.0094   2.3826  19.403  6.5321 21.653  10.197 -2.249989      12.10943 
1 1 1 3  26 39 o 17.425  5.9800 -0.4136  2.8125  12.737  5.9377 22.113  10.382 -9.375802      11.96001 
1 1 1 3  27 0  o 15.691  8.4114 3.5794   3.5794  15.691  8.4114 ?       ?      0.000000       0.000000 
1 1 1 3  27 2  o 56.980  2.9216 32.625   2.3349  51.667  4.3578 62.293  3.8925 -10.62563      5.843152 
1 1 1 3  27 4  o 46.703  3.6583 22.439   2.3093  50.436  4.1208 42.971  6.0459 7.465012       7.316648 
1 1 1 3  27 6  o 158.811 1.9933 254.130  4.1751  161.148 2.1495 156.475 3.3575 4.672897       3.986650 
1 1 1 3  27 8  o 91.044  2.6114 82.644   2.9351  90.229  2.4954 91.858  4.5880 -1.629791      5.222709 
1 1 1 3  27 10 o 131.600 2.2190 174.911  3.8377  133.945 2.3706 129.256 3.7519 4.689087       4.438037 
1 1 1 3  27 12 o 91.744  2.1794 82.370   2.7111  85.278  2.6402 98.210  3.4683 -12.93188      4.358878 
1 1 1 3  27 14 o 25.435  5.5919 4.3801   2.5754  15.365  6.8879 35.506  8.8110 -20.14072      11.18375 
1 1 1 3  27 16 o 81.935  2.5092 65.962   2.6452  78.593  2.6445 85.276  4.2651 -6.683220      5.018410 
1 1 1 3  27 18 o 116.912 2.0271 135.414  3.0922  113.929 2.1790 119.894 3.4188 -5.964996      4.054182 
1 1 1 3  27 20 o 50.053  3.8681 26.127   2.5884  54.683  4.2231 45.424  6.4819 9.258476       7.736247 
1 1 1 3  27 22 o 49.853  3.9967 25.684   2.6909  52.457  4.5123 47.249  6.5981 5.207726       7.993473 
1 1 1 3  27 24 o 86.005  2.5616 74.954   3.0668  88.181  3.2081 83.829  3.9944 4.351784       5.123175 
1 1 1 3  27 26 o 59.239  3.4810 35.309   2.7712  57.637  4.0066 60.841  5.6934 -3.204502      6.961913 
1 1 1 3  27 28 o 19.541  5.9558 0.1379   2.8922  16.514  7.3669 22.568  9.3602 -6.053808      11.91154 
1 1 1 3  27 30 o 20.020  5.8366 2.1047   2.5540  17.914  7.3837 22.126  9.0412 -4.212355      11.67316 
1 1 1 3  27 32 o 14.866  4.9876 -5.5682  2.8183  14.545  6.8688 15.187  7.2335 -0.6421671     9.975140 
1 1 1 3  27 34 o 25.642  5.5507 6.8701   2.7134  34.257  8.0485 17.027  7.6460 17.22982       11.10132 
1 1 1 3  27 36 o 20.436  5.7163 3.7612   2.2841  20.546  6.6550 20.325  9.2960 0.2208729      11.43266 
1 1 1 3  27 38 o 15.562  5.0785 0.2285   1.9457  13.399  5.6192 17.724  8.4609 -4.324994      10.15691 
1 1 1 3  28 1  o 152.291 1.8382 232.438  3.9545  157.142 2.5350 147.441 2.6626 9.701065       3.676377 
1 1 1 3  28 3  o 191.928 2.1474 364.307  5.6055  199.668 3.4408 184.188 2.5702 15.47998       4.294777 
1 1 1 3  28 5  o 226.210 2.2098 514.031  6.8477  227.895 2.6346 224.524 3.5484 3.370728       4.419554 
1 1 1 3  28 7  o 167.347 2.0558 281.734  4.5059  168.839 2.1884 165.855 3.4809 2.984299       4.111645 
1 1 1 3  28 9  o 50.294  3.8117 24.933   2.5204  47.813  4.2261 52.775  6.3448 -4.962563      7.623415 
1 1 1 3  28 11 o 192.414 2.2822 371.634  5.5995  192.853 2.3051 191.975 3.9395 0.8784943      4.564355 
1 1 1 3  28 13 o 189.630 1.9429 362.572  5.0597  194.016 2.3210 185.243 3.1166 8.773300       3.885880 
1 1 1 3  28 15 o 75.940  2.9491 58.528   3.0791  78.649  3.5234 73.230  4.7302 5.418953       5.898237 
1 1 1 3  28 17 o 104.091 2.3792 107.844  3.3254  101.554 2.7287 106.629 3.8983 -5.074524      4.758460 
1 1 1 3  28 19 o 89.819  2.8399 79.486   3.4639  83.669  3.4501 95.969  4.5118 -12.29984      5.679724 
1 1 1 3  28 21 o 113.224 2.2677 130.577  3.4827  117.706 2.5995 108.742 3.7164 8.963554       4.535305 
1 1 1 3  28 23 o 90.446  2.5300 83.222   3.0296  92.653  2.7416 88.239  4.2528 4.414253       5.059906 
1 1 1 3  28 25 f 15.457  5.1246 -5.7378  2.8512  15.644  7.1310 15.270  7.3617 0.3746729      10.24921 
1 1 1 3  28 27 o 60.682  3.6257 38.188   3.0326  63.590  4.3578 57.775  5.7958 5.815292       7.251318 
1 1 1 3  28 29 o 51.185  4.0956 26.366   2.7981  46.343  4.8584 56.026  6.5949 -9.683113      8.191275 
1 1 1 3  28 31 o 45.124  4.7896 21.934   3.0064  42.718  6.2168 47.530  7.2879 -4.812271      9.579234 
1 1 1 3  28 33 o 15.270  5.0798 -3.6330  2.7759  14.191  6.7089 16.350  7.6294 -2.159511      10.15957 
1 1 1 3  28 35 o 27.356  7.2717 9.0138   3.5651  18.452  7.9884 36.261  12.153 -17.80814      14.54347 
1 1 1 3  28 37 o 29.521  6.1839 11.919   2.3349  31.780  4.7232 27.263  11.430 4.517462       12.36783 
1 1 1 3  29 0  o 135.367 2.8603 183.704  7.7361  135.367 2.8603 ?       ?      0.000000       0.000000 
1 1 1 3  29 2  o 99.881  2.1476 99.527   2.9977  102.628 3.2627 97.135  2.7935 5.492851       4.295221 
1 1 1 3  29 4  o 139.499 2.1591 194.841  4.1991  138.503 2.7511 140.496 3.3284 -1.993332      4.318210 
1 1 1 3  29 6  o 159.637 2.1832 255.440  4.5136  159.626 2.2785 159.648 3.7247 -0.2175903E-01 4.366380 
1 1 1 3  29 8  o 56.488  3.7313 32.169   2.7894  56.627  4.0781 56.350  6.2496 0.2767639      7.462500 
1 1 1 3  29 10 o 162.632 2.1093 266.014  4.6158  164.090 2.3925 161.173 3.4746 2.917892       4.218576 
1 1 1 3  29 12 o 152.806 2.0918 238.916  4.2194  160.425 2.2312 145.187 3.5390 15.23813       4.183638 
1 1 1 3  29 14 o 41.617  5.6128 18.346   3.1081  43.947  6.1742 39.286  9.3752 4.661816       11.22569 
1 1 1 3  29 16 o 77.835  3.3323 59.772   3.1560  75.030  3.1548 80.640  5.8706 -5.610573      6.664562 
1 1 1 3  29 18 o 32.509  6.0142 11.101   2.8085  26.659  8.3720 38.358  8.6366 -11.69972      12.02832 
1 1 1 3  29 20 f 19.864  5.8557 0.9043   2.6909  16.658  7.3353 23.071  9.1296 -6.413094      11.71133 
1 1 1 3  29 22 o 80.546  2.7114 64.139   2.9697  75.230  3.2998 85.863  4.3032 -10.63201      5.422806 
1 1 1 3  29 24 o 35.617  5.9167 13.163   2.6172  31.975  6.3646 39.258  9.9760 -7.283125      11.83344 
1 1 1 3  29 26 o 29.001  6.7221 9.1286   3.2231  31.033  8.3665 26.969  10.524 4.063786       13.44428 
1 1 1 3  29 28 o 40.256  5.6274 17.730   2.9636  38.699  6.2658 41.813  9.3494 -3.114365      11.25486 
1 1 1 3  29 30 o 33.164  6.4068 13.308   3.0652  33.941  8.0964 32.387  9.9318 1.553806       12.81370 
1 1 1 3  29 32 o 40.038  5.8075 20.517   3.1081  47.732  5.6848 32.345  10.129 15.38607       11.61502 
1 1 1 3  29 34 o 61.060  3.6110 40.997   3.0560  62.186  4.4562 59.935  5.6832 2.251518       7.221956 
1 1 1 3  29 36 o 31.748  7.4051 16.434   3.8620  34.809  7.9641 28.688  12.487 6.121017       14.81013 
1 1 1 3  30 1  o 79.942  2.9788 64.274   3.3126  79.789  4.6308 80.095  3.7482 -0.3059692     5.957602 
1 1 1 3  30 3  o 48.536  4.7877 25.056   2.9691  53.527  4.8536 43.546  8.2541 9.980503       9.575337 
1 1 1 3  30 5  o 96.603  3.0029 96.140   3.5889  100.780 2.8070 92.426  5.3094 8.353569       6.005729 
1 1 1 3  30 7  o 68.646  3.4276 49.982   2.9697  75.981  3.2672 61.310  6.0265 14.67096       6.855210 
1 1 1 3  30 9  o 27.671  6.3505 7.6288   2.7735  26.718  8.1322 28.625  9.7562 -1.906717      12.70104 
1 1 1 3  30 11 o 68.779  3.3604 48.146   2.9534  69.950  3.3839 67.608  5.8067 2.342537       6.720774 
1 1 1 3  30 13 o 136.510 1.9009 185.132  3.4141  133.412 2.0771 139.607 3.1842 -6.195206      3.801795 
1 1 1 3  30 15 o 79.261  2.8663 63.006   3.1456  77.036  3.5972 81.486  4.4635 -4.449638      5.732623 
1 1 1 3  30 17 o 63.670  4.1265 41.247   3.4575  63.248  4.4727 64.092  6.9359 -0.8445778     8.253001 
1 1 1 3  30 19 o 93.912  3.2973 87.970   3.8457  91.562  3.2157 96.262  5.7575 -4.700157      6.594693 
1 1 1 3  30 21 o 31.850  6.4928 11.118   3.0903  33.807  7.9751 29.892  10.248 3.914665       12.98554 
1 1 1 3  30 23 o 32.843  6.2324 11.347   2.7375  28.314  7.4451 37.373  9.9972 -9.058746      12.46488 
1 1 1 3  30 25 o 23.600  6.5284 3.9951   2.9695  18.283  7.6692 28.917  10.567 -10.63444      13.05683 
1 1 1 3  30 27 o 20.170  5.9899 1.9086   2.8527  20.047  8.0134 20.292  8.9050 -0.2453194     11.97977 
1 1 1 3  30 29 o 22.862  6.6112 4.6245   3.2468  20.409  8.3518 25.315  10.251 -4.905521      13.22248 
1 1 1 3  30 31 o 18.432  5.7451 0.6311   2.9707  19.556  8.3467 17.308  7.8968 2.248213       11.49030 
1 1 1 3  30 33 o 24.336  6.1221 6.8146   3.0587  30.568  9.1294 18.105  8.1593 12.46369       12.24419 
1 1 1 3  31 0  o 261.760 3.3757 687.245  17.666  261.760 3.3757 ?       ?      0.000000       0.000000 
1 1 1 3  31 2  o 197.084 1.9301 390.086  5.3592  195.079 2.8706 199.090 2.5808 -4.010696      3.860222 
1 1 1 3  31 4  o 108.153 2.5983 115.306  3.6804  103.432 2.8466 112.873 4.3476 -9.440376      5.196621 
1 1 1 3  31 6  o 40.414  5.3987 16.686   2.4698  39.721  4.5056 41.107  9.8125 -1.386139      10.79749 
1 1 1 3  31 8  o 61.182  3.7539 38.814   2.9201  64.063  3.6948 58.300  6.5357 5.763058       7.507835 
1 1 1 3  31 10 o 76.319  3.0523 59.501   2.9237  78.031  2.9594 74.608  5.3393 3.423759       6.104635 
1 1 1 3  31 12 o 48.804  5.2466 26.057   3.0010  53.176  4.4513 44.432  9.5022 8.743561       10.49311 
1 1 1 3  31 14 o 31.825  6.2763 10.600   2.7530  29.491  7.4358 34.159  10.113 -4.667927      12.55257 
1 1 1 3  31 16 o 78.311  3.4949 60.546   3.4946  74.276  3.6532 82.346  5.9593 -8.070190      6.989894 
1 1 1 3  31 18 o 123.012 2.3702 151.335  3.8980  120.416 2.6849 125.608 3.9068 -5.191399      4.740422 
1 1 1 3  31 20 o 76.479  2.9613 60.126   3.1017  79.323  3.4935 73.635  4.7826 5.687546       5.922653 
1 1 1 3  31 22 f 34.717  6.2580 13.844   3.0922  38.864  6.3876 30.569  10.763 8.295103       12.51597 
1 1 1 3  31 24 o 38.066  6.0471 18.078   3.2311  47.872  5.4268 28.260  10.808 19.61220       12.09413 
1 1 1 3  31 26 o 18.012  5.9085 -3.2086  3.4039  16.287  7.4972 19.737  9.1342 -3.449934      11.81702 
1 1 1 3  31 28 o 24.828  6.7107 7.2976   3.2582  25.268  8.6857 24.388  10.232 0.8797474      13.42148 
1 1 1 3  31 30 o 36.130  6.1815 18.523   3.5003  46.262  6.2397 25.997  10.673 20.26509       12.36292 
1 1 1 3  31 32 o 19.614  6.0589 3.0540   3.0296  15.975  7.2635 23.253  9.6995 -7.277931      12.11771 
1 1 1 3  32 1  o 87.360  2.9939 77.166   3.6913  88.050  4.0652 86.670  4.3964 1.379456       5.987806 
1 1 1 3  32 3  o 69.729  3.6456 50.780   3.0608  73.201  3.2336 66.257  6.5350 6.944054       7.291294 
1 1 1 3  32 5  o 29.616  6.1332 9.3503   2.7926  32.512  8.1713 26.720  9.1485 5.791828       12.26642 
1 1 1 3  32 7  o 93.188  2.3467 87.478   3.0819  93.374  3.1533 93.002  3.4763 0.3722458      4.693377 
1 1 1 3  32 9  f 97.546  2.6182 95.833   3.5040  97.049  3.1529 98.042  4.1808 -0.9936676     5.236405 
1 1 1 3  32 11 o 34.638  6.3537 12.913   2.9209  35.426  6.6016 33.850  10.858 1.576797       12.70740 
1 1 1 3  32 13 o 26.358  6.6218 6.5190   2.9809  25.520  8.3021 27.196  10.318 -1.675690      13.24357 
1 1 1 3  32 15 o 62.178  3.2622 38.034   2.7712  54.922  4.2047 69.434  4.9888 -14.51229      6.524423 
1 1 1 3  32 17 o 94.308  2.8941 91.867   3.4919  97.577  2.8991 91.039  5.0098 6.538849       5.788174 
1 1 1 3  32 19 o 82.957  3.0765 70.916   3.3189  84.528  3.2101 81.387  5.2492 3.140572       6.152962 
1 1 1 3  32 21 o 91.734  2.8481 86.583   3.4861  93.435  3.1512 90.033  4.7451 3.402245       5.696181 
1 1 1 3  32 23 o 49.964  5.8944 28.278   3.2827  51.798  4.6812 48.130  10.819 3.667511       11.78874 
1 1 1 3  32 25 o 35.263  6.7604 15.876   3.4391  36.578  8.5164 33.948  10.502 2.630787       13.52084 
1 1 1 3  32 27 o 23.592  6.7311 4.3162   3.4823  16.631  7.6209 30.553  11.097 -13.92232      13.46225 
1 1 1 3  32 29 o 16.746  5.4947 -1.8917  3.0431  14.841  6.9891 18.651  8.4807 -3.810525      10.98948 
1 1 1 3  32 31 o 38.128  6.4984 21.015   3.2921  42.345  5.9989 33.911  11.529 8.433697       12.99674 
1 1 1 3  33 0  o 123.827 2.9877 154.030  7.3897  123.827 2.9877 ?       ?      0.000000       0.000000 
1 1 1 3  33 2  o 111.467 4.4984 129.797  4.4116  114.653 2.5177 108.281 8.6374 6.372368       8.996868 
1 1 1 3  33 4  o 38.005  6.0050 16.474   3.1022  45.397  5.5956 30.613  10.627 14.78339       12.00990 
1 1 1 3  33 6  o 80.187  2.8651 64.009   2.9391  78.002  2.9606 82.372  4.9061 -4.369705      5.730180 
1 1 1 3  33 8  o 52.491  4.4151 27.760   3.2087  47.455  5.8396 57.527  6.6236 -10.07218      8.830175 
1 1 1 3  33 10 o 54.283  4.8278 29.600   3.3876  51.102  5.1969 57.465  8.1376 -6.363770      9.655501 
1 1 1 3  33 12 o 22.703  6.2761 3.8515   2.8672  21.270  8.2878 24.135  9.4270 -2.864542      12.55210 
1 1 1 3  33 14 o 53.561  4.5520 30.409   3.0470  55.916  4.3365 51.206  8.0050 4.710011       9.104089 
1 1 1 3  33 16 o 82.883  3.1676 71.639   3.2794  85.912  3.0240 79.855  5.5668 6.057625       6.335148 
1 1 1 3  33 18 o 62.107  4.0036 41.843   3.1682  68.071  3.9014 56.144  6.9924 11.92698       8.007135 
1 1 1 3  33 20 o 48.433  5.2069 26.061   3.1366  50.150  5.0652 46.716  9.0990 3.434883       10.41385 
1 1 1 3  33 22 o 44.060  5.6472 22.764   3.3325  49.817  6.2580 38.303  9.4021 11.51421       11.29432 
1 1 1 3  33 24 o 29.713  6.8550 11.734   3.2474  30.601  8.2862 28.825  10.923 1.776026       13.71006 
1 1 1 3  33 26 o 17.712  5.7642 -1.1129  3.2020  17.214  7.5877 18.211  8.6793 -0.9970512     11.52840 
1 1 1 3  33 28 o 42.478  6.4809 25.577   3.5115  49.144  5.6388 35.813  11.671 13.33121       12.96175 
1 1 1 3  34 1  o 78.939  3.1907 62.805   3.2176  77.886  3.2615 79.993  5.4851 -2.107407      6.381462 
1 1 1 3  34 3  o 24.891  6.8906 1.7053   3.3609  15.014  6.9848 34.769  11.880 -19.75510      13.78118 
1 1 1 3  34 5  o 63.007  4.2618 42.583   3.2006  67.438  3.6811 58.575  7.6878 8.863285       8.523675 
1 1 1 3  34 7  o 18.544  5.8864 -2.3589  2.8294  12.901  6.1557 24.187  10.035 -11.28581      11.77271 
1 1 1 3  34 9  o 22.064  6.5015 2.0823   3.2653  21.302  8.4896 22.825  9.8491 -1.522972      13.00296 
1 1 1 3  34 11 o 31.098  6.9114 10.680   3.2474  30.638  8.2817 31.558  11.067 -0.9193020     13.82275 
1 1 1 3  34 13 o 39.117  6.0118 18.683   2.9980  47.187  4.8939 31.047  10.983 16.14041       12.02358 
1 1 1 3  34 15 o 30.642  6.1290 10.557   3.2176  38.051  6.9324 23.232  10.109 14.81916       12.25797 
1 1 1 3  34 17 o 35.936  5.5970 14.570   2.6737  34.374  6.7918 37.498  8.8980 -3.123436      11.19391 
1 1 1 3  34 19 o 63.344  3.8552 42.090   3.3281  61.208  4.6218 65.480  6.1718 -4.271835      7.710475 
1 1 1 3  34 21 o 40.742  5.9184 20.269   3.2089  41.525  6.5344 39.959  9.8698 1.565777       11.83687 
1 1 1 3  34 23 o 27.778  6.9162 10.315   3.4575  29.848  8.8515 25.707  10.629 4.140747       13.83235 
1 1 1 3  34 25 o 19.899  6.2241 2.0802   3.3103  19.166  8.0370 20.631  9.5059 -1.465231      12.44813 
1 1 1 3  34 27 o 18.777  6.3484 -0.6627  4.0649  16.489  7.6411 21.065  10.140 -4.575739      12.69673 
1 1 1 3  35 0  o 175.866 2.7919 310.946  9.8145  175.866 2.7919 ?       ?      0.000000       0.000000 
1 1 1 3  35 2  o 108.848 2.5227 120.114  3.7435  108.524 2.9791 109.171 4.0719 -0.6473541     5.045357 
1 1 1 3  35 4  o 21.384  6.6532 -1.3530  3.3740  14.008  6.6632 28.760  11.518 -14.75188      13.30638 
1 1 1 3  35 6  o 55.775  4.6950 34.226   3.1860  60.733  4.1826 50.817  8.4071 9.916576       9.390037 
1 1 1 3  35 8  o 43.097  6.2197 20.951   3.5458  45.290  6.6286 40.905  10.526 4.384914       12.43933 
1 1 1 3  35 10 o 35.309  6.5202 14.584   3.1975  37.398  7.2038 33.219  10.870 4.179058       13.04044 
1 1 1 3  35 12 o 59.867  4.7895 39.773   3.6625  65.086  4.7012 54.647  8.3460 10.43880       9.578949 
1 1 1 3  35 14 o 57.791  4.6085 34.966   3.3692  55.064  4.7181 60.518  7.9179 -5.454567      9.217012 
1 1 1 3  35 16 o 43.174  5.9444 21.452   3.2922  43.043  6.1699 43.305  10.162 -0.2620277     11.88875 
1 1 1 3  35 18 o 26.051  6.7214 8.5004   3.1022  24.996  8.4975 27.107  10.416 -2.111073      13.44288 
1 1 1 3  35 20 o 16.475  5.6615 -6.8908  3.6475  13.511  6.5983 19.440  9.2017 -5.929139      11.32298 
1 1 1 3  35 22 o 18.978  6.1270 -0.0266  3.6247  18.689  8.2712 19.268  9.0415 -0.5789452     12.25406 
1 1 1 3  35 24 o 27.842  6.2124 11.017   3.4232  36.634  8.9004 19.050  8.6694 17.58431       12.42480 
1 1 1 3  36 1  o 42.725  4.4663 19.925   2.5662  38.100  7.2321 47.350  5.2428 -9.250320      8.932538 
1 1 1 3  36 3  o 22.980  6.6093 3.8191   3.2835  22.365  8.5963 23.595  10.042 -1.229969      13.21858 
1 1 1 3  36 5  o 24.687  7.0238 4.7242   3.5376  24.211  8.5643 25.164  11.135 -0.9523716     14.04758 
1 1 1 3  36 7  f 28.926  6.0176 9.6635   2.8911  34.419  7.2700 23.433  9.5913 10.98550       12.03524 
1 1 1 3  36 9  o 22.532  6.8130 2.6347   3.6389  19.724  8.4682 25.340  10.675 -5.615803      13.62599 
1 1 1 3  36 11 o 26.163  6.6640 6.4345   3.6135  30.739  9.0051 21.587  9.8258 9.151699       13.32808 
1 1 1 3  36 13 o 56.864  4.3633 35.084   3.4450  51.462  5.8336 62.267  6.4902 -10.80514      8.726619 
1 1 1 3  36 15 o 43.550  6.7625 24.752   3.8193  47.061  6.5018 40.039  11.860 7.021938       13.52503 
1 1 1 3  36 17 o 31.584  6.5811 13.749   3.5252  38.040  7.7055 25.128  10.671 12.91293       13.16222 
1 1 1 3  36 19 o 22.299  6.6564 5.1136   3.4174  21.412  8.4411 23.185  10.295 -1.772711      13.31272 
1 1 1 3  36 21 o 37.914  6.6599 20.931   3.5040  39.271  8.0684 36.557  10.598 2.714298       13.31983 
1 1 1 3  37 0  o 10.951  7.6106 -3.3485  5.5423  10.951  7.6106 ?       ?      0.000000       0.000000 
1 1 1 3  37 2  o 21.037  6.0187 2.3709   3.0175  17.733  8.1006 24.341  8.9039 -6.608263      12.03745 
1 1 1 3  37 4  o 19.395  5.9952 -0.0577  2.9636  14.318  6.7113 24.473  9.9362 -10.15501      11.99035 
1 1 1 3  37 6  o 17.186  5.6148 -2.6089  3.1914  16.552  7.6591 17.820  8.2125 -1.268461      11.22967 
1 1 1 3  37 8  f 17.394  5.8421 -3.0403  3.2457  14.487  6.7724 20.300  9.5212 -5.812908      11.68412 
1 1 1 3  37 10 o 29.571  6.7581 11.473   3.6475  35.047  8.4807 24.096  10.525 10.95058       13.51625 
1 1 1 3  37 12 o 27.652  7.5805 10.015   3.9768  26.847  9.2342 28.458  12.024 -1.611015      15.16097 
1 1 1 3  37 14 o 23.042  6.8757 5.6162   3.7580  22.918  8.9933 23.167  10.403 -0.2495975     13.75134 
1 1 1 3  37 16 o 57.562  4.7691 37.224   3.4111  55.319  4.6963 59.806  8.3018 -4.486866      9.538109 
1 1 1 3  37 18 o 41.546  5.8866 23.104   3.2997  38.159  7.9751 44.933  8.6606 -6.774158      11.77322 
1 1 1 3  38 1  o 77.012  3.2608 63.199   3.5503  78.432  4.5637 75.591  4.6589 2.841568       6.521674 
1 1 1 3  38 3  o 68.818  3.2362 50.376   3.1334  69.453  4.8212 68.183  4.3183 1.270302       6.472412 
1 1 1 3  38 5  o 66.647  4.4571 49.203   3.8355  65.688  4.6581 67.605  7.6003 -1.917412      8.914138 
1 1 1 3  38 7  o 19.984  6.0475 0.4857   3.4823  23.003  8.8611 16.965  8.2324 6.037569       12.09506 
1 1 1 3  38 9  o 18.257  5.9578 -0.7724  3.3476  17.341  7.6177 19.174  9.1625 -1.832903      11.91557 
1 1 1 3  38 11 o 25.641  7.5380 8.7368   4.1567  24.216  9.2412 27.065  11.912 -2.848312      15.07609 
1 1 1 3  38 13 o 30.226  7.2687 14.445   3.8457  33.145  8.7525 27.307  11.607 5.838236       14.53748 
1 1 1 3  38 15 o 51.445  6.8200 39.014   4.1612  60.592  5.4310 42.298  12.512 18.29446       13.64009 
1 1 1 3  39 0  o 19.527  11.303 7.1588   7.0433  19.527  11.303 ?       ?      0.000000       0.000000 
1 1 1 3  39 2  o 53.523  4.6924 33.423   3.5484  53.579  6.4651 53.467  6.8026 0.1117859      9.384717 
1 1 1 3  39 4  o 45.374  5.7020 26.095   3.5217  51.317  6.8626 39.431  9.1080 11.88572       11.40395 
1 1 1 3  39 6  o 32.339  7.1617 16.060   3.5786  34.530  8.0071 30.148  11.876 4.382223       14.32343 
1 1 1 3  39 8  o 30.739  7.0982 15.782   3.7587  34.562  8.5541 26.915  11.330 7.646866       14.19647 
1 1 1 3  39 10 o 22.916  7.1902 6.2305   3.6000  17.097  7.5554 28.735  12.236 -11.63843      14.38033 
1 1 1 4  1  1  o 80.531  1.3243 67.857   1.2677  74.831  2.3916 86.231  1.1382 -11.39988      2.648655 
1 1 1 4  1  5  o 877.962 5.3764 7721.17  66.451  888.540 7.1472 867.384 8.0337 21.15588       10.75278 
1 1 1 4  1  7  o 538.612 3.1794 2900.99  24.215  543.949 4.5108 533.275 4.4820 10.67377       6.358842 
1 1 1 4  1  9  o 405.423 2.6842 1645.67  15.237  408.119 3.4658 402.727 4.0999 5.391602       5.368493 
1 1 1 4  1  11 o 552.172 3.3678 3044.62  25.335  549.143 3.9740 555.201 5.4384 -6.058411      6.735616 
1 1 1 4  1  13 o 400.806 2.4502 1607.11  13.885  406.589 3.4220 395.023 3.5076 11.56595       4.900333 
1 1 1 4  1  15 o 475.221 2.8048 2259.12  18.848  476.034 3.9900 474.408 3.9429 1.625244       5.609506 
1 1 1 4  1  17 o 369.971 2.3117 1368.68  12.089  372.022 3.3210 367.920 3.2168 4.101959       4.623462 
1 1 1 4  1  19 o 205.428 1.4711 422.016  4.2714  200.102 2.1062 210.753 2.0545 -10.65092      2.942251 
1 1 1 4  1  21 o 769.086 4.3873 5918.28  47.707  770.026 6.2829 768.147 6.1254 1.878723       8.774651 
1 1 1 4  1  23 o 176.719 1.4443 311.566  3.5896  180.181 2.1468 173.257 1.9327 6.923279       2.888562 
1 1 1 4  1  25 o 363.517 2.2575 1322.08  11.604  361.555 3.2255 365.479 3.1593 -3.924194      4.514947 
1 1 1 4  1  27 o 307.543 2.0325 945.952  8.8146  308.532 2.9939 306.554 2.7496 1.978027       4.064929 
1 1 1 4  1  29 o 90.827  1.4320 82.942   1.7961  88.917  2.2725 92.737  1.7431 -3.819756      2.864014 
1 1 1 4  1  31 o 291.616 2.0473 850.951  8.3969  292.145 3.0630 291.088 2.7172 1.057556       4.094527 
1 1 1 4  1  33 o 29.826  3.8544 8.9517   1.5451  31.265  6.1273 28.387  4.6777 2.878536       7.708755 
1 1 1 4  1  35 o 114.121 1.9183 130.555  3.0819  112.824 2.8655 115.418 2.5510 -2.593460      3.836540 
1 1 1 4  1  37 o 134.278 1.6468 180.942  3.1133  131.283 2.4626 137.273 2.1869 -5.989975      3.293517 
1 1 1 4  1  39 o 39.255  4.3220 16.225   2.1383  36.589  7.5163 41.922  4.2691 -5.333923      8.644069 
1 1 1 4  1  41 o 103.707 1.7824 107.298  2.4520  105.006 2.9689 102.409 1.9731 2.596794       3.564777 
1 1 1 4  1  43 f 60.148  3.0027 37.295   2.3555  57.380  5.1314 62.917  3.1198 -5.537979      6.005327 
1 1 1 4  1  45 f 82.361  2.3763 67.161   2.6737  88.103  3.7351 76.620  2.9386 11.48277       4.752523 
1 1 1 4  1  47 o 41.855  4.3819 16.240   2.2490  51.196  7.2171 32.514  4.9718 18.68271       8.763812 
1 1 1 4  1  49 o 19.553  5.7809 2.3896   2.5540  22.998  9.1780 16.109  7.0315 6.888969       11.56188 
1 1 1 4  1  51 o 33.853  6.5453 15.404   2.9891  32.900  11.241 34.806  6.7083 -1.906284      13.09064 
1 1 1 4  2  2  o 757.142 5.2088 5735.33  55.768  748.653 7.4107 765.631 7.3218 -16.97729      10.41768 
1 1 1 4  2  4  f 838.778 5.2349 7026.27  61.440  847.222 7.9727 830.333 6.7860 16.88983       10.46971 
1 1 1 4  2  6  o 215.278 1.4980 463.239  4.5579  212.583 2.0911 217.973 2.1454 -5.389999      2.995903 
1 1 1 4  2  8  o 291.265 1.8851 848.319  7.7640  289.501 2.6523 293.029 2.6795 -3.527771      3.770166 
1 1 1 4  2  10 o 595.111 3.6033 3523.09  29.259  584.555 4.2962 605.667 5.7859 -21.11194      7.206542 
1 1 1 4  2  12 o 108.841 1.0309 119.286  1.5246  111.202 1.1941 106.480 1.6808 4.722000       2.061760 
1 1 1 4  2  14 o 654.724 3.7660 4288.29  34.849  660.223 5.4128 649.225 5.2377 10.99847       7.532013 
1 1 1 4  2  16 o 545.454 3.1841 2974.11  24.544  536.716 4.4425 554.191 4.5628 -17.47498      6.368267 
1 1 1 4  2  18 o 650.781 3.7568 4232.06  34.535  638.214 5.2195 663.349 5.4047 -25.13495      7.513557 
1 1 1 4  2  20 o 370.347 2.3045 1371.91  12.062  369.403 3.3289 371.291 3.1876 -1.888275      4.608904 
1 1 1 4  2  22 o 189.501 1.4004 358.995  3.7490  190.856 2.0267 188.145 1.9332 2.710480       2.800816 
1 1 1 4  2  24 o 280.367 1.8563 785.954  7.3580  276.569 2.6093 284.165 2.6411 -7.595978      3.712692 
1 1 1 4  2  26 o 58.344  1.6041 34.278   1.2675  57.155  2.6263 59.534  1.8425 -2.378742      3.208140 
1 1 1 4  2  28 o 321.544 2.1268 1034.41  9.6659  322.285 3.0632 320.803 2.9514 1.482513       4.253681 
1 1 1 4  2  30 o 119.933 1.3688 144.471  2.3078  114.709 2.0635 125.157 1.7990 -10.44765      2.737592 
1 1 1 4  2  32 o 213.867 1.8689 457.350  5.4834  214.595 2.9862 213.139 2.2482 1.456207       3.737896 
1 1 1 4  2  34 o 77.632  1.8885 60.343   1.9151  77.576  3.2001 77.687  2.0065 -0.1100159     3.777081 
1 1 1 4  2  36 o 181.935 1.7379 328.485  4.3187  187.087 2.7773 176.783 2.0901 10.30373       3.475854 
1 1 1 4  2  38 o 77.771  2.0201 61.287   2.0999  75.477  3.3656 80.066  2.2353 -4.588882      4.040236 
1 1 1 4  2  40 o 156.173 1.7498 244.090  3.7765  157.142 2.7554 155.204 2.1575 1.938660       3.499570 
1 1 1 4  2  42 o 37.206  4.5190 14.259   2.1748  37.764  7.6051 36.648  4.8835 1.116367       9.038060 
1 1 1 4  2  44 o 39.105  4.2052 16.117   2.0537  37.554  7.3333 40.656  4.1181 -3.102188      8.410481 
1 1 1 4  2  46 o 38.633  5.0949 15.298   2.6256  48.049  7.0891 29.217  7.3196 18.83125       10.18976 
1 1 1 4  2  48 o 61.534  3.5473 37.475   2.7069  67.128  6.1062 55.940  3.6121 11.18796       7.094622 
1 1 1 4  2  50 o 27.499  6.4203 9.4104   2.6424  28.587  10.615 26.412  7.2253 2.174448       12.84062 
1 1 1 4  2  52 o 27.283  6.8326 11.147   3.3113  24.473  11.720 30.092  7.0271 -5.619699      13.66518 
1 1 1 4  3  1  o 1158.95 18.097 13466.87 419.483 1158.95 18.097 ?       ?      ?              ?        
1 1 1 4  3  3  o 514.164 3.1119 2641.97  22.610  504.875 4.3453 523.453 4.4558 -18.57837      6.223781 
1 1 1 4  3  5  o 509.769 3.2046 2587.97  22.188  516.314 5.1883 503.224 3.7630 13.08963       6.409225 
1 1 1 4  3  7  o 1215.64 9.5876 14799.63 164.824 1216.71 13.509 1214.57 13.609 2.147217       19.17517 
1 1 1 4  3  9  o 689.251 3.9945 4750.04  38.917  699.518 5.7029 678.984 5.5948 20.53387       7.989077 
1 1 1 4  3  11 o 458.174 2.7764 2104.44  17.706  463.256 3.4894 453.091 4.3195 10.16498       5.552856 
1 1 1 4  3  13 o 400.058 2.9368 1592.32  14.990  395.879 2.9896 404.237 5.0558 -8.357300      5.873524 
1 1 1 4  3  15 o 108.095 1.3886 116.850  3.0021  ?       ?      108.095 1.3886 ?              ?        
1 1 1 4  3  17 o 219.795 1.5417 482.563  4.7807  222.893 2.2534 216.696 2.1047 6.197739       3.083462 
1 1 1 4  3  21 o 348.165 2.2926 1212.53  11.286  346.382 3.2834 349.948 3.2005 -3.566010      4.585208 
1 1 1 4  3  23 o 233.602 1.6259 543.810  5.3294  239.271 2.4370 227.932 2.1529 11.33855       3.251763 
1 1 1 4  3  25 o 160.070 1.3656 256.372  3.0863  158.969 1.9974 161.171 1.8627 -2.201385      2.731154 
1 1 1 4  3  27 o 121.513 1.3905 146.218  2.2769  124.834 2.2661 118.192 1.6119 6.642014       2.780937 
1 1 1 4  3  29 f 238.518 1.7293 569.287  5.8287  237.415 2.5047 239.622 2.3852 -2.206970      3.458698 
1 1 1 4  3  31 o 58.671  2.1963 34.403   1.8144  62.899  3.0289 54.443  3.1812 8.456310       4.392559 
1 1 1 4  3  33 o 124.659 1.5381 155.982  2.6470  123.121 2.4383 126.198 1.8756 -3.076782      3.076273 
1 1 1 4  3  35 o 62.902  1.9857 39.296   1.7225  64.862  3.1153 60.942  2.4631 3.920498       3.971335 
1 1 1 4  3  37 o 90.905  1.8540 82.570   2.2352  91.444  3.0936 90.366  2.0444 1.077545       3.708069 
1 1 1 4  3  39 o 113.123 1.7321 128.916  2.7177  110.144 2.7256 116.102 2.1382 -5.957375      3.464213 
1 1 1 4  3  41 o 63.622  2.5259 41.667   2.0537  60.589  4.3831 66.655  2.5118 -6.065800      5.051809 
1 1 1 4  3  43 o 68.132  3.0079 46.094   2.4236  69.743  5.3806 66.521  2.6904 3.221588       6.015783 
1 1 1 4  3  45 o 71.966  2.7681 52.904   2.7122  70.595  4.4979 73.336  3.2276 -2.741005      5.536104 
1 1 1 4  3  47 o 21.474  6.0371 3.4357   2.6298  22.092  9.3565 20.857  7.6317 1.234247       12.07426 
1 1 1 4  3  49 o 15.817  5.1899 -1.6681  2.4370  17.780  8.2793 13.854  6.2604 3.925890       10.37977 
1 1 1 4  3  51 o 19.280  5.7508 2.2466   2.7316  18.479  8.6509 20.081  7.5797 -1.602314      11.50169 
1 1 1 4  4  0  o 63.178  1.0973 39.951   1.3856  63.178  1.0973 ?       ?      0.000000       0.000000 
1 1 1 4  4  4  o 843.896 4.8835 7124.13  58.281  840.841 6.9347 846.951 6.8778 -6.109436      9.767001 
1 1 1 4  4  6  o 906.765 6.0608 8217.88  77.627  925.203 8.7172 888.328 8.4227 36.87518       12.12154 
1 1 1 4  4  8  o 559.656 3.8960 3133.69  30.825  562.738 5.4168 556.575 5.6013 6.162720       7.792099 
1 1 1 4  4  10 o 186.941 1.3873 345.347  3.5839  178.156 1.7499 195.725 2.1532 -17.56894      2.774636 
1 1 1 4  4  12 o 146.301 1.4623 214.972  2.6268  147.331 1.3715 145.271 2.5832 2.059555       2.924673 
1 1 1 4  4  14 o 492.209 3.5881 2390.44  22.378  479.622 3.6352 504.795 6.1873 -25.17322      7.176155 
1 1 1 4  4  16 o 675.979 3.8715 4571.60  37.003  673.606 5.5452 678.351 5.4043 -4.744934      7.743093 
1 1 1 4  4  18 o 386.838 2.3815 1484.98  12.924  365.054 3.2262 408.622 3.5039 -43.56839      4.762933 
1 1 1 4  4  20 o 35.691  2.0791 12.541   0.9879  37.065  3.4267 34.317  2.3553 2.747906       4.158101 
1 1 1 4  4  22 o 148.643 1.1979 221.407  2.5110  143.478 1.7705 153.809 1.6140 -10.33151      2.395739 
1 1 1 4  4  24 o 323.759 2.2875 1047.15  10.286  325.778 3.5620 321.741 2.8710 4.037506       4.574977 
1 1 1 4  4  26 o 117.297 1.2712 137.365  2.0973  118.969 1.8926 115.624 1.6977 3.344467       2.542403 
1 1 1 4  4  28 f 176.507 1.4254 311.461  3.5315  177.191 2.1504 175.824 1.8716 1.366669       2.850825 
1 1 1 4  4  30 o 199.157 1.6778 397.276  4.6753  197.815 2.5683 200.498 2.1596 -2.682816      3.355566 
1 1 1 4  4  32 o 162.524 1.5346 264.384  3.5132  161.986 2.2810 163.061 2.0535 -1.075073      3.069159 
1 1 1 4  4  34 o 170.125 1.5633 289.746  3.7384  169.626 2.3484 170.625 2.0640 -0.9995575     3.126519 
1 1 1 4  4  36 o 61.719  2.1720 39.848   1.7823  52.124  3.6551 71.315  2.3477 -19.19053      4.344078 
1 1 1 4  4  38 o 77.267  2.1481 60.229   2.1748  76.142  3.6395 78.391  2.2830 -2.249115      4.296264 
1 1 1 4  4  40 o 70.157  2.2734 50.458   2.0784  66.810  3.8886 73.504  2.3563 -6.694176      4.546777 
1 1 1 4  4  42 o 46.780  3.8729 23.140   2.2703  43.146  6.8242 50.414  3.6645 -7.268600      7.745863 
1 1 1 4  4  44 o 37.128  4.9354 15.844   2.2530  30.255  8.9334 44.001  4.1986 -13.74674      9.870833 
1 1 1 4  4  46 o 41.066  4.9773 18.443   2.5204  39.121  8.7763 43.012  4.6979 -3.890518      9.954600 
1 1 1 4  4  48 o 17.007  5.3252 -0.4502  2.4754  17.548  7.9769 16.466  7.0569 1.081917       10.65040 
1 1 1 4  4  50 o 22.070  6.0861 4.3877   2.5497  28.696  10.135 15.444  6.7410 13.25141       12.17224 
1 1 1 4  4  52 o 17.591  8.1468 -0.5773  6.8124  ?       ?      17.591  8.1468 ?              ?        
1 1 1 4  5  1  o 818.418 4.7550 6691.78  54.963  800.091 6.6096 836.745 6.8375 -36.65387      9.509926 
1 1 1 4  5  3  o 421.558 2.6561 1769.80  15.768  403.758 3.6462 439.358 3.8632 -35.60083      5.312152 
1 1 1 4  5  5  o 595.641 3.5502 3548.63  29.905  595.588 5.0114 595.695 5.0299 -0.1061401     7.100342 
1 1 1 4  5  7  o 336.628 2.3623 1132.56  11.093  335.440 3.0119 337.816 3.6401 -2.375732      4.724636 
1 1 1 4  5  9  o 406.012 2.7603 1648.41  15.663  406.587 4.2314 405.437 3.5456 1.149597       5.520518 
1 1 1 4  5  11 o 326.115 2.7199 1056.34  11.716  320.772 2.9877 331.457 4.5460 -10.68518      5.439895 
1 1 1 4  5  13 o 439.021 3.2487 1927.38  19.215  438.398 3.7136 439.644 5.3314 -1.246033      6.497324 
1 1 1 4  5  15 o 289.376 3.4813 797.500  9.6967  275.207 2.3285 303.545 6.5617 -28.33847      6.962591 
1 1 1 4  5  17 o 124.710 1.2139 155.762  2.1361  129.524 1.6492 119.895 1.7816 9.629021       2.427766 
1 1 1 4  5  19 o 592.965 3.4491 3517.05  28.922  590.494 4.8591 595.436 4.8964 -4.942871      6.898248 
1 1 1 4  5  21 o 23.885  3.0294 6.9026   0.8912  16.077  5.5768 31.693  2.3681 -15.61542      6.058764 
1 1 1 4  5  23 o 231.997 1.7326 539.065  5.6201  230.115 2.6594 233.879 2.2216 -3.763977      3.465235 
1 1 1 4  5  25 o 175.096 1.4344 306.727  3.5503  173.217 2.0664 176.976 1.9899 -3.759262      2.868782 
1 1 1 4  5  27 o 224.953 1.8351 505.949  5.8104  223.816 2.4505 226.090 2.7323 -2.273438      3.670158 
1 1 1 4  5  29 o 16.078  3.9658 1.9790   1.1869  14.088  6.0160 18.068  5.1690 -3.980176      7.931674 
1 1 1 4  5  31 o 191.685 1.6830 365.206  4.5017  184.939 2.1852 198.430 2.5603 -13.49106      3.366043 
1 1 1 4  5  33 o 74.954  1.9059 57.466   1.9476  68.670  3.1107 81.239  2.2030 -12.56858      3.811763 
1 1 1 4  5  35 o 50.936  2.4702 26.676   1.6439  47.856  4.2223 54.016  2.5651 -6.159874      4.940441 
1 1 1 4  5  37 o 82.616  1.8670 69.649   2.0404  78.781  3.1511 86.451  2.0034 -7.670052      3.734066 
1 1 1 4  5  39 o 177.480 1.8007 315.893  4.4765  176.670 2.7450 178.290 2.3314 -1.620087      3.601437 
1 1 1 4  5  41 o 92.437  2.0693 85.646   2.6321  93.159  3.2845 91.715  2.5179 1.443634       4.138582 
1 1 1 4  5  43 o 77.033  2.5088 58.708   2.3220  79.051  4.4549 75.015  2.3088 4.035919       5.017684 
1 1 1 4  5  45 o 31.375  5.3712 10.894   2.2414  28.208  9.5005 34.542  5.0141 -6.334381      10.74247 
1 1 1 4  5  47 o 20.104  5.9559 2.1507   2.5775  22.076  9.4725 18.132  7.2224 3.944254       11.91180 
1 1 1 4  5  49 o 16.134  5.3522 -2.1785  2.5273  20.106  9.0110 12.161  5.7780 7.944918       10.70443 
1 1 1 4  5  51 o 17.787  5.7543 0.2309   2.6942  22.170  9.6744 13.404  6.2334 8.765985       11.50865 
1 1 1 4  6  0  o 513.984 4.5611 2642.64  46.879  513.984 4.5611 ?       ?      0.000000       0.000000 
1 1 1 4  6  2  o 56.945  1.0032 32.264   0.8041  53.295  1.4082 60.595  1.4291 -7.299416      2.006381 
1 1 1 4  6  4  o 1413.71 23.012 20084.95 650.643 1413.71 23.012 ?       ?      ?              ?        
1 1 1 4  6  6  o 647.060 4.1925 4190.16  37.955  648.488 5.4039 645.632 6.4114 2.855530       8.384983 
1 1 1 4  6  8  o 214.771 1.6496 458.615  4.9056  209.598 2.0658 219.943 2.5724 -10.34448      3.299204 
1 1 1 4  6  10 o 234.940 1.7340 549.141  5.6537  229.549 2.1881 240.330 2.6905 -10.78049      3.467899 
1 1 1 4  6  12 o 319.288 2.5552 1014.48  10.838  315.250 2.8385 323.325 4.2497 -8.074738      5.110487 
1 1 1 4  6  14 o 535.424 3.8857 2871.95  28.170  537.527 4.4895 533.321 6.3435 4.205444       7.771426 
1 1 1 4  6  16 o 1522.11 14.602 23305.51 302.959 1529.10 17.179 1515.12 23.617 13.98132       29.20390 
1 1 1 4  6  18 o 470.171 2.7996 2208.63  18.591  478.971 4.0379 461.371 3.8791 17.60056       5.599281 
1 1 1 4  6  20 f 62.286  1.2138 38.456   1.0485  64.650  1.8753 59.923  1.5415 4.726254       2.427550 
1 1 1 4  6  22 o 379.680 2.5478 1442.75  13.527  378.560 3.9041 380.800 3.2747 -2.240173      5.095693 
1 1 1 4  6  24 o 399.963 2.5216 1600.66  14.256  398.827 3.6334 401.099 3.4976 -2.272644      5.043280 
1 1 1 4  6  26 o 162.739 1.5704 265.219  3.6062  165.649 2.1260 159.829 2.3118 5.819962       3.140715 
1 1 1 4  6  28 o 35.607  2.5918 12.593   1.2675  36.575  4.1040 34.640  3.1666 1.934601       5.183685 
1 1 1 4  6  30 o 99.347  1.4178 98.722   1.9913  97.343  2.0165 101.351 1.9937 -4.008507      2.835662 
1 1 1 4  6  32 o 58.733  2.1241 35.018   1.7300  53.471  3.3470 63.994  2.6163 -10.52239      4.248220 
1 1 1 4  6  34 o 20.631  4.5982 4.1415   1.4379  20.971  7.3424 20.292  5.5374 0.6787071      9.196330 
1 1 1 4  6  36 o 36.292  4.2122 16.687   1.7411  23.397  7.8969 49.188  2.9342 -25.79184      8.424445 
1 1 1 4  6  38 o 16.888  5.0884 -0.1443  1.9845  17.551  8.0217 16.225  6.2625 1.325821       10.17679 
1 1 1 4  6  40 f 22.865  5.2388 4.9385   1.9801  20.782  8.4062 24.948  6.2543 -4.166122      10.47760 
1 1 1 4  6  42 o 46.243  3.4101 22.316   1.9929  43.536  5.9674 48.949  3.3024 -5.413006      6.820211 
1 1 1 4  6  44 o 15.364  4.9164 -1.4725  2.0244  17.763  7.9335 12.964  5.8089 4.799320       9.832849 
1 1 1 4  6  46 o 20.060  5.6567 2.7794   2.2268  21.999  8.9688 18.122  6.8960 3.876783       11.31347 
1 1 1 4  6  48 o 23.693  5.7893 4.7157   2.2831  32.439  9.6323 14.947  6.4251 17.49182       11.57854 
1 1 1 4  6  50 o 18.969  5.9061 2.1972   2.5021  22.439  9.8017 15.498  6.5922 6.941038       11.81227 
1 1 1 4  7  1  o 195.156 1.5151 378.882  4.1615  184.774 2.0934 205.539 2.1909 -20.76555      3.030231 
1 1 1 4  7  3  o 532.854 3.3128 2836.78  24.937  519.976 4.6299 545.731 4.7393 -25.75507      6.625507 
1 1 1 4  7  5  o 415.213 2.5956 1724.31  15.241  413.865 3.6687 416.562 3.6727 -2.696869      5.191178 
1 1 1 4  7  7  o 232.360 1.6251 539.942  5.3401  233.466 2.2997 231.255 2.2968 2.211090       3.250218 
1 1 1 4  7  9  o 499.333 3.0166 2493.43  21.293  494.163 4.2175 504.503 4.3142 -10.33963      6.033187 
1 1 1 4  7  11 o 339.243 2.6452 1139.68  11.255  333.218 2.6162 345.268 4.5983 -12.04987      5.290421 
1 1 1 4  7  13 o 802.290 5.5887 6447.21  60.816  803.765 6.4932 800.816 9.0980 2.948853       11.17743 
1 1 1 4  7  15 o 113.279 1.7117 127.830  2.5477  112.286 1.8509 114.271 2.8798 -1.984383      3.423317 
1 1 1 4  7  17 o 225.508 2.0058 502.385  5.9348  219.395 2.1841 231.622 3.3649 -12.22650      4.011590 
1 1 1 4  7  19 o 442.702 3.1683 1936.78  17.882  432.567 3.2432 452.837 5.4438 -20.27066      6.336681 
1 1 1 4  7  21 o 255.657 1.7270 657.165  6.1121  261.589 2.1187 249.726 2.7280 11.86288       3.454083 
1 1 1 4  7  23 o 64.979  1.3819 42.636   1.2083  63.200  2.2837 66.757  1.5567 -3.556892      2.763783 
1 1 1 4  7  25 o 155.529 1.4718 242.090  3.2289  156.736 1.9890 154.321 2.1698 2.415070       2.943527 
1 1 1 4  7  27 o 72.308  1.4018 52.470   1.3856  71.507  2.2606 73.110  1.6583 -1.602226      2.803630 
1 1 1 4  7  29 f 84.519  1.7247 72.676   1.9211  81.096  2.9188 87.942  1.8381 -6.846451      3.449380 
1 1 1 4  7  31 o 145.878 1.4273 212.892  2.9432  146.312 2.0518 145.445 1.9847 0.8677063      2.854642 
1 1 1 4  7  33 o 209.044 1.6898 437.456  4.9923  207.992 2.4426 210.097 2.3357 -2.105072      3.379627 
1 1 1 4  7  35 o 120.055 1.5395 144.267  2.5659  120.067 2.4042 120.044 1.9237 0.2246094E-01  3.079075 
1 1 1 4  7  37 o 36.622  3.5714 12.520   1.7160  43.320  5.5974 29.925  4.4372 13.39441       7.142784 
1 1 1 4  7  39 o 90.597  1.9434 82.208   2.4610  91.274  2.9728 89.921  2.5039 1.352516       3.886824 
1 1 1 4  7  41 o 37.579  4.2655 14.508   1.9801  37.819  7.4397 37.338  4.1748 0.4815369      8.530994 
1 1 1 4  7  43 o 54.449  3.0602 29.049   2.2530  59.796  4.8275 49.103  3.7624 10.69310       6.120452 
1 1 1 4  7  45 o 18.957  5.5667 1.4351   2.2873  22.418  8.9312 15.495  6.6474 6.923087       11.13347 
1 1 1 4  7  47 o 19.279  5.7054 1.8020   2.3975  22.869  9.2066 15.689  6.7412 7.180290       11.41077 
1 1 1 4  7  49 o 30.710  5.9087 10.679   2.4370  38.677  9.3453 22.744  7.2330 15.93341       11.81737 
1 1 1 4  7  51 o 19.028  6.1549 1.5511   3.2184  20.197  9.8558 17.859  7.3754 2.337053       12.30987 
1 1 1 4  8  0  o 213.004 2.3587 453.891  10.045  213.004 2.3587 ?       ?      0.000000       0.000000 
1 1 1 4  8  2  o 515.748 3.2255 2660.63  23.525  512.631 4.5611 518.864 4.5619 -6.233154      6.450953 
1 1 1 4  8  4  o 358.753 2.3555 1287.25  11.950  358.970 3.3452 358.536 3.3171 0.4338989      4.710976 
1 1 1 4  8  6  o 270.161 1.8888 729.929  7.2161  269.285 2.6585 271.037 2.6839 -1.751770      3.777634 
1 1 1 4  8  8  o 167.441 1.3648 279.793  3.2237  163.062 1.8765 171.819 1.9824 -8.756210      2.729689 
1 1 1 4  8  10 o 605.429 3.5366 3667.70  30.279  604.349 4.9770 606.508 5.0259 -2.159424      7.073227 
1 1 1 4  8  12 o 581.555 4.1905 3393.76  31.428  585.015 4.3224 578.095 7.1804 6.920105       8.381008 
1 1 1 4  8  14 o 741.401 5.1690 5502.14  51.844  742.281 5.9655 740.520 8.4433 1.761292       10.33807 
1 1 1 4  8  16 o 450.892 3.3805 2038.37  20.809  454.387 3.9895 447.397 5.4584 6.989868       6.760970 
1 1 1 4  8  18 o 483.836 3.7325 2302.06  23.524  466.387 4.0230 501.285 6.2882 -34.89777      7.465015 
1 1 1 4  8  20 o 278.659 2.4855 773.661  9.6061  273.904 3.1195 283.414 3.8704 -9.510345      4.970997 
1 1 1 4  8  22 o 272.604 1.8924 747.262  7.1385  278.880 2.3186 266.329 2.9914 12.55121       3.784767 
1 1 1 4  8  24 o 394.539 2.5624 1549.76  13.788  388.320 3.0478 400.757 4.1201 -12.43695      5.124823 
1 1 1 4  8  26 o 243.183 1.8401 588.068  6.0616  238.916 2.1506 247.449 2.9864 -8.533859      3.680153 
1 1 1 4  8  28 o 107.862 1.3939 116.110  2.0594  107.011 1.6724 108.714 2.2304 -1.702370      2.787791 
1 1 1 4  8  30 o 171.121 1.6884 293.755  4.0601  174.602 2.2154 167.640 2.5484 6.962662       3.376733 
1 1 1 4  8  32 o 96.387  1.4897 92.454   1.9794  98.384  2.3472 94.389  1.8349 3.994743       2.979329 
1 1 1 4  8  34 o 102.138 1.7253 105.441  2.3368  99.688  2.8957 104.589 1.8768 -4.901627      3.450668 
1 1 1 4  8  36 o 100.714 1.7506 101.906  2.4771  98.155  2.6468 103.272 2.2920 -5.117317      3.501265 
1 1 1 4  8  38 o 70.219  2.2994 49.320   2.0874  70.616  3.9242 69.823  2.3978 0.7934647      4.598845 
1 1 1 4  8  40 o 26.449  5.0131 6.9089   1.7785  31.136  7.9456 21.763  6.1149 9.372850       10.02620 
1 1 1 4  8  42 f 12.235  4.1783 -5.4525  1.9757  13.766  6.5814 10.705  5.1496 3.060939       8.356607 
1 1 1 4  8  44 o 16.349  5.1723 -1.2809  2.2892  17.626  8.0426 15.073  6.5060 2.553342       10.34462 
1 1 1 4  8  46 o 18.994  5.1409 2.3603   1.9884  17.660  7.9458 20.328  6.5253 -2.667753      10.28180 
1 1 1 4  8  48 o 32.437  5.3255 12.803   2.2740  28.955  9.4138 35.920  4.9824 -6.965467      10.65098 
1 1 1 4  8  50 o 26.107  6.5195 8.7207   3.0468  23.865  10.707 28.348  7.4409 -4.483418      13.03897 
1 1 1 4  9  1  o 509.002 3.1591 2588.01  22.709  522.021 4.5343 495.982 4.3999 26.03931       6.318193 
1 1 1 4  9  3  o 554.919 3.4021 3077.81  26.663  563.333 4.9192 546.506 4.7009 16.82623       6.804215 
1 1 1 4  9  5  o 431.764 2.7516 1864.90  16.799  430.339 3.9308 433.189 3.8516 -2.849915      5.503226 
1 1 1 4  9  7  o 484.400 3.0129 2347.12  20.632  481.884 4.2052 486.917 4.3158 -5.033447      6.025774 
1 1 1 4  9  9  o 364.185 2.3764 1326.56  12.238  366.966 3.3667 361.404 3.3546 5.562347       4.752723 
1 1 1 4  9  11 o 536.389 3.2953 2891.52  24.459  547.156 4.0412 525.623 5.2062 21.53271       6.590583 
1 1 1 4  9  13 o 670.035 4.7997 4446.80  40.369  658.183 4.7541 681.886 8.3396 -23.70313      9.599481 
1 1 1 4  9  15 o 275.940 2.4530 755.570  8.2350  272.510 2.2880 279.369 4.3397 -6.858887      4.905913 
1 1 1 4  9  17 o 489.580 3.8079 2399.47  24.889  490.438 4.2495 488.721 6.3199 1.716949       7.615764 
1 1 1 4  9  19 o 244.696 2.2023 605.179  7.1705  251.252 2.4127 238.139 3.6849 13.11295       4.404521 
1 1 1 4  9  21 o 174.955 1.8928 299.933  4.2221  168.217 1.9562 181.693 3.2410 -13.47546      3.785642 
1 1 1 4  9  23 o 159.904 1.4315 256.531  3.0703  161.245 1.6112 158.563 2.3666 2.681198       2.863011 
1 1 1 4  9  25 o 130.383 1.3442 169.101  2.3772  128.263 1.5754 132.504 2.1785 -4.241379      2.688444 
1 1 1 4  9  27 o 98.590  1.4842 98.524   1.9794  102.606 1.6880 94.574  2.4418 8.031883       2.968430 
1 1 1 4  9  29 o 38.549  2.8519 16.028   1.2677  42.834  2.2913 34.264  5.2233 8.570126       5.703711 
1 1 1 4  9  31 o 176.800 1.8191 316.554  4.2579  181.925 1.9675 171.676 3.0602 10.24887       3.638132 
1 1 1 4  9  33 o 93.141  1.7602 88.002   2.1790  96.319  1.9180 89.963  2.9520 6.356224       3.520363 
1 1 1 4  9  35 o 62.219  2.3915 39.791   1.9612  66.098  2.5330 58.339  4.0573 7.758801       4.783075 
1 1 1 4  9  37 o 69.946  2.1288 48.748   2.0879  67.116  2.8386 72.777  3.1731 -5.661110      4.257515 
1 1 1 4  9  39 o 73.974  2.0127 54.582   2.0879  70.918  2.6864 77.031  2.9979 -6.113228      4.025441 
1 1 1 4  9  41 o 27.655  5.6229 8.1196   2.2779  27.848  7.0407 27.462  8.7691 0.3865566      11.24579 
1 1 1 4  9  43 o 38.702  4.6036 15.306   2.4167  33.226  6.4867 44.177  6.5341 -10.95176      9.207169 
1 1 1 4  9  45 o 33.093  5.1629 12.393   2.4028  39.258  5.5883 26.928  8.6830 12.32931       10.32585 
1 1 1 4  9  47 o 49.626  3.6630 26.382   2.5084  54.720  4.4312 44.532  5.8339 10.18853       7.326006 
1 1 1 4  9  49 o 17.687  5.4081 1.3086   2.5110  19.168  7.9869 16.207  7.2937 2.961172       10.81613 
1 1 1 4  9  51 o 16.379  5.2247 0.1868   2.5532  16.726  7.5998 16.033  7.1718 0.6926289      10.44950 
1 1 1 4  10 0  o 279.513 2.7890 781.580  15.588  279.513 2.7890 ?       ?      0.000000       0.000000 
1 1 1 4  10 2  o 492.708 3.1069 2426.97  21.634  505.140 4.4002 480.276 4.3875 24.86417       6.213846 
1 1 1 4  10 4  o 431.950 2.7178 1866.80  16.598  425.729 3.8920 438.172 3.7946 -12.44269      5.435654 
1 1 1 4  10 6  o 291.287 1.9060 848.228  7.8448  288.405 2.6423 294.169 2.7476 -5.764343      3.811978 
1 1 1 4  10 8  o 49.283  1.4078 24.234   0.9781  50.513  2.0573 48.053  1.9223 2.459553       2.815579 
1 1 1 4  10 10 o 435.072 2.6648 1893.27  16.396  436.333 3.7577 433.811 3.7795 2.521240       5.329624 
1 1 1 4  10 12 o 459.243 2.9113 2112.79  18.533  462.445 3.6079 456.040 4.5701 6.404968       5.822591 
1 1 1 4  10 14 o 675.451 4.0813 4571.58  37.933  679.531 4.9361 671.372 6.5010 8.158630       8.162581 
1 1 1 4  10 16 o 421.388 3.2554 1764.60  17.227  416.498 3.2158 426.279 5.6611 -9.780579      6.510738 
1 1 1 4  10 18 o 72.880  1.9988 51.348   1.9027  67.616  2.2200 78.145  3.3245 -10.52883      3.997596 
1 1 1 4  10 20 o 347.860 2.8808 1206.69  13.128  345.382 3.0924 350.339 4.8613 -4.956787      5.761509 
1 1 1 4  10 22 o 441.240 3.5375 1948.26  20.695  440.993 3.8882 441.486 5.9107 -0.4923096     7.074913 
1 1 1 4  10 24 f 281.850 3.5370 788.621  11.905  278.311 3.1945 285.388 6.3116 -7.077179      7.073965 
1 1 1 4  10 26 o 150.067 1.5001 227.858  2.9697  154.174 1.6102 145.960 2.5314 8.213150       3.000130 
1 1 1 4  10 28 o 175.559 1.6448 306.185  3.8128  172.669 1.8055 178.449 2.7499 -5.779251      3.289690 
1 1 1 4  10 30 o 132.003 1.5522 175.926  2.8341  137.367 1.8912 126.638 2.4618 10.72966       3.104378 
1 1 1 4  10 32 o 181.035 2.1411 332.851  4.7623  185.375 1.9932 176.694 3.7901 8.681213       4.282277 
1 1 1 4  10 34 o 69.238  2.6363 48.194   2.1155  69.516  2.2423 68.960  4.7719 0.5553741      5.272520 
1 1 1 4  10 36 o 127.548 1.7149 162.380  2.9716  126.203 2.0128 128.893 2.7770 -2.689987      3.429760 
1 1 1 4  10 38 o 58.651  2.7549 34.968   2.2382  61.680  3.3696 55.622  4.3593 6.058071       5.509793 
1 1 1 4  10 40 o 34.672  4.3988 12.611   2.0527  36.153  5.1101 33.192  7.1613 2.960857       8.797532 
1 1 1 4  10 42 o 66.944  2.5374 45.087   2.3677  65.806  3.2461 68.081  3.9007 -2.275574      5.074710 
1 1 1 4  10 44 o 22.131  5.5415 3.5052   2.4028  15.769  6.9882 28.493  8.6022 -12.72336      11.08297 
1 1 1 4  10 46 o 40.708  4.7147 18.854   2.5031  48.033  4.9279 33.384  8.0392 14.64930       9.429393 
1 1 1 4  10 48 o 29.196  6.2234 10.589   2.7535  24.248  8.2027 34.145  9.3616 -9.897455      12.44690 
1 1 1 4  10 50 o 18.956  5.7118 1.4150   3.0903  22.155  8.5075 15.757  7.6237 6.398113       11.42359 
1 1 1 4  11 1  o 143.575 1.2655 206.137  2.5688  146.148 1.7776 141.001 1.8016 5.146683       2.530917 
1 1 1 4  11 3  f 289.486 2.0358 828.597  8.1904  274.228 2.6316 304.745 3.1069 -30.51678      4.071615 
1 1 1 4  11 5  o 285.022 1.9981 812.427  8.0511  285.973 2.8667 284.071 2.7843 1.902222       3.996269 
1 1 1 4  11 7  o 16.111  3.9783 2.2649   1.1250  15.200  5.6680 17.023  5.5840 -1.822876      7.956551 
1 1 1 4  11 9  o 443.687 2.7696 1968.16  17.362  447.152 4.0024 440.222 3.8294 6.930389       5.539296 
1 1 1 4  11 11 o 635.576 4.0143 4037.00  35.666  632.036 5.1700 639.116 6.1425 -7.080078      8.028700 
1 1 1 4  11 13 o 592.372 3.6027 3508.65  29.412  591.384 4.3930 593.359 5.7114 -1.975098      7.205419 
1 1 1 4  11 15 o 299.553 2.4815 899.566  9.6703  301.049 2.6081 298.057 4.2226 2.992188       4.963076 
1 1 1 4  11 17 o 174.017 1.9582 300.225  4.0405  171.787 1.7476 176.247 3.5049 -4.460175      3.916449 
1 1 1 4  11 19 o 325.105 2.5040 1037.32  9.6292  316.157 2.2461 334.054 4.4761 -17.89716      5.008037 
1 1 1 4  11 21 o 121.242 1.8918 147.819  3.1602  123.770 2.2856 118.715 3.0151 5.055244       3.783513 
1 1 1 4  11 23 o 297.849 2.6951 893.795  10.609  302.699 2.9181 292.999 4.5319 9.699799       5.390118 
1 1 1 4  11 25 o 50.316  3.1564 24.135   2.0724  45.059  3.5875 55.574  5.1942 -10.51493      6.312714 
1 1 1 4  11 27 o 31.835  4.6059 11.510   1.0411  34.979  1.8155 28.691  9.0312 6.287815       9.211874 
1 1 1 4  11 29 o 45.670  2.2518 22.111   1.2375  50.044  1.9612 41.296  4.0542 8.747746       4.503676 
1 1 1 4  11 31 o 231.520 1.9255 535.896  6.1670  230.292 2.3816 232.747 3.0262 -2.455780      3.850923 
1 1 1 4  11 33 o 64.151  2.0813 41.910   1.7411  66.557  2.1685 61.745  3.5530 4.811131       4.162511 
1 1 1 4  11 35 o 120.687 1.6623 146.077  2.7331  121.219 1.9527 120.156 2.6907 1.062836       3.324571 
1 1 1 4  11 37 o 43.171  3.7088 18.760   2.0419  43.008  3.7586 43.335  6.3948 -0.3265800     7.417543 
1 1 1 4  11 39 o 54.865  2.8691 29.785   2.1383  51.699  3.4618 58.030  4.5764 -6.331646      5.738221 
1 1 1 4  11 41 o 36.189  4.3053 13.394   2.1338  32.060  6.1624 40.319  6.0139 -8.258976      8.610588 
1 1 1 4  11 43 o 19.141  5.4593 2.1047   2.2508  18.632  7.3572 19.650  8.0676 -1.018808      10.91859 
1 1 1 4  11 45 o 24.303  6.0320 5.1497   2.6326  17.224  7.3115 31.381  9.5960 -14.15718      12.06404 
1 1 1 4  11 47 o 31.438  5.6316 12.020   2.4712  29.520  7.4314 33.357  8.4637 -3.836975      11.26318 
1 1 1 4  11 49 f 50.387  4.2331 28.816   2.9662  43.775  6.4623 56.999  5.4695 -13.22395      8.466237 
1 1 1 4  12 0  o 133.528 1.7301 178.393  4.6186  133.528 1.7301 ?       ?      0.000000       0.000000 
1 1 1 4  12 2  o 508.780 3.1644 2584.44  22.714  496.341 4.3502 521.219 4.5967 -24.87717      6.328826 
1 1 1 4  12 4  o 237.510 1.7274 564.163  5.8020  237.631 2.4295 237.388 2.4563 0.2432861      3.454828 
1 1 1 4  12 6  o 481.550 2.9498 2318.16  20.077  488.585 4.2184 474.515 4.1245 14.06937       5.899673 
1 1 1 4  12 8  o 1038.92 5.8551 10800.64 85.993  1035.33 8.1580 1042.52 8.4008 -7.189697      11.71012 
1 1 1 4  12 10 o 492.141 2.9986 2422.54  20.870  493.584 4.2341 490.699 4.2473 2.885559       5.997286 
1 1 1 4  12 12 o 468.401 3.0084 2181.50  19.235  459.471 3.5936 477.330 4.8258 -17.85953      6.016851 
1 1 1 4  12 14 o 440.533 2.8268 1940.19  17.151  439.696 3.4401 441.371 4.4865 -1.674530      5.653579 
1 1 1 4  12 16 o 453.464 2.8177 2048.46  17.579  446.580 3.4388 460.347 4.4646 -13.76630      5.635404 
1 1 1 4  12 18 o 488.501 2.9823 2397.76  20.384  502.054 3.8177 474.948 4.5826 27.10657       5.964527 
1 1 1 4  12 20 o 163.954 1.5525 274.451  3.1557  169.859 1.4615 158.048 2.7396 11.81133       3.105080 
1 1 1 4  12 22 o 360.220 3.1575 1294.77  14.834  357.819 3.3560 362.622 5.3494 -4.803589      6.314941 
1 1 1 4  12 24 o 231.331 2.2592 535.251  7.0319  231.036 2.5738 231.626 3.7138 -0.5901337     4.518495 
1 1 1 4  12 26 o 27.418  5.6431 7.5362   2.1966  27.014  6.4840 27.821  9.2378 -0.8071232     11.28623 
1 1 1 4  12 28 o 95.043  2.3496 90.332   3.1144  94.358  2.9980 95.728  3.6185 -1.369682      4.699146 
1 1 1 4  12 30 o 91.934  2.5505 84.329   3.1267  90.996  2.8550 92.873  4.2271 -1.876457      5.100913 
1 1 1 4  12 32 o 81.894  1.6534 65.587   1.7160  78.428  1.6931 85.361  2.8406 -6.932411      3.306886 
1 1 1 4  12 34 o 50.479  2.3504 24.538   1.5468  46.175  2.6256 54.783  3.8992 -8.608673      4.700800 
1 1 1 4  12 36 o 131.436 1.6674 172.188  2.9509  129.676 1.9144 133.195 2.7307 -3.519470      3.334881 
1 1 1 4  12 38 o 36.271  4.6340 14.985   1.9328  42.035  3.5709 30.508  8.5525 11.52764       9.268024 
1 1 1 4  12 40 o 53.920  3.1826 28.631   2.2119  51.006  3.3956 56.834  5.3838 -5.827774      6.365176 
1 1 1 4  12 42 o 28.950  5.4424 9.1679   2.2169  30.230  6.3166 27.671  8.8645 2.559124       10.88480 
1 1 1 4  12 44 o 18.928  5.3219 0.8083   2.4367  22.138  7.6767 15.719  7.3728 6.419163       10.64375 
1 1 1 4  12 46 o 18.327  5.5059 0.7313   2.4155  14.018  6.4037 22.635  8.9584 -8.617811      11.01180 
1 1 1 4  12 48 o 20.517  5.9756 3.8698   2.8551  18.859  8.2435 22.175  8.6530 -3.315428      11.95113 
1 1 1 4  13 1  o 80.321  1.2515 64.707   1.4091  81.975  1.6198 78.668  1.9081 3.306702       2.502912 
1 1 1 4  13 3  o 329.889 2.1821 1080.91  10.090  315.139 2.9128 344.638 3.2498 -29.49863      4.364142 
1 1 1 4  13 5  o 149.694 1.7716 219.353  3.4342  156.190 2.9940 143.198 1.8949 12.99165       3.543239 
1 1 1 4  13 7  o 465.739 2.8312 2168.97  18.639  462.413 3.9453 469.066 4.0616 -6.652863      5.662319 
1 1 1 4  13 9  o 656.998 3.8305 4317.13  35.582  651.181 5.3727 662.816 5.4613 -11.63470      7.661004 
1 1 1 4  13 11 o 1055.37 6.4672 11154.41 95.991  1058.09 8.5664 1052.65 9.6911 5.440430       12.93444 
1 1 1 4  13 13 o 412.505 2.7297 1686.61  15.333  400.914 3.2544 424.096 4.3834 -23.18192      5.459444 
1 1 1 4  13 15 f 517.207 3.1745 2664.10  22.461  509.387 3.8081 525.027 5.0802 -15.63965      6.349019 
1 1 1 4  13 17 o 98.846  1.3713 98.180   1.9034  103.285 1.7887 94.407  2.0792 8.878426       2.742691 
1 1 1 4  13 19 f 598.938 4.1727 3601.77  32.882  602.779 4.4919 595.097 7.0335 7.681885       8.345484 
1 1 1 4  13 21 o 437.611 3.5574 1875.07  17.627  425.022 2.9748 450.200 6.4631 -25.17871      7.114871 
1 1 1 4  13 23 o 388.941 3.0885 1491.84  14.713  379.521 2.9359 398.361 5.4347 -18.83957      6.176984 
1 1 1 4  13 25 o 241.640 2.5852 584.640  8.8327  243.004 3.6112 240.276 3.7002 2.727356       5.170334 
1 1 1 4  13 27 o 211.936 2.2072 451.363  6.2997  214.120 2.5075 209.751 3.6332 4.368500       4.414491 
1 1 1 4  13 29 o 182.589 2.2335 332.449  5.3019  180.977 2.3606 184.202 3.7924 -3.224640      4.467058 
1 1 1 4  13 31 o 85.720  2.4046 73.577   2.9129  83.975  3.3687 87.466  3.4323 -3.491379      4.809250 
1 1 1 4  13 33 o 39.579  5.6186 16.037   3.0791  31.427  8.5796 47.731  7.2572 -16.30416      11.23726 
1 1 1 4  13 35 o 112.077 2.2277 121.621  2.4891  108.061 1.5493 116.093 4.1772 -8.032776      4.455321 
1 1 1 4  13 37 o 44.720  3.3663 20.088   1.7831  44.475  2.9856 44.965  6.0345 -0.4904671     6.732693 
1 1 1 4  13 39 o 82.905  2.1676 69.658   2.2268  84.082  2.0598 81.728  3.8145 2.354721       4.335174 
1 1 1 4  13 41 o 24.241  4.6509 5.8080   1.9328  30.478  4.9249 18.003  7.8911 12.47521       9.301849 
1 1 1 4  13 43 o 48.046  3.8266 23.728   2.3815  47.298  4.0280 48.794  6.5075 -1.495564      7.653256 
1 1 1 4  13 45 o 36.742  4.7607 14.734   2.3176  36.018  5.4498 37.466  7.8074 -1.448074      9.521330 
1 1 1 4  13 47 o 38.956  5.1342 17.810   2.7603  34.882  7.6563 43.029  6.8427 -8.146580      10.26846 
1 1 1 4  13 49 o 20.750  6.6471 3.8471   3.8920  19.866  8.3611 21.634  10.336 -1.768148      13.29414 
1 1 1 4  14 0  o 491.021 4.3040 2411.82  42.260  491.021 4.3040 ?       ?      0.000000       0.000000 
1 1 1 4  14 2  o 257.201 1.7785 661.468  6.4640  265.057 2.4830 249.345 2.5469 15.71179       3.556988 
1 1 1 4  14 4  o 227.226 1.7252 516.253  5.5369  227.962 2.5072 226.489 2.3706 1.472626       3.450471 
1 1 1 4  14 6  o 219.565 1.6735 482.133  5.1953  219.341 2.3952 219.788 2.3378 -0.4473419     3.346963 
1 1 1 4  14 8  o 50.441  1.9496 25.510   1.3832  49.239  2.9312 51.643  2.5712 -2.403999      3.899127 
1 1 1 4  14 10 f 204.636 1.5761 418.777  4.5601  204.889 2.2542 204.382 2.2033 0.5074158      3.152112 
1 1 1 4  14 12 o 448.545 2.8513 1996.85  17.332  438.280 3.3458 458.809 4.6180 -20.52841      5.702651 
1 1 1 4  14 14 o 627.114 3.8078 3929.31  32.984  623.275 4.6869 630.952 6.0024 -7.676880      7.615541 
1 1 1 4  14 16 o 490.009 3.1794 2401.11  21.807  488.000 4.1170 492.017 4.8461 -4.017853      6.358755 
1 1 1 4  14 18 o 78.671  1.4820 61.543   1.6206  76.582  1.8847 80.761  2.2875 -4.179466      2.963906 
1 1 1 4  14 20 o 232.445 1.7510 540.732  5.7268  233.393 2.3252 231.497 2.6186 1.895798       3.501907 
1 1 1 4  14 22 o 315.894 2.7422 999.570  11.360  316.412 2.9376 315.376 4.6314 1.036102       5.484447 
1 1 1 4  14 24 o 167.180 1.8791 282.516  3.5608  169.475 1.5329 164.885 3.4313 4.589355       3.758182 
1 1 1 4  14 26 o 279.333 2.6753 781.993  9.9576  279.651 2.9728 279.015 4.4487 0.6361694      5.350529 
1 1 1 4  14 28 o 139.352 2.8164 193.551  4.4101  138.432 2.2938 140.273 5.1446 -1.841644      5.632808 
1 1 1 4  14 30 o 124.214 2.0900 149.288  3.3402  115.879 2.2419 132.549 3.5280 -16.66981      4.180075 
1 1 1 4  14 32 o 65.846  4.6922 44.551   4.2441  61.099  7.5592 70.594  5.5611 -9.495670      9.384428 
1 1 1 4  14 34 o 52.413  4.3092 26.843   3.0416  47.634  5.2116 57.192  6.8643 -9.557442      8.618492 
1 1 1 4  14 36 o 28.202  7.0491 7.2547   3.5561  29.775  9.6717 26.630  10.258 3.144800       14.09824 
1 1 1 4  14 38 o 50.734  4.6300 26.332   3.3073  47.175  6.6085 54.293  6.4865 -7.117638      9.259936 
1 1 1 4  14 40 o 17.847  5.8592 -6.8160  3.6867  19.625  8.7641 16.068  7.7789 3.557632       11.71839 
1 1 1 4  14 42 o 42.048  6.7885 20.386   3.9802  37.124  10.546 46.972  8.5513 -9.848026      13.57692 
1 1 1 4  14 44 o 28.205  6.3221 7.8446   2.1577  22.616  6.1995 33.793  11.020 -11.17679      12.64416 
1 1 1 4  14 46 o 18.000  5.5955 0.9894   2.3455  16.499  6.5597 19.501  9.0668 -3.002033      11.19094 
1 1 1 4  14 48 o 22.474  6.8947 4.1710   4.3374  20.304  9.5782 24.645  9.9199 -4.340593      13.78935 
1 1 1 4  15 1  o 338.026 2.2592 1143.02  10.793  339.966 3.1247 336.087 3.2638 3.878448       4.518374 
1 1 1 4  15 3  o 451.418 2.8074 2036.00  17.901  460.527 4.0366 442.309 3.9027 18.21732       5.614753 
1 1 1 4  15 5  o 436.960 2.7370 1908.52  16.903  444.456 3.9098 429.465 3.8312 14.99088       5.474021 
1 1 1 4  15 7  o 214.693 1.6067 460.244  4.8645  218.470 2.3519 210.915 2.1898 7.554489       3.213494 
1 1 1 4  15 9  o 176.078 1.5533 310.009  3.8672  177.438 2.2125 174.717 2.1809 2.720947       3.106640 
1 1 1 4  15 11 o 481.578 3.2446 2319.93  21.959  480.976 4.2851 482.180 4.8731 -1.203857      6.489168 
1 1 1 4  15 13 o 632.068 3.9552 3995.40  34.197  630.607 4.7148 633.528 6.3516 -2.920654      7.910314 
1 1 1 4  15 15 f 145.107 1.6264 212.321  3.2543  149.964 1.9634 140.250 2.5933 9.713837       3.252713 
1 1 1 4  15 17 o 76.008  1.7463 57.803   1.8759  76.578  2.4125 75.438  2.5255 1.139946       3.492591 
1 1 1 4  15 19 o 96.843  1.5209 93.685   2.0639  96.040  1.9837 97.645  2.3059 -1.605560      3.041730 
1 1 1 4  15 21 o 149.149 1.4683 220.150  3.0107  143.466 1.8108 154.832 2.3118 -11.36560      2.936597 
1 1 1 4  15 23 o 233.046 2.1491 544.436  6.4621  233.870 2.2217 232.223 3.6794 1.646927       4.298125 
1 1 1 4  15 25 o 215.841 1.8999 471.168  5.1358  219.904 1.8377 211.778 3.3258 8.126663       3.799779 
1 1 1 4  15 27 o 79.734  2.6842 62.629   2.7689  76.991  2.8495 82.477  4.5498 -5.486816      5.368484 
1 1 1 4  15 29 o 237.433 2.4111 566.399  7.6652  239.208 2.7031 235.657 3.9932 3.551285       4.822103 
1 1 1 4  15 31 o 74.613  3.3300 55.401   3.1234  73.332  3.3065 75.895  5.7812 -2.562630      6.660038 
1 1 1 4  15 33 o 79.815  3.1667 64.583   3.3013  81.354  3.3353 78.277  5.3840 3.076950       6.333421 
1 1 1 4  15 35 o 33.444  6.4541 11.847   3.0483  33.773  7.6912 33.115  10.367 0.6575317      12.90814 
1 1 1 4  15 37 o 44.807  5.7714 20.975   3.3617  44.186  6.2715 45.427  9.6905 -1.241051      11.54283 
1 1 1 4  15 39 o 68.463  3.7271 48.520   3.4876  73.051  4.3467 63.875  6.0557 9.176380       7.454186 
1 1 1 4  15 41 o 30.792  6.5810 6.7068   4.0116  17.772  8.3223 43.811  10.197 -26.03875      13.16194 
1 1 1 4  15 43 o 32.473  7.3467 12.406   3.9046  27.266  10.081 37.681  10.690 -10.41521      14.69332 
1 1 1 4  15 45 o 28.436  7.2069 10.791   3.6723  28.477  9.8322 28.396  10.540 0.8126450E-01  14.41387 
1 1 1 4  15 47 o 25.414  7.1771 8.2799   4.0699  21.649  9.5531 29.179  10.714 -7.530560      14.35421 
1 1 1 4  16 0  o 621.001 5.3372 3858.13  66.277  621.001 5.3372 ?       ?      0.000000       0.000000 
1 1 1 4  16 2  o 496.807 3.1512 2468.75  22.138  492.352 4.4558 501.263 4.4572 -8.910156      6.302466 
1 1 1 4  16 4  o 641.760 3.8962 4120.57  35.358  642.891 5.5497 640.630 5.4702 2.260986       7.792428 
1 1 1 4  16 6  o 365.730 2.3490 1336.05  12.133  356.980 3.2668 374.480 3.3762 -17.49979      4.698000 
1 1 1 4  16 8  f 45.772  2.5510 20.952   1.6327  45.834  3.9048 45.710  3.2838 0.1237297      5.102056 
1 1 1 4  16 10 o 259.877 1.7987 675.476  6.6102  259.521 2.5583 260.233 2.5291 -0.7112122     3.597344 
1 1 1 4  16 12 o 287.037 2.1119 825.005  8.5054  289.155 2.7553 284.920 3.2015 4.234924       4.223887 
1 1 1 4  16 14 o 267.130 2.4579 710.115  9.0463  261.820 3.0209 272.439 3.8779 -10.61884      4.915706 
1 1 1 4  16 16 o 171.606 1.6428 294.723  3.9835  175.660 2.2678 167.552 2.3775 8.107819       3.285597 
1 1 1 4  16 18 o 59.651  2.1260 35.868   1.7225  61.059  2.4583 58.243  3.4693 2.815617       4.251991 
1 1 1 4  16 20 o 262.141 2.0032 687.227  7.2222  261.656 2.4271 262.627 3.1875 -0.9710693     4.006330 
1 1 1 4  16 22 o 271.807 2.0933 738.779  7.8824  270.908 2.5999 272.706 3.2814 -1.797791      4.186516 
1 1 1 4  16 24 f 135.409 1.9542 177.198  3.0981  128.785 1.7483 142.033 3.4956 -13.24867      3.908464 
1 1 1 4  16 26 o 37.065  4.9434 13.341   1.2476  35.949  2.0877 38.180  9.6640 -2.230778      9.886897 
1 1 1 4  16 28 o 203.376 2.1039 411.935  5.2321  201.620 1.9758 205.132 3.7150 -3.511505      4.207715 
1 1 1 4  16 30 o 168.615 2.0766 285.096  4.8251  169.088 2.5266 168.142 3.2962 0.9459686      4.153152 
1 1 1 4  16 32 o 155.552 2.3781 242.218  5.1035  154.300 2.9184 156.803 3.7555 -2.502899      4.756118 
1 1 1 4  16 34 o 48.739  5.6148 25.385   3.1662  51.539  4.7047 45.940  10.197 5.599583       11.22962 
1 1 1 4  16 36 o 33.773  6.9627 12.011   3.3532  32.077  8.3710 35.468  11.128 -3.390919      13.92538 
1 1 1 4  16 38 o 51.158  4.6532 26.355   3.2883  47.041  6.0137 55.275  7.1023 -8.234478      9.306299 
1 1 1 4  16 40 o 24.060  6.9730 3.2383   3.5785  20.141  8.5060 27.978  11.052 -7.837479      13.94601 
1 1 1 4  16 42 o 37.799  7.5333 16.990   4.0595  36.224  9.3445 39.374  11.819 -3.150425      15.06651 
1 1 1 4  16 44 f 20.981  6.6479 0.2195   4.0355  19.799  8.9051 22.162  9.8732 -2.363018      13.29589 
1 1 1 4  16 46 o 23.589  7.1165 6.0814   4.1519  21.246  9.3315 25.933  10.747 -4.686565      14.23304 
1 1 1 4  17 1  o 459.053 2.9221 2108.52  18.963  455.888 4.2043 462.218 4.0593 -6.329681      5.844206 
1 1 1 4  17 3  o 457.723 2.8218 2091.91  18.228  445.592 3.8999 469.855 4.0794 -24.26321      5.643593 
1 1 1 4  17 5  o 187.684 1.5643 350.041  4.1279  176.458 2.1593 198.909 2.2639 -22.45148      3.128585 
1 1 1 4  17 7  f 273.833 1.8411 748.410  7.1036  268.185 2.4971 279.480 2.7061 -11.29498      3.682184 
1 1 1 4  17 9  o 358.798 2.3320 1286.30  11.817  351.683 3.2340 365.913 3.3606 -14.23074      4.663933 
1 1 1 4  17 11 o 243.979 1.8676 592.453  6.2751  239.481 2.2902 248.477 2.9508 -8.996658      3.735240 
1 1 1 4  17 13 o 280.812 2.3413 786.801  9.2433  274.952 3.1286 286.672 3.4840 -11.72025      4.682558 
1 1 1 4  17 15 f 370.973 2.6066 1377.08  13.262  370.946 3.1283 371.000 4.1704 -0.5404663E-01 5.213292 
1 1 1 4  17 17 o 167.597 2.0626 277.205  4.1175  164.215 1.8633 170.979 3.6805 -6.763489      4.125257 
1 1 1 4  17 19 o 263.802 2.0117 695.698  7.3181  262.861 2.4599 264.744 3.1838 -1.882568      4.023369 
1 1 1 4  17 21 f 96.831  1.5597 94.589   2.0879  100.382 1.8979 93.279  2.4757 7.103249       3.119458 
1 1 1 4  17 23 o 71.108  1.7446 51.035   1.7320  77.684  2.2295 64.532  2.6839 13.15272       3.489129 
1 1 1 4  17 25 o 112.479 1.4542 126.447  2.2963  111.535 1.9152 113.424 2.1887 -1.888260      2.908307 
1 1 1 4  17 27 o 132.154 2.0079 171.472  2.8227  129.188 1.5194 135.120 3.7172 -5.932007      4.015768 
1 1 1 4  17 29 o 112.531 1.8711 130.125  2.2125  115.956 1.3443 109.105 3.4923 6.850647       3.742136 
1 1 1 4  17 31 o 45.021  5.4672 22.575   3.0699  53.214  4.9906 36.829  9.7291 16.38494       10.93445 
1 1 1 4  17 33 f 32.460  7.0943 9.5053   4.1612  39.362  8.5974 25.557  11.287 13.80519       14.18865 
1 1 1 4  17 35 o 43.271  4.7468 18.798   2.8512  38.760  6.4048 47.783  7.0076 -9.023434      9.493625 
1 1 1 4  17 37 f 66.459  4.1963 44.487   3.6190  64.691  4.4622 68.226  7.1080 -3.535164      8.392517 
1 1 1 4  17 39 o 62.127  4.1279 39.291   3.5629  57.416  5.4297 66.838  6.2191 -9.422291      8.255827 
1 1 1 4  17 41 o 43.702  6.4651 22.611   3.7440  50.655  6.2684 36.749  11.309 13.90618       12.93027 
1 1 1 4  17 43 o 32.717  7.7009 12.866   4.3484  25.044  10.075 40.391  11.649 -15.34691      15.40173 
1 1 1 4  17 45 o 27.627  7.2405 10.447   3.9208  30.181  9.8399 25.074  10.624 5.107002       14.48108 
1 1 1 4  17 47 o 22.364  7.3992 3.7711   5.9442  19.403  9.4386 25.326  11.398 -5.923014      14.79847 
1 1 1 4  18 0  o 1300.56 11.872 16949.63 308.752 1300.56 11.872 ?       ?      0.000000       0.000000 
1 1 1 4  18 2  o 636.607 3.7900 4055.54  34.117  628.784 5.3804 644.429 5.3394 -15.64447      7.580078 
1 1 1 4  18 4  o 500.416 3.1244 2505.53  22.111  498.347 4.4138 502.485 4.4234 -4.138733      6.248845 
1 1 1 4  18 6  o 383.629 2.5865 1473.83  13.963  386.950 3.4316 380.309 3.8710 6.640198       5.173025 
1 1 1 4  18 8  o 418.987 2.8515 1756.89  16.786  418.481 4.2905 419.494 3.7571 -1.012787      5.702985 
1 1 1 4  18 10 o 316.368 2.3701 999.075  10.528  311.334 3.1339 321.403 3.5566 -10.06879      4.740298 
1 1 1 4  18 12 f 193.948 1.7795 374.387  4.8290  188.313 2.3300 199.583 2.6902 -11.27007      3.558904 
1 1 1 4  18 14 o 176.534 1.5325 310.043  3.7395  172.747 1.9049 180.322 2.4012 -7.574615      3.065074 
1 1 1 4  18 16 o 173.235 1.9039 297.825  4.1920  170.624 1.9286 175.845 3.2831 -5.220871      3.807703 
1 1 1 4  18 18 o 150.118 1.5495 225.376  3.2044  149.953 1.8865 150.284 2.4586 -0.3306122     3.098972 
1 1 1 4  18 20 o 173.041 1.6228 300.945  3.8715  176.138 1.9666 169.944 2.5818 6.193848       3.245514 
1 1 1 4  18 22 o 136.528 1.6794 186.603  3.2165  136.894 2.1930 136.161 2.5440 0.7327576      3.358738 
1 1 1 4  18 24 o 81.448  1.7031 66.188   1.9561  78.121  2.3648 84.776  2.4516 -6.654495      3.406286 
1 1 1 4  18 26 o 152.518 1.5724 231.856  3.3218  149.885 1.9644 155.150 2.4559 -5.265350      3.144882 
1 1 1 4  18 28 o 170.348 2.2187 293.424  4.1783  172.366 1.7417 168.330 4.0814 4.036255       4.437450 
1 1 1 4  18 30 o 125.822 2.4211 165.074  2.7783  130.731 1.4132 120.913 4.6315 9.817635       4.842255 
1 1 1 4  18 32 o 88.926  3.0651 77.267   3.6028  82.843  3.4845 95.008  5.0435 -12.16576      6.130137 
1 1 1 4  18 34 o 30.119  6.9804 8.9558   3.2835  26.208  8.7824 34.030  10.852 -7.821899      13.96072 
1 1 1 4  18 36 o 107.979 2.7614 118.730  3.9396  110.421 2.9802 105.536 4.6498 4.884850       5.522873 
1 1 1 4  18 38 o 50.481  4.5308 26.367   3.2165  49.585  6.0544 51.376  6.7423 -1.791035      9.061653 
1 1 1 4  18 40 o 24.548  6.9511 3.2234   3.7045  18.466  8.2820 30.631  11.166 -12.16478      13.90211 
1 1 1 4  18 42 o 20.022  6.2589 -1.7057  3.7395  22.266  9.1688 17.779  8.5222 4.487129       12.51776 
1 1 1 4  18 44 f 23.107  6.9848 3.7545   4.2577  25.124  9.9400 21.090  9.8156 4.033630       13.96961 
1 1 1 4  18 46 o 27.240  8.6563 14.281   6.1071  20.852  9.6370 33.628  14.382 -12.77595      17.31257 
1 1 1 4  19 1  o 65.119  2.1604 42.797   1.9476  62.457  3.4201 67.781  2.6404 -5.323471      4.320744 
1 1 1 4  19 3  o 269.815 2.1487 727.100  8.1720  274.303 3.1570 265.327 2.9157 8.975800       4.297460 
1 1 1 4  19 5  o 673.358 4.0833 4540.04  38.879  673.590 5.8282 673.127 5.7207 0.4630737      8.166624 
1 1 1 4  19 7  o 176.411 1.5742 311.362  3.9249  175.069 2.2754 177.754 2.1761 -2.684616      3.148458 
1 1 1 4  19 9  o 233.686 1.6947 546.034  5.5947  235.265 2.4539 232.107 2.3381 3.158340       3.389451 
1 1 1 4  19 11 o 270.452 2.2795 733.132  8.6610  274.207 2.9897 266.697 3.4419 7.509491       4.559057 
1 1 1 4  19 13 o 140.198 1.5451 194.421  2.9901  134.151 1.9366 146.245 2.4081 -12.09367      3.090163 
1 1 1 4  19 15 o 24.396  5.7701 4.4669   1.9699  16.444  6.1936 32.347  9.7374 -15.90295      11.54027 
1 1 1 4  19 17 o 196.665 1.7701 388.076  4.8167  199.026 2.1756 194.305 2.7929 4.720413       3.540281 
1 1 1 4  19 19 o 78.037  1.8488 61.357   1.9211  79.380  2.0364 76.694  3.0863 2.686058       3.697595 
1 1 1 4  19 21 o 155.374 1.6319 243.323  3.5390  162.458 2.0611 148.290 2.5306 14.16841       3.263757 
1 1 1 4  19 23 o 148.905 1.7657 222.950  3.6867  154.204 2.2838 143.607 2.6935 10.59729       3.531381 
1 1 1 4  19 25 o 194.992 1.9357 380.185  4.9822  194.381 2.1087 195.603 3.2467 -1.222168      3.871373 
1 1 1 4  19 27 o 29.906  3.8388 9.3398   1.5566  23.942  6.2159 35.870  4.5066 -11.92831      7.677689 
1 1 1 4  19 29 o 119.326 2.4513 141.786  2.7125  118.600 1.5090 120.053 4.6646 -1.452553      4.902663 
1 1 1 4  19 31 o 73.195  2.7843 51.252   1.5837  70.356  1.3950 76.034  5.3910 -5.678192      5.568573 
1 1 1 4  19 33 o 32.577  6.8346 10.988   3.5889  37.646  7.7791 27.507  11.240 10.13960       13.66920 
1 1 1 4  19 35 o 30.883  6.4672 9.3082   3.5528  38.240  7.8188 23.526  10.304 14.71319       12.93445 
1 1 1 4  19 37 o 31.712  6.5756 10.942   3.1709  35.054  7.3204 28.369  10.925 6.685339       13.15115 
1 1 1 4  19 39 o 67.992  3.4284 47.745   3.2907  70.327  4.6792 65.657  5.0120 4.670090       6.856789 
1 1 1 4  19 41 o 29.579  7.4444 10.202   3.9763  31.276  9.6025 27.882  11.378 3.394537       14.88888 
1 1 1 4  19 43 o 42.395  7.4232 24.227   4.2287  41.667  8.6067 43.123  12.097 -1.455601      14.84630 
1 1 1 4  19 45 o 21.339  7.1399 1.1761   5.0281  18.970  8.7192 23.708  11.309 -4.738192      14.27989 
1 1 1 4  20 0  o 177.322 2.3777 314.641  8.4289  177.322 2.3777 ?       ?      0.000000       0.000000 
1 1 1 4  20 2  o 92.017  1.8281 84.982   2.3670  97.350  2.4314 86.684  2.7306 10.66592       3.656262 
1 1 1 4  20 4  o 382.490 2.7205 1462.84  14.450  381.139 3.4081 383.841 4.2415 -2.702362      5.441097 
1 1 1 4  20 6  o 287.756 2.2134 828.954  8.9283  288.930 2.8773 286.582 3.3642 2.348175       4.426855 
1 1 1 4  20 8  o 165.878 1.5255 274.590  3.5710  158.780 2.1452 172.976 2.1694 -14.19592      3.050984 
1 1 1 4  20 10 o 316.954 2.5830 1005.64  11.575  313.438 3.7022 320.470 3.6030 -7.032227      5.166030 
1 1 1 4  20 12 o 237.624 1.9761 567.276  6.4304  241.019 2.3474 234.229 3.1796 6.790024       3.952229 
1 1 1 4  20 14 o 96.352  2.2203 90.191   2.7039  91.222  2.2784 101.482 3.8116 -10.26012      4.440616 
1 1 1 4  20 16 o 185.611 1.7683 347.244  4.5590  192.416 2.1903 178.805 2.7768 13.61043       3.536623 
1 1 1 4  20 18 o 98.178  1.5887 97.826   2.1615  106.619 1.9493 89.737  2.5091 16.88180       3.177323 
1 1 1 4  20 20 f 13.466  4.4798 -4.4901  1.9320  9.5585  4.7046 17.374  7.6251 -7.815483      8.959636 
1 1 1 4  20 22 o 97.705  1.9105 93.322   2.4869  92.027  2.1957 103.382 3.1272 -11.35525      3.821081 
1 1 1 4  20 24 o 44.927  3.3937 19.927   2.0206  32.684  5.2991 57.169  4.2414 -24.48477      6.787458 
1 1 1 4  20 26 o 44.568  2.8048 20.002   1.7604  46.385  3.7339 42.752  4.1863 3.632870       5.609558 
1 1 1 4  20 28 o 15.873  4.3405 -0.3973  1.6987  11.276  5.4229 20.469  6.7787 -9.193648      8.680923 
1 1 1 4  20 30 o 60.564  3.5510 38.590   1.7903  63.076  1.8306 58.052  6.8621 5.024170       7.102026 
1 1 1 4  20 32 o 78.834  2.9320 64.994   1.8231  81.580  1.4154 76.088  5.6906 5.491264       5.864014 
1 1 1 4  20 34 o 44.928  6.4220 22.541   3.7633  50.553  6.2810 39.303  11.203 11.24990       12.84392 
1 1 1 4  20 36 o 92.571  3.1163 86.255   3.8128  90.801  3.4334 94.340  5.2017 -3.538879      6.232596 
1 1 1 4  20 38 o 42.484  6.8830 20.028   3.7899  38.076  8.1240 46.891  11.113 -8.815289      13.76597 
1 1 1 4  20 40 o 40.098  6.5727 19.514   3.7319  45.777  7.3147 34.419  10.922 11.35814       13.14542 
1 1 1 4  20 42 o 37.476  7.9338 20.502   4.4937  38.151  10.121 36.801  12.220 1.349911       15.86758 
1 1 1 4  20 44 o 23.082  7.1881 5.0071   4.5895  21.602  9.7950 24.563  10.523 -2.960201      14.37624 
1 1 1 4  21 1  o 174.548 1.5562 304.828  3.8390  170.215 2.2385 178.880 2.1624 -8.665009      3.112379 
1 1 1 4  21 3  o 94.024  1.6910 87.729   2.2279  98.933  2.5093 89.115  2.2674 9.817688       3.381959 
1 1 1 4  21 5  o 123.911 1.5517 153.799  2.7134  128.524 2.1112 119.299 2.2745 9.225166       3.103304 
1 1 1 4  21 7  o 268.386 2.0085 720.904  7.6202  271.238 2.7883 265.535 2.8917 5.702606       4.017013 
1 1 1 4  21 9  o 143.039 1.8688 205.030  3.7091  142.022 2.9268 144.056 2.3244 -2.033829      3.737532 
1 1 1 4  21 11 o 218.765 1.9094 482.134  5.7618  224.862 2.3107 212.668 3.0404 12.19373       3.818846 
1 1 1 4  21 13 o 261.026 2.6393 689.131  8.7536  266.157 2.6246 255.895 4.5799 10.26173       5.278622 
1 1 1 4  21 15 o 263.332 2.1992 698.737  7.9770  270.086 2.6506 256.578 3.5101 13.50757       4.398466 
1 1 1 4  21 17 o 41.718  3.5874 17.986   1.9612  44.784  3.7385 38.653  6.1238 6.131050       7.174812 
1 1 1 4  21 19 o 193.891 1.9253 377.833  5.0702  196.276 2.2355 191.505 3.1352 4.770630       3.850583 
1 1 1 4  21 21 o 233.946 2.0335 550.006  6.5107  236.900 2.4126 230.992 3.2741 5.907562       4.067008 
1 1 1 4  21 23 o 107.918 1.8928 117.516  2.7535  110.321 2.1456 105.514 3.1188 4.807419       3.785526 
1 1 1 4  21 25 o 127.600 1.7389 163.430  3.0908  129.043 2.1922 126.156 2.7000 2.887299       3.477887 
1 1 1 4  21 27 o 100.456 1.7502 101.135  2.4771  100.953 2.3447 99.960  2.5990 0.9928970      3.500336 
1 1 1 4  21 29 o 161.055 1.6822 260.310  3.7788  162.251 2.1349 159.858 2.6003 2.393677       3.364413 
1 1 1 4  21 31 o 87.002  2.5863 75.045   2.0994  85.903  1.6129 88.102  4.9147 -2.198273      5.172606 
1 1 1 4  21 33 o 26.442  5.2522 7.3339   1.3622  29.356  2.7533 23.528  10.137 5.828110       10.50437 
1 1 1 4  21 35 o 33.094  7.3437 11.188   3.7594  26.079  9.3659 40.109  11.314 -14.02996      14.68745 
1 1 1 4  21 37 o 24.116  6.7417 3.4018   3.6625  26.768  9.3114 21.464  9.7520 5.303802       13.48345 
1 1 1 4  21 39 o 18.970  6.0537 -1.4486  3.4057  18.098  8.1578 19.842  8.9465 -1.743471      12.10744 
1 1 1 4  21 41 o 22.936  6.7232 4.3101   3.6624  18.587  8.4122 27.285  10.490 -8.698029      13.44641 
1 1 1 4  21 43 o 45.474  6.5658 26.536   3.8640  40.695  7.9440 50.252  10.456 -9.556328      13.13150 
1 1 1 4  22 0  o 631.475 6.4744 3994.96  81.749  631.475 6.4744 ?       ?      0.000000       0.000000 
1 1 1 4  22 2  o 538.547 3.6804 2908.50  27.727  541.266 4.7358 535.828 5.6350 5.437927       7.360775 
1 1 1 4  22 4  o 35.660  3.7757 12.706   1.8982  34.451  5.1950 36.870  5.4805 -2.419018      7.551405 
1 1 1 4  22 6  o 402.533 2.6477 1622.01  15.057  403.223 3.8371 401.842 3.6492 1.381134       5.295309 
1 1 1 4  22 8  o 348.061 2.3340 1212.16  11.481  350.964 3.3557 345.158 3.2449 5.805847       4.668013 
1 1 1 4  22 10 o 211.388 1.8634 447.023  5.3089  211.261 2.1315 211.515 3.0570 -0.2532349     3.726762 
1 1 1 4  22 12 o 183.708 1.8862 339.125  4.5234  185.359 1.9934 182.058 3.2028 3.301163       3.772460 
1 1 1 4  22 14 o 170.114 1.7477 287.154  4.0803  165.096 2.1331 175.133 2.7691 -10.03683      3.495399 
1 1 1 4  22 16 o 83.309  1.8625 69.254   2.1802  81.375  2.4831 85.243  2.7768 -3.867935      3.725098 
1 1 1 4  22 18 o 145.268 1.6929 208.981  3.3677  140.142 2.0598 150.394 2.6871 -10.25232      3.385747 
1 1 1 4  22 20 o 135.923 1.8366 185.137  3.4239  136.370 2.2014 135.476 2.9404 0.8943634      3.673169 
1 1 1 4  22 22 o 182.028 1.8092 328.634  4.4562  177.034 2.1197 187.023 2.9326 -9.989532      3.618437 
1 1 1 4  22 24 o 142.931 1.6629 203.874  3.2997  140.676 2.0930 145.187 2.5847 -4.511520      3.325834 
1 1 1 4  22 26 o 19.084  5.3727 1.9234   2.1558  18.790  7.2085 19.377  7.9688 -0.5869694     10.74546 
1 1 1 4  22 28 o 136.906 1.6578 187.980  3.1976  137.889 2.2190 135.922 2.4635 1.967377       3.315585 
1 1 1 4  22 30 o 57.339  4.5064 35.448   2.6775  61.470  3.0994 53.209  8.4631 8.260990       9.012792 
1 1 1 4  22 32 f 78.440  2.7861 60.749   2.0855  76.959  1.8004 79.922  5.2732 -2.962906      5.572120 
1 1 1 4  22 34 o 72.424  3.4454 52.504   1.7152  72.019  1.4429 72.829  6.7381 -0.8095779     6.890816 
1 1 1 4  22 36 o 33.110  7.6435 12.054   4.0182  26.809  9.6988 39.411  11.816 -12.60222      15.28706 
1 1 1 4  22 38 o 17.397  5.8853 -7.2540  3.8230  14.989  7.2282 19.805  9.2898 -4.815954      11.77061 
1 1 1 4  22 40 o 27.871  7.0125 10.312   3.5040  29.139  9.3127 26.602  10.487 2.536371       14.02509 
1 1 1 4  22 42 o 20.781  6.6819 1.4502   4.3022  20.725  9.2864 20.837  9.6101 -0.1113319     13.36381 
1 1 1 4  23 1  o 138.905 1.6762 193.120  3.2897  140.195 2.3061 137.615 2.4332 2.579239       3.352395 
1 1 1 4  23 3  f 191.836 1.6597 367.846  4.4965  188.935 2.2917 194.736 2.4014 -5.801071      3.319431 
1 1 1 4  23 5  o 168.548 1.7540 282.450  4.1519  160.421 2.3752 176.674 2.5815 -16.25261      3.507958 
1 1 1 4  23 7  o 297.912 2.2065 887.898  9.2820  295.211 3.0312 300.614 3.2072 -5.403381      4.412991 
1 1 1 4  23 9  o 186.557 1.8301 349.680  4.7577  190.407 2.3044 182.706 2.8439 7.700775       3.660274 
1 1 1 4  23 11 o 126.334 2.1525 159.208  3.4496  125.505 2.1620 127.164 3.7228 -1.659439      4.305048 
1 1 1 4  23 13 o 108.715 1.7620 117.359  2.5948  106.235 2.0651 111.195 2.8556 -4.959259      3.524050 
1 1 1 4  23 15 o 102.810 1.6555 106.063  2.3872  104.752 2.1494 100.868 2.5184 3.884781       3.310918 
1 1 1 4  23 17 o 82.925  2.1473 70.462   2.3574  87.853  2.3000 77.998  3.6268 9.854095       4.294663 
1 1 1 4  23 19 f 114.183 1.9001 131.392  2.9977  117.308 2.3131 111.058 3.0151 6.250420       3.800124 
1 1 1 4  23 21 o 187.152 1.7866 351.506  4.5901  188.503 2.1439 185.801 2.8586 2.701950       3.573222 
1 1 1 4  23 23 o 69.029  2.4194 47.087   2.3163  64.380  3.1386 73.678  3.6828 -9.297905      4.838761 
1 1 1 4  23 25 o 24.456  5.5758 5.9160   2.1695  23.692  7.4453 25.221  8.3022 -1.528940      11.15160 
1 1 1 4  23 27 o 89.545  2.1724 80.209   2.7055  88.007  2.7552 91.082  3.3594 -3.074806      4.344724 
1 1 1 4  23 29 o 107.377 1.8298 115.829  2.7603  107.968 2.4062 106.787 2.7572 1.181335       3.659532 
1 1 1 4  23 31 o 69.970  3.3183 49.168   2.8220  69.183  3.0876 70.757  5.8746 -1.574760      6.636611 
1 1 1 4  23 33 o 35.341  5.5482 13.452   1.7255  36.764  2.9836 33.918  10.688 2.846420       11.09639 
1 1 1 4  23 35 o 26.859  5.3828 6.3191   1.3226  22.854  3.5366 30.864  10.168 -8.009809      10.76550 
1 1 1 4  23 37 o 53.606  5.1224 32.381   3.5249  58.146  5.2623 49.066  8.7900 9.080235       10.24476 
1 1 1 4  23 39 o 23.521  7.0456 4.7790   4.1149  24.328  9.5694 22.713  10.343 1.614223       14.09117 
1 1 1 4  23 41 o 20.619  6.7752 0.1296   4.5945  18.808  8.7487 22.429  10.348 -3.621557      13.55042 
1 1 1 4  24 0  o 222.919 2.4869 497.306  11.085  222.919 2.4869 ?       ?      0.000000       0.000000 
1 1 1 4  24 2  o 260.775 2.1271 678.129  7.7204  265.666 3.2814 255.883 2.7074 9.783005       4.254152 
1 1 1 4  24 4  f 206.954 1.8244 428.032  5.3276  202.973 2.5030 210.934 2.6549 -7.960571      3.648755 
1 1 1 4  24 6  o 162.065 1.7133 262.885  3.9249  162.690 2.3776 161.440 2.4675 1.250458       3.426573 
1 1 1 4  24 8  o 239.580 1.8764 574.882  6.3458  237.044 2.7521 242.115 2.5514 -5.071899      3.752853 
1 1 1 4  24 10 f 216.872 1.9164 472.243  5.7738  219.969 2.3884 213.776 2.9977 6.193588       3.832784 
1 1 1 4  24 12 o 197.668 1.8949 393.334  5.1404  201.725 2.2609 193.611 3.0415 8.113846       3.789791 
1 1 1 4  24 14 o 148.818 1.7438 222.352  3.5064  150.159 1.9993 147.476 2.8577 2.683426       3.487640 
1 1 1 4  24 16 o 136.323 1.8460 186.012  3.4450  136.199 2.2042 136.446 2.9618 -0.2472229     3.691973 
1 1 1 4  24 18 f 266.589 2.1900 712.409  8.1733  267.154 2.8309 266.025 3.3421 1.128754       4.379919 
1 1 1 4  24 20 o 264.390 2.1364 702.333  7.7027  266.471 2.5132 262.309 3.4555 4.162048       4.272745 
1 1 1 4  24 22 o 159.545 2.0646 253.425  4.3920  156.890 2.3183 162.200 3.4170 -5.309891      4.129160 
1 1 1 4  24 24 o 73.217  2.7348 53.639   2.7994  71.363  3.5596 75.071  4.1528 -3.707474      5.469589 
1 1 1 4  24 26 o 65.732  2.8163 43.469   2.5518  65.445  3.4404 66.020  4.4598 -0.5744019     5.632581 
1 1 1 4  24 28 o 55.826  3.1882 31.863   2.4704  58.770  3.9294 52.883  5.0218 5.886898       6.376419 
1 1 1 4  24 30 f 99.503  1.9748 99.675   2.7663  101.264 2.6225 97.742  2.9533 3.522255       3.949637 
1 1 1 4  24 32 o 28.817  6.5216 8.3078   2.7336  30.395  6.2909 27.239  11.426 3.156019       13.04323 
1 1 1 4  24 34 o 91.627  2.9427 80.038   2.4219  86.378  1.8046 96.877  5.6018 -10.49902      5.885303 
1 1 1 4  24 36 o 23.407  7.3098 0.1430   4.8385  19.977  9.3418 26.836  11.246 -6.859344      14.61962 
1 1 1 4  24 38 o 22.518  7.0925 2.6316   4.4627  22.027  9.3842 23.010  10.637 -0.9834480     14.18508 
1 1 1 4  24 40 o 22.719  7.0196 4.9355   4.1800  21.743  9.2877 23.695  10.528 -1.952076      14.03914 
1 1 1 4  25 1  o 143.125 1.7132 205.179  3.4630  140.744 2.5022 145.507 2.3409 -4.763474      3.426493 
1 1 1 4  25 3  o 188.281 1.7238 354.778  4.5895  186.411 2.4467 190.150 2.4289 -3.738937      3.447575 
1 1 1 4  25 5  o 200.113 1.9898 398.892  5.4834  203.844 3.1437 196.382 2.4400 7.462616       3.979541 
1 1 1 4  25 7  o 189.466 1.8313 359.159  4.9045  192.631 2.6074 186.302 2.5721 6.328873       3.662532 
1 1 1 4  25 9  o 177.513 1.7288 315.679  4.2311  178.167 2.1062 176.859 2.7420 1.307800       3.457582 
1 1 1 4  25 11 o 203.675 1.8004 415.958  5.1475  206.211 2.3517 201.140 2.7267 5.071014       3.600798 
1 1 1 4  25 13 o 176.238 1.8910 311.033  4.5167  176.325 2.1937 176.151 3.0808 0.1734314      3.782013 
1 1 1 4  25 15 o 141.928 1.8532 199.393  3.5650  137.165 2.1887 146.691 2.9911 -9.527008      3.706321 
1 1 1 4  25 17 o 172.045 1.8485 296.387  4.3374  171.856 2.1836 172.234 2.9833 -0.3781281     3.696997 
1 1 1 4  25 19 o 58.443  3.2998 33.717   2.5906  55.508  3.8482 61.378  5.3614 -5.869755      6.599540 
1 1 1 4  25 21 o 127.782 2.3092 166.679  3.8377  132.849 2.3901 122.715 3.9519 10.13441       4.618429 
1 1 1 4  25 23 o 134.885 2.0387 182.205  3.8129  133.867 2.5445 135.902 3.1861 -2.035141      4.077416 
1 1 1 4  25 25 o 122.572 2.0834 150.987  3.5198  122.877 2.5371 122.267 3.3053 0.6101685      4.166751 
1 1 1 4  25 27 o 96.211  2.2768 92.754   3.0431  94.219  2.8799 98.202  3.5274 -3.982857      4.553687 
1 1 1 4  25 29 o 125.684 1.9070 159.511  3.2997  128.034 2.2997 123.335 3.0426 4.699135       3.813917 
1 1 1 4  25 31 o 15.954  5.0859 -2.2021  2.4028  13.707  6.4175 18.202  7.8917 -4.494602      10.17172 
1 1 1 4  25 33 o 31.861  7.0088 11.110   3.1311  31.462  7.2928 32.261  11.971 -0.7997952     14.01764 
1 1 1 4  25 35 o 25.490  6.4057 5.9622   1.8894  22.029  5.2984 28.950  11.664 -6.920795      12.81142 
1 1 1 4  25 37 o 20.050  6.5152 -0.5677  4.0413  17.921  8.2674 22.180  10.072 -4.259781      13.03035 
1 1 1 4  25 39 o 22.207  6.7238 3.6428   3.8866  23.304  8.8925 21.111  10.088 2.192719       13.44758 
1 1 1 4  26 0  o 10.882  7.2659 -1.0392  4.1567  10.882  7.2659 ?       ?      0.000000       0.000000 
1 1 1 4  26 2  o 119.312 1.8992 142.501  3.2039  121.174 2.6681 117.450 2.7035 3.723541       3.798373 
1 1 1 4  26 4  o 151.179 1.6214 228.778  3.4601  151.603 2.2087 150.755 2.3743 0.8481750      3.242807 
1 1 1 4  26 6  o 48.508  3.2888 23.627   2.2456  48.202  4.9107 48.814  4.3760 -0.6122742     6.577539 
1 1 1 4  26 8  o 76.628  2.5861 58.641   2.7759  74.912  3.3910 78.344  3.9056 -3.432259      5.172270 
1 1 1 4  26 10 o 36.949  4.6217 14.251   2.1035  38.527  4.3457 35.372  8.1583 3.154362       9.243481 
1 1 1 4  26 12 o 224.733 1.9603 504.901  6.1352  222.678 2.4889 226.788 3.0293 -4.110504      3.920658 
1 1 1 4  26 14 o 219.577 1.8837 481.888  5.6813  217.806 2.2795 221.348 2.9995 -3.541916      3.767364 
1 1 1 4  26 16 o 57.677  3.6068 32.894   2.8527  54.000  4.4903 61.355  5.6457 -7.355190      7.213701 
1 1 1 4  26 18 o 91.368  2.1720 82.827   2.7331  87.866  2.6939 94.869  3.4079 -7.002945      4.344018 
1 1 1 4  26 20 o 95.830  2.2201 92.686   2.9393  98.243  2.7032 93.417  3.5226 4.826775       4.440288 
1 1 1 4  26 22 o 50.147  4.3224 26.233   2.7894  53.181  4.3423 47.112  7.4752 6.069782       8.644856 
1 1 1 4  26 24 o 117.462 2.0600 139.545  3.3356  120.644 2.4884 114.279 3.2837 6.364922       4.120053 
1 1 1 4  26 26 o 121.850 2.0598 149.468  3.4753  122.542 2.5441 121.158 3.2402 1.383842       4.119636 
1 1 1 4  26 28 o 22.932  5.9586 4.5810   2.4961  22.607  7.7880 23.257  9.0204 -0.6493645     11.91726 
1 1 1 4  26 30 o 35.210  5.7725 13.791   2.8100  37.209  7.2405 33.212  8.9924 3.996540       11.54507 
1 1 1 4  26 32 o 45.873  4.2036 23.389   2.4370  54.029  4.1673 37.717  7.3017 16.31230       8.407222 
1 1 1 4  26 34 o 21.190  5.9939 2.7594   2.2750  20.550  6.3696 21.830  10.155 -1.280205      11.98774 
1 1 1 4  26 36 o 19.502  6.1813 2.1436   1.9077  14.105  5.5642 24.898  11.040 -10.79320      12.36256 
1 1 1 4  26 38 o 21.987  6.8430 3.8308   4.0782  21.662  9.1486 22.313  10.179 -0.6509037     13.68607 
1 1 1 4  27 1  o 19.381  5.0102 1.2162   2.1553  14.184  6.6224 24.578  7.5202 -10.39349      10.02047 
1 1 1 4  27 3  o 33.207  5.5802 11.649   2.5967  36.101  7.2918 30.313  8.4490 5.787691       11.16046 
1 1 1 4  27 5  o 43.219  3.4476 18.761   2.1068  43.417  4.9200 43.021  4.8310 0.3954391      6.895269 
1 1 1 4  27 7  o 40.508  5.0485 17.161   2.7411  27.684  8.3087 53.331  5.7373 -25.64742      10.09710 
1 1 1 4  27 9  f 65.926  2.8610 43.923   2.4940  67.027  3.1008 64.826  4.8091 2.201241       5.722099 
1 1 1 4  27 11 o 51.495  5.0881 29.234   2.8719  57.357  3.8249 45.633  9.4300 11.72416       10.17614 
1 1 1 4  27 13 o 124.908 1.8702 156.565  3.1880  125.546 2.2073 124.270 3.0197 1.275703       3.740412 
1 1 1 4  27 15 o 43.355  4.5209 17.791   2.5058  30.557  6.6108 56.154  6.1687 -25.59697      9.041824 
1 1 1 4  27 17 o 109.730 2.1443 120.229  3.1895  108.364 2.5040 111.097 3.4817 -2.732552      4.288620 
1 1 1 4  27 19 o 66.078  3.3078 43.219   2.7179  64.066  3.2441 68.090  5.7656 -4.024788      6.615594 
1 1 1 4  27 21 o 116.702 2.2218 138.349  3.4863  120.379 2.4939 113.025 3.6777 7.353813       4.443525 
1 1 1 4  27 23 o 87.350  2.2731 76.954   2.7973  89.449  3.0335 85.250  3.3861 4.199142       4.546141 
1 1 1 4  27 25 o 23.514  6.1962 4.3913   2.6737  19.942  7.7960 27.086  9.6330 -7.143654      12.39246 
1 1 1 4  27 27 o 74.798  2.6247 57.342   2.6692  78.299  3.0231 71.297  4.2916 7.001587       5.249485 
1 1 1 4  27 29 o 41.254  4.8888 18.209   2.6909  42.095  5.6231 40.412  7.9989 1.682350       9.777564 
1 1 1 4  27 31 o 33.906  5.4717 13.042   2.5428  34.974  6.8470 32.838  8.5369 2.136272       10.94349 
1 1 1 4  27 33 o 19.339  5.5908 2.4852   2.4028  18.195  7.4884 20.484  8.3036 -2.288666      11.18151 
1 1 1 4  27 35 o 31.687  6.5951 11.489   2.2852  30.665  4.7067 32.708  12.322 -2.043282      13.19027 
1 1 1 4  27 37 o 22.874  6.4421 5.1031   1.8776  16.845  5.7290 28.903  11.540 -12.05728      12.88423 
1 1 1 4  28 0  o 314.639 3.2485 991.610  20.437  314.639 3.2485 ?       ?      0.000000       0.000000 
1 1 1 4  28 2  o 189.967 1.8378 361.264  4.9278  188.339 2.5136 191.595 2.6818 -3.255554      3.675604 
1 1 1 4  28 4  o 107.586 2.0323 116.087  3.0884  105.330 2.9598 109.841 2.7857 -4.511841      4.064522 
1 1 1 4  28 6  o 240.756 2.0350 580.908  6.9260  240.676 2.9265 240.837 2.8286 -0.1614075     4.070078 
1 1 1 4  28 8  o 200.767 2.0168 406.991  5.5210  205.775 2.3567 195.760 3.2736 10.01585       4.033631 
1 1 1 4  28 10 o 119.184 2.1231 142.795  3.4270  120.178 2.4500 118.190 3.4681 1.987724       4.246232 
1 1 1 4  28 12 o 254.194 2.4604 650.153  8.6015  256.994 2.9653 251.395 3.9270 5.598419       4.920792 
1 1 1 4  28 14 o 227.413 2.0557 520.252  6.3930  230.048 2.4343 224.777 3.3133 5.270447       4.111382 
1 1 1 4  28 16 o 73.420  2.7586 55.466   2.7279  78.741  3.0794 68.100  4.5779 10.64096       5.517244 
1 1 1 4  28 18 o 121.187 2.2261 147.926  3.5606  122.017 2.4131 120.358 3.7414 1.658669       4.452112 
1 1 1 4  28 20 o 77.400  2.9005 59.176   2.8770  74.247  3.0325 80.552  4.9453 -6.305038      5.801024 
1 1 1 4  28 22 o 142.950 2.2007 205.898  4.2783  143.655 2.5720 142.246 3.5716 1.408829       4.401330 
1 1 1 4  28 24 o 85.627  2.4341 72.770   2.8527  81.073  2.9908 90.182  3.8411 -9.108696      4.868145 
1 1 1 4  28 26 o 63.508  3.3532 42.339   2.8127  68.095  3.5609 58.921  5.6830 9.173401       6.706396 
1 1 1 4  28 28 o 23.871  6.4651 4.5122   3.1449  25.469  8.5935 22.274  9.6614 3.195173       12.93030 
1 1 1 4  28 30 o 29.603  5.3004 9.9349   2.6348  38.335  5.8734 20.872  8.8249 17.46300       10.60071 
1 1 1 4  28 32 o 20.200  5.8982 2.8951   2.7274  19.891  8.1005 20.508  8.5755 -0.6170998     11.79650 
1 1 1 4  28 34 o 24.726  5.8072 7.5464   2.4234  27.106  8.1087 22.347  8.3153 4.759436       11.61442 
1 1 1 4  28 36 o 30.555  5.4113 13.309   2.3399  39.823  3.6243 21.286  10.198 18.53708       10.82262 
1 1 1 4  29 1  o 258.009 2.2228 667.216  8.1064  262.455 3.1676 253.564 3.1193 8.891357       4.445594 
1 1 1 4  29 3  o 146.598 1.7815 214.455  3.6723  151.204 2.6345 141.991 2.3989 9.212952       3.563064 
1 1 1 4  29 5  o 139.757 1.8107 195.500  3.5757  142.744 2.5885 136.770 2.5327 5.973190       3.621401 
1 1 1 4  29 7  o 134.879 2.1115 182.655  3.5570  135.331 2.0477 134.428 3.6934 0.9029083      4.223075 
1 1 1 4  29 9  o 85.469  2.7802 76.685   2.8294  91.543  2.3965 79.395  5.0173 12.14737       5.560308 
1 1 1 4  29 11 f 83.415  2.3308 69.714   2.7177  82.546  3.0074 84.285  3.5618 -1.739319      4.661656 
1 1 1 4  29 13 o 76.936  2.9939 58.587   2.9066  74.617  3.0175 79.255  5.1719 -4.638832      5.987798 
1 1 1 4  29 15 o 46.973  4.9175 23.203   3.0280  49.601  5.3541 44.344  8.2498 5.257233       9.834938 
1 1 1 4  29 17 o 87.561  2.9321 77.724   3.3362  88.504  3.0659 86.618  4.9988 1.885353       5.864137 
1 1 1 4  29 19 o 50.070  5.0054 27.693   3.1238  58.128  4.7673 42.011  8.8028 16.11672       10.01085 
1 1 1 4  29 21 o 22.261  6.2304 3.0734   2.9036  22.467  8.4762 22.055  9.1339 0.4126701      12.46085 
1 1 1 4  29 23 f 58.201  3.7351 34.639   2.8677  58.467  4.0485 57.934  6.2780 0.5326614      7.470203 
1 1 1 4  29 25 o 77.947  2.9203 61.662   3.1602  77.179  3.6653 78.714  4.5473 -1.534874      5.840643 
1 1 1 4  29 27 o 69.972  3.6185 49.814   3.4667  65.959  4.4639 73.986  5.6963 -8.026993      7.237028 
1 1 1 4  29 29 o 68.248  3.4244 48.186   3.1267  66.912  3.8826 69.583  5.6419 -2.670731      6.848786 
1 1 1 4  29 31 o 23.133  6.2664 5.8397   2.7292  20.299  7.8245 25.968  9.7901 -5.669008      12.53276 
1 1 1 4  29 33 o 23.575  6.0989 6.8172   2.7519  25.929  8.4975 21.220  8.7510 4.709375       12.19790 
1 1 1 4  29 35 o 38.586  5.1161 18.924   2.7122  41.879  6.3413 35.293  8.0303 6.586143       10.23218 
1 1 1 4  30 0  o 257.964 2.9998 666.693  15.472  257.964 2.9998 ?       ?      0.000000       0.000000 
1 1 1 4  30 2  o 219.591 1.9706 483.405  6.1191  220.690 2.7991 218.492 2.7744 2.197815       3.941114 
1 1 1 4  30 4  o 206.630 2.0672 428.506  6.0263  204.821 3.0442 208.438 2.7975 -3.617371      4.134331 
1 1 1 4  30 6  o 171.911 1.9178 295.216  4.4966  169.871 2.2771 173.951 3.0866 -4.080002      3.835603 
1 1 1 4  30 8  o 76.003  2.5020 57.878   2.6594  74.673  3.2472 77.332  3.8074 -2.659660      5.004034 
1 1 1 4  30 10 o 59.480  3.8432 35.694   2.9534  59.131  4.0030 59.829  6.5617 -0.6974716     7.686357 
1 1 1 4  30 12 o 66.812  3.1533 45.077   2.7894  66.903  3.4517 66.720  5.2783 0.1826782      6.306694 
1 1 1 4  30 14 o 40.903  5.4180 17.320   2.9097  37.419  6.7246 44.388  8.4970 -6.969025      10.83603 
1 1 1 4  30 16 o 75.224  2.6473 56.274   2.6926  72.172  3.1197 78.275  4.2778 -6.102425      5.294563 
1 1 1 4  30 18 o 97.139  3.2635 93.532   3.9365  93.806  3.2003 100.472 5.6887 -6.665543      6.527077 
1 1 1 4  30 20 o 114.371 2.4263 131.267  3.6306  113.167 2.6018 115.575 4.0961 -2.408669      4.852533 
1 1 1 4  30 22 o 92.714  2.6057 86.703   3.1803  91.729  2.8322 93.699  4.3746 -1.970695      5.211408 
1 1 1 4  30 24 o 39.808  6.4411 17.916   3.4039  39.074  7.5076 40.541  10.468 -1.466137      12.88225 
1 1 1 4  30 26 o 14.583  4.9980 -6.2826  2.6896  12.220  5.8690 16.945  8.0917 -4.724572      9.996014 
1 1 1 4  30 28 o 23.461  6.6670 3.8498   3.3475  17.972  7.9535 28.950  10.702 -10.97833      13.33407 
1 1 1 4  30 30 o 32.056  6.1631 13.135   2.8820  29.359  8.7718 34.753  8.6597 -5.394077      12.32623 
1 1 1 4  30 32 o 24.245  6.3481 7.6784   2.8866  24.310  8.9823 24.180  8.9727 0.1297588      12.69614 
1 1 1 4  30 34 o 25.045  6.2927 9.1859   2.8225  26.089  8.4975 24.002  9.2836 2.086926       12.58547 
1 1 1 4  31 1  o 113.428 2.3142 129.700  3.6867  116.482 3.0234 110.374 3.5045 6.108383       4.628414 
1 1 1 4  31 3  o 200.998 1.9147 405.082  5.3875  200.137 2.4808 201.859 2.9172 -1.721710      3.829431 
1 1 1 4  31 5  o 238.830 2.4145 574.268  8.1300  241.972 3.2448 235.688 3.5763 6.284561       4.828964 
1 1 1 4  31 7  o 137.040 2.1011 188.950  3.8195  137.669 2.3065 136.412 3.5127 1.257095       4.202271 
1 1 1 4  31 9  o 74.334  3.3129 56.142   3.1975  75.117  3.4585 73.551  5.6515 1.566483       6.625782 
1 1 1 4  31 11 o 99.359  2.7120 100.303  3.5181  101.058 2.8564 97.660  4.6110 3.397804       5.424078 
1 1 1 4  31 13 o 132.324 2.0073 175.820  3.5650  132.037 2.2737 132.611 3.3087 -0.5747070     4.014574 
1 1 1 4  31 15 f 81.450  3.1710 65.386   3.4309  76.271  3.6333 86.630  5.1981 -10.35827      6.342031 
1 1 1 4  31 17 o 86.576  3.0730 74.686   3.3548  84.026  3.0919 89.126  5.3116 -5.100494      6.145970 
1 1 1 4  31 19 o 49.766  4.7032 25.396   3.1449  47.451  5.4750 52.080  7.6489 -4.628773      9.406418 
1 1 1 4  31 21 o 55.487  3.9545 30.905   2.8920  51.721  4.4649 59.253  6.5280 -7.532009      7.908901 
1 1 1 4  31 23 o 42.817  5.9423 19.213   3.3863  33.493  8.1642 52.140  8.6365 -18.64708      11.88458 
1 1 1 4  31 25 o 25.609  6.7843 6.3426   3.1803  20.518  8.2559 30.699  10.768 -10.18141      13.56853 
1 1 1 4  31 27 o 25.217  6.7403 7.2624   3.2685  25.399  8.8588 25.034  10.161 0.3649025      13.48056 
1 1 1 4  31 29 o 37.881  6.2330 18.546   3.3060  42.458  6.7988 33.303  10.449 9.154636       12.46592 
1 1 1 4  31 31 o 39.327  5.4905 18.949   2.8922  39.007  6.3643 39.647  8.9487 -0.6405640     10.98103 
1 1 1 4  32 0  o 131.131 3.3067 172.850  8.6598  131.131 3.3067 ?       ?      0.000000       0.000000 
1 1 1 4  32 2  o 130.406 2.3011 171.076  4.2384  129.306 3.1700 131.506 3.3365 -2.200134      4.602276 
1 1 1 4  32 4  o 94.381  2.6817 89.873   3.5785  94.887  3.8331 93.875  3.7515 1.012222       5.363428 
1 1 1 4  32 6  o 72.146  3.4694 52.382   3.0021  71.450  3.1512 72.843  6.1820 -1.392876      6.938803 
1 1 1 4  32 8  o 29.875  5.7255 8.5537   3.1495  39.715  7.0873 20.035  8.9942 19.68046       11.45099 
1 1 1 4  32 10 o 102.672 2.5592 104.609  3.3723  99.658  2.6648 105.687 4.3701 -6.028519      5.118467 
1 1 1 4  32 12 o 78.751  3.0436 62.448   3.0628  78.119  3.1039 79.383  5.2363 -1.264603      6.087122 
1 1 1 4  32 14 o 29.613  6.4394 9.0544   2.7375  27.009  7.5937 32.218  10.402 -5.208775      12.87882 
1 1 1 4  32 16 o 61.878  4.0725 38.586   3.1166  59.628  3.9697 64.128  7.1121 -4.500187      8.144990 
1 1 1 4  32 18 o 104.111 2.5841 109.677  3.4639  103.888 2.6674 104.334 4.4267 -0.4464645     5.168281 
1 1 1 4  32 20 o 48.913  5.6275 27.233   3.1859  53.718  4.6213 44.107  10.262 9.611244       11.25494 
1 1 1 4  32 22 o 52.632  5.1415 29.904   3.0517  52.783  4.2657 52.482  9.3565 0.3000946      10.28302 
1 1 1 4  32 24 o 31.013  6.9622 10.537   3.3568  21.954  8.4904 40.072  11.036 -18.11881      13.92444 
1 1 1 4  32 26 o 24.485  6.5340 6.5843   3.3437  27.467  8.8711 21.504  9.5956 5.963018       13.06792 
1 1 1 4  32 28 o 23.099  6.4407 6.3667   3.0107  20.791  8.3003 25.408  9.8507 -4.617220      12.88144 
1 1 1 4  32 30 o 31.775  6.7538 15.275   3.3395  27.583  9.4959 35.968  9.6063 -8.385269      13.50758 
1 1 1 4  33 1  o 70.278  3.0420 50.220   2.9976  67.167  4.6415 73.390  3.9333 -6.223053      6.083915 
1 1 1 4  33 3  o 21.862  6.6034 0.4859   3.5803  20.212  8.7744 23.513  9.8706 -3.300632      13.20676 
1 1 1 4  33 5  o 84.978  3.0956 73.982   3.2150  86.929  2.8558 83.027  5.4932 3.901779       6.191203 
1 1 1 4  33 7  o 52.264  4.2825 27.296   3.0483  47.799  5.3144 56.729  6.7168 -8.929932      8.564908 
1 1 1 4  33 9  o 54.584  4.4268 30.618   3.2051  54.495  4.8732 54.673  7.3916 -0.1781006     8.853510 
1 1 1 4  33 11 o 91.071  2.7601 86.244   3.3084  97.227  2.9096 84.916  4.6911 12.31056       5.520174 
1 1 1 4  33 13 o 117.215 2.4393 138.209  3.9025  114.918 2.9138 119.511 3.9129 -4.593010      4.878597 
1 1 1 4  33 15 o 106.734 2.5696 116.988  3.5087  109.514 2.5831 103.953 4.4429 5.561096       5.139284 
1 1 1 4  33 17 o 69.190  3.7657 48.323   3.3723  65.704  4.0419 72.677  6.3550 -6.972755      7.531428 
1 1 1 4  33 19 o 40.973  5.6645 18.359   2.7712  40.432  5.1404 41.515  10.096 -1.083496      11.32905 
1 1 1 4  33 21 o 18.674  5.9250 -1.3552  3.2144  18.559  7.9197 18.790  8.8147 -0.2308197     11.84991 
1 1 1 4  33 23 f 25.805  5.5259 5.4424   3.0010  14.814  7.0836 36.796  8.4833 -21.98191      11.05188 
1 1 1 4  33 25 o 30.091  7.0204 11.014   3.5528  20.441  8.5155 39.740  11.164 -19.29917      14.04070 
1 1 1 4  33 27 o 16.556  5.4797 -3.0517  3.0918  16.116  7.1522 16.996  8.3038 -0.8797760     10.95934 
1 1 1 4  33 29 o 26.686  6.9659 11.170   3.4611  27.003  9.3192 26.368  10.356 0.6342278      13.93185 
1 1 1 4  34 0  o 109.843 4.4306 122.277  9.6990  109.843 4.4306 ?       ?      0.000000       0.000000 
1 1 1 4  34 2  o 75.244  3.4678 57.793   3.6149  75.128  4.3033 75.361  5.4392 -0.2327347     6.935664 
1 1 1 4  34 4  o 38.065  6.4343 15.565   3.3254  31.622  8.5559 44.507  9.6125 -12.88542      12.86869 
1 1 1 4  34 6  o 57.078  3.5842 32.912   2.7035  55.058  3.9846 59.099  5.9589 -4.041561      7.168387 
1 1 1 4  34 8  o 74.872  3.7455 58.040   3.6567  76.432  3.9278 73.311  6.3788 3.121666       7.491048 
1 1 1 4  34 10 f 23.413  6.3835 3.9567   3.0588  24.774  8.4004 22.052  9.6141 2.721867       12.76709 
1 1 1 4  34 12 f 69.977  3.6849 52.185   3.2582  74.660  3.5571 65.294  6.4546 9.366013       7.369850 
1 1 1 4  34 14 o 89.610  2.9693 81.998   3.5424  89.149  3.3027 90.071  4.9354 -0.9224548     5.938546 
1 1 1 4  34 16 o 32.074  6.4489 11.549   2.7316  30.312  6.8298 33.836  10.941 -3.523645      12.89786 
1 1 1 4  34 18 o 55.908  4.1912 32.867   3.0756  54.291  4.5725 57.524  7.0253 -3.232803      8.382324 
1 1 1 4  34 20 o 21.983  6.5026 2.9971   2.9891  15.427  6.9444 28.540  10.996 -13.11231      13.00511 
1 1 1 4  34 22 o 51.553  5.1130 30.278   3.6054  48.775  6.2734 54.332  8.0756 -5.557751      10.22597 
1 1 1 4  34 24 o 30.822  6.4186 13.424   3.4748  38.007  7.7117 23.637  10.263 14.37011       12.83727 
1 1 1 4  34 26 o 23.642  6.5685 6.9518   3.6678  26.884  8.7824 20.400  9.7698 6.483982       13.13699 
1 1 1 4  35 1  o 130.243 2.4312 170.939  4.4070  134.722 3.7282 125.765 3.1215 8.957069       4.862460 
1 1 1 4  35 3  o 62.851  3.9499 40.709   3.1557  62.185  3.9921 63.517  6.8170 -1.332264      7.899875 
1 1 1 4  35 5  o 49.538  4.5230 25.508   3.1081  46.267  5.8647 52.809  6.8873 -6.542732      9.045972 
1 1 1 4  35 7  o 54.063  4.7163 31.741   3.0937  57.491  4.2176 50.636  8.4371 6.855247       9.432550 
1 1 1 4  35 9  o 29.562  6.7575 9.8945   3.2259  30.603  8.7824 28.520  10.272 2.082453       13.51496 
1 1 1 4  35 11 o 78.603  3.5709 65.548   3.3340  81.801  3.1054 75.405  6.4313 6.396118       7.141801 
1 1 1 4  35 13 o 102.914 2.7869 107.422  3.7417  100.183 2.9966 105.645 4.6997 -5.462440      5.573748 
1 1 1 4  35 15 o 66.572  3.5590 46.469   3.1682  66.529  3.9918 66.615  5.8933 -0.8553314E-01 7.117930 
1 1 1 4  35 17 o 15.787  5.4354 -5.6296  3.0273  12.200  5.9129 19.373  9.1220 -7.172718      10.87076 
1 1 1 4  35 19 o 18.972  6.0775 -0.5003  3.4575  18.669  8.1204 19.276  9.0446 -0.6071377     12.15504 
1 1 1 4  35 21 o 35.489  6.6918 17.848   3.4309  39.725  7.2445 31.254  11.253 8.470776       13.38353 
1 1 1 4  35 23 o 20.841  6.3605 4.0002   3.3436  19.458  8.3712 22.224  9.5784 -2.766121      12.72097 
1 1 1 4  35 25 o 32.398  7.1207 16.274   3.5961  34.230  8.6045 30.566  11.348 3.663797       14.24147 
1 1 1 4  36 0  o 63.844  5.0350 42.376   6.3506  63.844  5.0350 ?       ?      0.000000       0.000000 
1 1 1 4  36 2  o 56.855  4.5332 34.766   3.3617  58.417  4.7437 55.293  7.7264 3.123695       9.066424 
1 1 1 4  36 4  o 18.341  5.9824 -2.3661  3.1859  15.394  7.0597 21.287  9.6600 -5.893030      11.96470 
1 1 1 4  36 6  o 50.647  5.9975 32.225   3.2570  60.798  4.0832 40.495  11.279 20.30270       11.99492 
1 1 1 4  36 8  o 55.804  4.5811 33.210   3.5064  53.262  5.6365 58.345  7.2233 -5.083363      9.162194 
1 1 1 4  36 10 o 52.588  5.1630 30.299   3.6844  51.154  6.0945 54.022  8.3358 -2.867783      10.32607 
1 1 1 4  36 12 o 20.699  6.4648 -0.4215  3.3063  13.667  6.5455 27.731  11.150 -14.06453      12.92957 
1 1 1 4  36 14 o 46.876  6.3370 28.117   3.6641  52.161  5.6447 41.591  11.348 10.57021       12.67397 
1 1 1 4  36 16 o 27.453  6.3389 9.3082   3.2685  33.190  8.3502 21.716  9.5395 11.47470       12.67784 
1 1 1 4  36 18 o 38.446  6.7766 19.947   3.3476  40.468  6.1345 36.424  12.085 4.043613       13.55319 
1 1 1 4  36 20 f 31.533  6.9641 14.423   3.3677  30.666  8.8949 32.400  10.718 -1.734610      13.92819 
1 1 1 4  36 22 o 30.671  7.6873 16.042   4.0520  30.765  9.5327 30.578  12.063 0.1863518      15.37468 
1 1 1 4  37 1  o 31.512  6.2928 12.347   3.1267  36.984  7.2839 26.039  10.264 10.94540       12.58557 
1 1 1 4  37 3  o 41.909  6.1956 20.113   3.3103  36.718  7.3349 47.099  9.9872 -10.38076      12.39129 
1 1 1 4  37 5  o 75.714  3.6788 62.468   3.6649  80.300  3.8823 71.128  6.2499 9.172646       7.357538 
1 1 1 4  37 7  o 44.604  6.1442 24.000   3.3203  45.232  5.6160 43.976  10.930 1.255844       12.28850 
1 1 1 4  37 9  o 19.739  6.2757 0.4082   3.6251  19.434  8.4888 20.043  9.2453 -0.6086082     12.55131 
1 1 1 4  37 11 o 42.274  6.4594 24.818   3.5570  52.471  5.2813 32.078  11.790 20.39323       12.91874 
1 1 1 4  37 13 o 50.090  5.2437 28.090   3.4320  42.877  6.1937 57.303  8.4630 -14.42549      10.48731 
1 1 1 4  37 15 o 24.369  6.3953 5.8232   3.6475  29.876  9.0652 18.863  9.0234 11.01304       12.79060 
1 1 1 4  37 17 o 18.051  5.8864 -0.2046  3.4039  17.298  7.7853 18.804  8.8311 -1.506714      11.77279 
1 1 1 4  37 19 o 36.947  7.3392 21.130   3.8472  37.384  8.5252 36.509  11.949 0.8754578      14.67832 
1 1 1 4  38 0  o 62.411  5.5405 41.683   6.8124  62.411  5.5405 ?       ?      0.000000       0.000000 
1 1 1 4  38 2  o 55.325  5.4209 35.740   4.0808  53.636  6.4582 57.014  8.7084 -3.377502      10.84177 
1 1 1 4  38 4  o 47.298  5.9466 26.893   3.6306  45.385  6.4875 49.211  9.9679 -3.826363      11.89312 
1 1 1 4  38 6  o 37.133  6.3746 17.782   3.1868  35.017  7.7879 39.250  10.094 -4.232723      12.74910 
1 1 1 4  38 8  o 20.661  6.7214 1.5010   3.9346  18.453  8.1133 22.869  10.718 -4.416111      13.44271 
1 1 1 4  38 10 o 37.012  6.4614 19.288   3.5003  44.014  6.5584 30.009  11.135 14.00500       12.92290 
1 1 1 4  38 12 o 38.375  6.9209 20.307   3.5961  35.224  8.4538 41.526  10.960 -6.301899      13.84188 
1 1 1 4  38 14 o 21.180  6.5600 5.2217   3.3227  18.763  7.8616 23.596  10.504 -4.833143      13.12003 
1 1 1 4  39 1  o 31.270  7.1848 14.516   3.6335  32.244  10.314 30.296  10.005 1.947838       14.36965 
1 1 1 4  39 3  o 39.897  6.6906 21.420   3.6247  34.132  8.8809 45.661  10.009 -11.52878      13.38114 
1 1 1 4  39 5  o 37.643  6.5470 20.252   3.4753  41.399  7.8158 33.887  10.505 7.512794       13.09394 
1 1 1 4  39 7  f 27.867  6.9362 11.203   3.3699  19.617  8.2193 36.117  11.175 -16.50050      13.87250 
1 1 1 4  39 9  o 16.750  5.7787 -4.7873  3.8370  14.977  7.0562 18.523  9.1533 -3.546280      11.55741 
1 1 1 5  1  0  f 301.273 3.2777 908.013  19.744  301.273 3.2777 ?       ?      0.000000       0.000000 
1 1 1 5  1  2  f 500.993 3.0720 2510.32  21.765  499.956 4.3534 502.030 4.3354 -2.074249      6.143929 
1 1 1 5  1  4  o 463.056 3.1364 2141.93  20.358  466.629 4.7509 459.483 4.0961 7.145813       6.272884 
1 1 1 5  1  6  o 111.794 0.9672 124.658  1.5250  108.257 1.3332 115.331 1.4016 -7.074722      1.934432 
1 1 1 5  1  8  f 63.236  0.8713 39.942   0.7783  61.821  1.2140 64.651  1.2502 -2.830124      1.742640 
1 1 1 5  1  10 o 733.603 4.2266 5384.38  43.843  733.079 5.9222 734.126 6.0317 -1.047180      8.453099 
1 1 1 5  1  12 f 189.504 1.4275 359.580  3.7019  190.283 1.6991 188.725 2.2943 1.558105       2.854928 
1 1 1 5  1  14 o 1020.85 5.8587 10443.21 82.554  1022.52 7.1706 1019.19 9.2671 3.322510       11.71738 
1 1 1 5  1  16 o 562.927 3.5713 3168.90  28.158  561.718 4.6353 564.136 5.4341 -2.418152      7.142526 
1 1 1 5  1  18 o 549.529 3.1906 3019.64  24.784  554.007 4.5748 545.052 4.4487 8.955750       6.381151 
1 1 1 5  1  20 o 226.709 1.5574 513.687  4.9897  223.513 2.1697 229.904 2.2349 -6.390915      3.114860 
1 1 1 5  1  22 o 411.324 2.5060 1692.35  14.577  410.468 3.5444 412.180 3.5437 -1.711914      5.011997 
1 1 1 5  1  24 o 167.709 1.3145 280.829  3.1079  170.703 1.9278 164.715 1.7875 5.987564       2.628978 
1 1 1 5  1  26 o 126.148 1.2141 159.206  2.1646  125.027 1.7547 127.270 1.6784 -2.242966      2.428155 
1 1 1 5  1  28 o 181.892 1.4717 330.087  3.7548  184.998 2.2157 178.786 1.9375 6.212341       2.943324 
1 1 1 5  1  30 f 73.099  1.6130 53.515   1.6043  72.857  2.6149 73.342  1.8892 -0.4840546     3.225978 
1 1 1 5  1  32 o 112.013 1.7401 125.763  2.5477  111.608 2.9485 112.418 1.8488 -0.8102875     3.480163 
1 1 1 5  1  34 o 52.501  2.8055 26.824   1.8702  55.325  4.8002 49.677  2.9054 5.647472       5.610958 
1 1 1 5  1  36 o 93.956  1.7514 87.245   2.2169  97.281  2.8486 90.631  2.0384 6.650208       3.502810 
1 1 1 5  1  38 o 59.380  2.3998 34.680   1.8709  61.958  4.0067 56.803  2.6426 5.155464       4.799686 
1 1 1 5  1  40 o 94.811  1.9274 89.370   2.4961  97.473  3.0799 92.148  2.3181 5.324677       3.854793 
1 1 1 5  1  42 o 90.738  2.0785 82.134   2.5942  93.241  3.2816 88.235  2.5518 5.006462       4.156978 
1 1 1 5  1  44 o 21.900  5.7578 3.9918   2.2873  22.565  8.9495 21.235  7.2467 1.329370       11.51561 
1 1 1 5  1  46 o 69.781  2.8657 50.119   2.5365  68.426  4.9780 71.135  2.8405 -2.709480      5.731383 
1 1 1 5  1  48 o 64.424  4.5008 41.305   2.7991  68.149  8.4715 60.698  3.0436 7.450432       9.001678 
1 1 1 5  1  50 o 19.185  6.1068 0.6093   3.3068  21.340  9.4944 17.030  7.6828 4.309975       12.21354 
1 1 1 5  1  52 o 32.670  6.3201 15.906   2.9448  27.028  11.487 38.312  5.2742 -11.28390      12.64013 
1 1 1 5  2  1  o 168.431 1.8509 283.697  6.2351  ?       ?      168.431 1.8509 ?              ?        
1 1 1 5  2  3  o 1195.36 19.995 14330.08 478.023 ?       ?      1195.36 19.995 ?              ?        
1 1 1 5  2  5  o 1402.18 15.774 19722.70 312.547 1414.49 22.734 1389.87 21.874 24.61804       31.54837 
1 1 1 5  2  7  o 291.301 2.0938 849.687  8.5773  294.384 2.7652 288.218 3.1448 6.165985       4.187622 
1 1 1 5  2  9  o 140.028 1.1224 195.925  2.2193  141.781 1.6288 138.276 1.5448 3.504105       2.244846 
1 1 1 5  2  11 o 315.723 2.1379 997.854  9.5034  318.395 2.8468 313.051 3.1904 5.344208       4.275859 
1 1 1 5  2  13 o 306.138 1.9891 937.856  8.4180  306.759 2.4466 305.518 3.1368 1.240448       3.978135 
1 1 1 5  2  15 o 439.166 2.7605 1932.63  16.690  442.113 3.3429 436.218 4.3939 5.894653       5.521022 
1 1 1 5  2  17 o 678.693 4.2214 4610.94  40.253  681.926 5.5537 675.461 6.3590 6.464722       8.442830 
1 1 1 5  2  19 o 517.831 3.0536 2676.56  22.315  502.720 4.2261 532.943 4.4089 -30.22287      6.107259 
1 1 1 5  2  21 o 550.050 3.2796 3022.80  25.480  536.540 4.5730 563.561 4.7021 -27.02124      6.559144 
1 1 1 5  2  23 o 366.522 2.3171 1342.96  11.991  369.613 3.3738 363.430 3.1771 6.182770       4.634290 
1 1 1 5  2  25 o 164.069 1.4268 269.800  3.2654  162.202 2.2068 165.936 1.8092 -3.734451      2.853581 
1 1 1 5  2  27 o 116.379 1.2464 135.559  2.0491  114.518 1.8149 118.239 1.7089 -3.721107      2.492835 
1 1 1 5  2  29 o 226.919 1.6206 515.317  5.1901  225.783 2.3780 228.054 2.2024 -2.270523      3.241220 
1 1 1 5  2  31 o 60.092  1.8841 36.155   1.5619  59.989  2.9834 60.194  2.3018 -0.2046814     3.768145 
1 1 1 5  2  33 o 68.127  1.7113 45.931   1.6043  70.914  2.6866 65.340  2.1206 5.574081       3.422653 
1 1 1 5  2  35 o 137.559 1.6206 189.576  3.1398  136.314 2.4141 138.803 2.1628 -2.488205      3.241243 
1 1 1 5  2  37 o 110.970 1.6402 122.149  2.5143  115.083 2.5585 106.857 2.0531 8.226295       3.280358 
1 1 1 5  2  39 o 83.002  1.9840 69.991   2.2508  78.911  3.2191 87.093  2.3201 -8.181374      3.968034 
1 1 1 5  2  41 o 47.345  3.2239 23.059   1.9998  45.242  5.4871 49.448  3.3859 -4.205521      6.447702 
1 1 1 5  2  43 o 25.395  5.8084 6.4275   2.3916  23.886  9.1435 26.905  7.1656 -3.018826      11.61680 
1 1 1 5  2  45 o 37.316  5.0406 14.743   2.4520  37.842  8.4536 36.790  5.4923 1.052021       10.08115 
1 1 1 5  2  47 o 26.430  5.7481 7.7361   2.4427  23.344  9.2783 29.516  6.7878 -6.172203      11.49611 
1 1 1 5  2  49 o 33.846  5.9232 14.050   2.6042  32.082  10.486 35.610  5.5123 -3.527142      11.84644 
1 1 1 5  2  51 o 25.983  6.3541 8.7911   2.7554  24.895  10.404 27.071  7.2977 -2.175642      12.70815 
1 1 1 5  3  2  o 776.320 4.5170 6028.01  49.588  771.610 6.3672 781.028 6.4087 -9.418030      9.034003 
1 1 1 5  3  4  o 919.781 5.7169 8460.88  73.604  921.738 8.7187 917.824 7.3972 3.914063       11.43388 
1 1 1 5  3  6  o 605.914 3.9019 3676.63  33.235  599.969 5.8698 611.858 5.1424 -11.88898      7.803725 
1 1 1 5  3  8  o 461.663 2.7679 2131.62  18.067  462.399 3.9579 460.926 3.8703 1.473511       5.535704 
1 1 1 5  3  10 o 270.620 1.7950 729.500  6.8216  262.868 2.3939 278.372 2.6754 -15.50476      3.590038 
1 1 1 5  3  12 f 385.097 2.9869 1482.85  14.541  384.777 2.9708 385.417 5.1828 -0.6400757     5.973862 
1 1 1 5  3  14 o 128.484 1.1859 162.549  2.0362  123.453 1.3562 133.515 1.9458 -10.06155      2.371795 
1 1 1 5  3  16 o 139.874 1.2222 195.724  2.3538  140.060 1.4839 139.688 1.9425 0.3728485      2.444432 
1 1 1 5  3  18 o 317.767 2.7979 1009.85  17.782  317.767 2.7979 ?       ?      ?              ?        
1 1 1 5  3  20 o 485.542 2.8755 2357.45  19.734  488.815 4.1337 482.269 3.9983 6.545990       5.751020 
1 1 1 5  3  22 o 163.241 1.3118 265.064  3.0087  169.995 1.9358 156.487 1.7708 13.50764       2.623582 
1 1 1 5  3  24 o 48.334  1.9946 23.218   1.3266  49.467  3.1512 47.201  2.4462 2.265182       3.989213 
1 1 1 5  3  26 o 247.666 1.7644 613.376  6.1687  248.759 2.5761 246.573 2.4116 2.185730       3.528771 
1 1 1 5  3  28 o 117.449 1.3557 137.888  2.2501  120.889 1.9103 114.009 1.9243 6.880219       2.711431 
1 1 1 5  3  30 o 140.505 1.4527 197.446  2.8855  139.499 2.0279 141.511 2.0807 -2.011200      2.905413 
1 1 1 5  3  32 o 149.215 1.4798 222.520  3.1004  150.428 2.2260 148.003 1.9504 2.425461       2.959543 
1 1 1 5  3  34 o 136.899 1.4959 187.958  2.8820  133.901 2.2420 139.897 1.9809 -5.995789      2.991726 
1 1 1 5  3  36 o 44.506  3.2279 20.618   1.8991  40.070  5.4749 48.942  3.4209 -8.871780      6.455786 
1 1 1 5  3  38 o 142.689 1.6618 203.436  3.3236  144.835 2.5112 140.544 2.1771 4.290894       3.323572 
1 1 1 5  3  40 o 68.557  2.2970 46.860   2.0966  69.758  3.8070 67.355  2.5714 2.402473       4.594060 
1 1 1 5  3  42 o 83.375  2.2073 70.475   2.4562  81.623  3.6780 85.127  2.4415 -3.503983      4.414567 
1 1 1 5  3  44 o 36.873  4.9882 13.625   2.3513  43.227  7.7609 30.519  6.2686 12.70796       9.976312 
1 1 1 5  3  46 o 71.534  3.0255 53.474   2.8527  67.533  5.1292 75.535  3.2101 -8.001518      6.050931 
1 1 1 5  3  48 o 32.204  5.9136 12.044   2.5815  32.536  9.7260 31.872  6.7298 0.6638947      11.82726 
1 1 1 5  3  50 o 31.471  5.8740 12.806   2.6042  27.566  10.355 35.377  5.5486 -7.811058      11.74804 
1 1 1 5  3  52 o 20.413  5.6693 3.6591   2.7931  16.620  7.8282 24.205  8.2027 -7.585011      11.33869 
1 1 1 5  4  3  o 1121.52 7.4764 12587.61 118.574 1116.57 10.532 1126.47 10.614 -9.899292      14.95284 
1 1 1 5  4  5  o 698.818 4.1154 4883.80  40.657  703.590 5.8915 694.047 5.7479 9.542603       8.230891 
1 1 1 5  4  7  o 109.375 1.1037 117.358  1.5468  113.412 1.8835 105.338 1.1509 8.074371       2.207305 
1 1 1 5  4  9  o 585.413 3.7889 3424.61  31.066  589.524 5.7583 581.302 4.9260 8.221924       7.577865 
1 1 1 5  4  11 o 229.471 1.5388 526.604  4.9937  230.603 2.1781 228.339 2.1744 2.264023       3.077658 
1 1 1 5  4  13 o 191.301 1.6816 367.056  4.0838  192.334 1.6809 190.268 2.9129 2.065613       3.363107 
1 1 1 5  4  15 o 495.929 3.0731 2446.27  20.742  487.291 3.6372 504.567 4.9544 -17.27563      6.146143 
1 1 1 5  4  17 o 273.115 1.7971 736.809  6.6544  263.268 2.1271 282.961 2.8972 -19.69379      3.594229 
1 1 1 5  4  19 o 289.416 2.0677 827.391  8.2583  275.687 2.5967 303.145 3.2185 -27.45782      4.135427 
1 1 1 5  4  21 o 141.210 1.3429 196.238  2.6147  132.605 1.6979 149.814 2.0809 -17.20883      2.685758 
1 1 1 5  4  23 o 247.812 1.8257 612.653  6.3103  251.057 2.8055 244.567 2.3370 6.490189       3.651327 
1 1 1 5  4  25 o 131.893 1.2384 173.797  2.3035  133.468 1.8167 130.318 1.6834 3.149918       2.476786 
1 1 1 5  4  27 f 198.920 1.8704 396.299  5.2511  195.334 2.7487 202.507 2.5373 -7.172256      3.740727 
1 1 1 5  4  29 o 85.276  1.3751 72.771   1.6206  85.137  2.1699 85.415  1.6898 -0.2772141     2.750268 
1 1 1 5  4  31 o 85.262  1.4998 72.892   1.7599  84.578  2.3891 85.945  1.8137 -1.366814      2.999509 
1 1 1 5  4  33 o 122.112 1.4494 150.002  2.4704  118.301 2.2449 125.924 1.8339 -7.622459      2.898706 
1 1 1 5  4  35 o 102.332 1.6595 105.230  2.3163  101.020 2.6860 103.645 1.9496 -2.624863      3.318976 
1 1 1 5  4  37 o 80.014  1.9603 64.759   2.0999  77.966  3.2581 82.062  2.1809 -4.096886      3.920683 
1 1 1 5  4  39 o 88.462  1.9116 79.444   2.2950  84.811  3.1313 92.112  2.1937 -7.300194      3.823235 
1 1 1 5  4  41 o 38.456  4.3128 15.926   2.0362  34.923  7.6486 41.988  3.9874 -7.064762      8.625540 
1 1 1 5  4  43 o 23.138  5.9229 4.3512   2.3701  22.810  9.6165 23.466  6.9169 -0.6555195     11.84571 
1 1 1 5  4  45 o 32.896  5.3061 11.917   2.3039  30.158  9.2596 35.634  5.1845 -5.476034      10.61220 
1 1 1 5  4  47 o 19.037  5.4802 2.1382   2.2703  19.192  8.3152 18.883  7.1407 0.3092461      10.96043 
1 1 1 5  4  49 o 18.339  5.6112 1.4389   2.4869  21.456  8.9798 15.222  6.7311 6.233794       11.22246 
1 1 1 5  4  51 o 26.241  5.9292 9.1794   2.6915  22.317  9.4408 30.165  7.1759 -7.848160      11.85846 
1 1 1 5  5  0  o 1173.71 10.996 13786.01 258.063 1173.71 10.996 ?       ?      0.000000       0.000000 
1 1 1 5  5  2  o 1309.64 12.239 17151.88 203.746 1304.64 12.324 1314.63 21.150 -9.999146      24.47826 
1 1 1 5  5  4  o 534.995 3.2581 2862.27  24.647  539.451 4.6340 530.540 4.5812 8.910645       6.516254 
1 1 1 5  5  6  o 350.112 2.2038 1225.90  10.911  353.014 3.1073 347.210 3.1260 5.803955       4.407597 
1 1 1 5  5  8  o 450.279 3.0273 2029.25  19.055  448.749 4.6443 451.808 3.8845 -3.059357      6.054694 
1 1 1 5  5  10 o 455.089 3.2202 2071.41  20.720  450.360 4.5252 459.818 4.5827 -9.457489      6.440389 
1 1 1 5  5  12 o 137.307 1.3090 188.464  2.5350  138.021 1.9241 136.593 1.7752 1.428452       2.617911 
1 1 1 5  5  14 o 913.243 5.2909 8345.02  66.528  912.085 6.4310 914.402 8.4035 -2.316589      10.58188 
1 1 1 5  5  16 o 796.680 4.6850 6341.02  51.283  792.644 5.6666 800.717 7.4624 -8.072998      9.370055 
1 1 1 5  5  18 o 287.259 1.9023 828.705  7.5579  292.337 2.3303 282.182 3.0075 10.15518       3.804677 
1 1 1 5  5  20 o 301.465 2.0191 908.874  8.5024  301.354 2.5863 301.576 3.1013 -0.2222900     4.038145 
1 1 1 5  5  22 o 342.736 2.1202 1174.97  10.276  340.900 3.0145 344.572 2.9824 -3.672089      4.240461 
1 1 1 5  5  24 f 317.514 2.0656 1009.19  9.2659  310.059 2.9978 324.970 2.8425 -14.91040      4.131143 
1 1 1 5  5  26 o 15.469  4.3104 1.3302   1.3832  15.312  5.9867 15.626  6.2029 -0.3142509     8.620712 
1 1 1 5  5  28 o 48.684  2.0831 25.088   1.2877  42.691  3.6513 54.678  2.0061 -11.98638      4.166101 
1 1 1 5  5  30 o 101.903 1.5081 104.098  2.1646  95.785  2.2301 108.021 2.0309 -12.23605      3.016284 
1 1 1 5  5  32 o 160.126 1.5068 256.668  3.3974  159.472 2.2445 160.780 2.0108 -1.307770      3.013530 
1 1 1 5  5  34 o 130.736 1.4451 171.417  2.6356  129.160 2.2349 132.311 1.8326 -3.150833      2.890206 
1 1 1 5  5  36 o 38.892  3.8448 15.701   1.7785  37.494  6.8777 40.289  3.4391 -2.795082      7.689564 
1 1 1 5  5  38 o 98.626  1.8289 97.728   2.5350  96.188  2.7609 101.063 2.3992 -4.875114      3.657745 
1 1 1 5  5  40 o 43.644  3.4344 19.893   1.9794  39.615  5.8293 47.673  3.6330 -8.057247      6.868733 
1 1 1 5  5  42 o 24.120  5.5192 5.5962   2.0537  28.206  8.6195 20.035  6.8955 8.171207       11.03834 
1 1 1 5  5  44 o 22.868  5.6494 4.8439   2.1966  22.385  8.9271 23.352  6.9262 -0.9661446     11.29889 
1 1 1 5  5  46 o 16.308  5.1104 -2.2679  2.4436  15.442  7.4400 17.173  7.0080 -1.731039      10.22082 
1 1 1 5  5  48 o 35.181  5.5666 14.060   2.4370  34.646  9.8586 35.716  5.1726 -1.069416      11.13320 
1 1 1 5  5  50 o 23.279  5.6735 6.3335   2.4867  20.006  8.8882 26.553  7.0538 -6.546980      11.34710 
1 1 1 5  6  1  f 82.256  1.4739 67.662   2.4248  82.256  1.4739 ?       ?      ?              ?        
1 1 1 5  6  3  o 982.447 6.1775 9637.36  84.810  994.932 9.4409 969.962 7.9697 24.96979       12.35505 
1 1 1 5  6  5  o 76.493  0.9351 58.491   1.0095  72.720  1.3496 80.267  1.2947 -7.547264      1.870199 
1 1 1 5  6  7  o 876.548 5.4662 7676.43  66.883  868.219 7.0086 884.877 8.3903 -16.65851      10.93239 
1 1 1 5  6  9  o 744.797 4.6976 5540.09  48.918  753.786 7.1688 735.808 6.0729 17.97778       9.395300 
1 1 1 5  6  11 o 280.207 2.0198 784.928  7.8851  280.912 3.1239 279.503 2.5613 1.409729       4.039628 
1 1 1 5  6  13 o 308.778 2.5494 946.433  10.390  303.353 2.7976 314.203 4.2628 -10.84909      5.098850 
1 1 1 5  6  15 o 618.405 4.4006 3843.41  36.992  627.296 5.1171 609.513 7.1607 17.78210       8.801162 
1 1 1 5  6  17 o 969.068 6.4365 9394.33  81.224  967.883 6.7999 970.253 10.931 -2.369568      12.87307 
1 1 1 5  6  19 o 248.323 1.6343 618.530  5.7062  255.159 2.1495 241.487 2.4624 13.67198       3.268605 
1 1 1 5  6  21 o 311.101 2.0823 960.266  8.8156  303.411 2.4736 318.791 3.3503 -15.38058      4.164526 
1 1 1 5  6  23 o 176.254 1.4722 310.853  3.6658  181.708 2.0334 170.801 2.1295 10.90698       2.944377 
1 1 1 5  6  25 o 358.987 2.3257 1289.33  11.806  354.493 3.3060 363.480 3.2719 -8.987213      4.651392 
1 1 1 5  6  27 o 208.555 1.5860 435.186  4.6763  205.565 2.2749 211.544 2.2106 -5.979340      3.171998 
1 1 1 5  6  29 o 33.254  2.8537 11.145   1.3178  32.208  4.4812 34.299  3.5347 -2.091396      5.707463 
1 1 1 5  6  31 o 132.961 1.4368 177.171  2.6594  131.869 2.2328 134.053 1.8088 -2.184525      2.873516 
1 1 1 5  6  33 o 150.308 1.5478 225.847  3.2867  147.009 2.1599 153.607 2.2175 -6.598877      3.095555 
1 1 1 5  6  35 o 42.963  2.7848 18.305   1.6026  44.213  4.5702 41.714  3.1832 2.499592       5.569543 
1 1 1 5  6  37 o 96.492  1.7446 93.678   2.3656  92.030  2.6347 100.953 2.2875 -8.923119      3.489192 
1 1 1 5  6  39 o 120.660 2.0204 148.097  3.2489  116.125 3.3807 125.195 2.2135 -9.069839      4.040822 
1 1 1 5  6  41 o 47.080  3.3517 22.447   2.1194  47.030  5.5240 47.129  3.7974 -0.9886551E-01 6.703339 
1 1 1 5  6  43 o 35.108  4.9938 13.067   2.1966  34.072  8.7629 36.143  4.7920 -2.070625      9.987585 
1 1 1 5  6  45 o 27.935  5.4722 7.9286   2.0014  32.312  8.9757 23.559  6.2624 8.753407       10.94439 
1 1 1 5  6  47 o 27.471  5.7447 8.2606   2.2119  30.930  9.2125 24.012  6.8657 6.918106       11.48949 
1 1 1 5  6  49 o 20.124  5.1517 3.1682   2.2530  15.951  7.4304 24.298  7.1378 -8.347582      10.30335 
1 1 1 5  6  51 o 24.558  6.4004 8.0210   2.9913  31.039  10.168 18.077  7.7763 12.96190       12.80079 
1 1 1 5  7  0  o 315.793 3.1634 997.614  19.975  315.793 3.1634 ?       ?      0.000000       0.000000 
1 1 1 5  7  2  o 633.001 3.8499 4006.42  34.441  625.433 5.3631 640.569 5.5248 -15.13617      7.699714 
1 1 1 5  7  4  o 626.359 3.7834 3924.70  33.512  630.183 5.3501 622.536 5.3509 7.647156       7.566808 
1 1 1 5  7  6  o 485.471 2.9565 2357.67  20.286  484.499 4.2659 486.443 4.0945 -1.943512      5.912957 
1 1 1 5  7  8  o 245.866 1.6845 603.123  5.8426  238.260 2.3262 253.472 2.4371 -15.21269      3.369044 
1 1 1 5  7  10 o 395.053 2.4026 1561.09  13.421  394.462 3.3662 395.644 3.4291 -1.181183      4.805227 
1 1 1 5  7  12 o 383.591 2.6573 1472.30  14.218  382.934 4.1008 384.248 3.3806 -1.313904      5.314547 
1 1 1 5  7  14 o 711.229 5.1039 5058.62  48.806  710.163 5.8044 712.295 8.3969 -2.131714      10.20780 
1 1 1 5  7  16 o 521.642 3.7618 2709.91  26.524  515.017 4.3606 528.268 6.1309 -13.25116      7.523524 
1 1 1 5  7  18 o 505.086 3.6396 2576.42  25.250  523.487 4.3342 486.685 5.8481 36.80167       7.279126 
1 1 1 5  7  20 o 415.100 3.1112 1726.88  17.659  417.601 3.6912 412.598 5.0093 5.002533       6.222363 
1 1 1 5  7  22 o 387.965 2.9614 1507.12  14.709  388.582 3.0160 387.348 5.0973 1.233734       5.922766 
1 1 1 5  7  24 o 395.052 2.6695 1562.79  14.881  399.210 3.6154 390.894 3.9286 8.315460       5.339042 
1 1 1 5  7  26 o 154.820 1.5157 239.982  3.2411  154.237 2.3956 155.403 1.8575 -1.166336      3.031354 
1 1 1 5  7  28 o 190.225 1.6109 362.246  4.3292  187.280 2.3428 193.170 2.2116 -5.889954      3.221820 
1 1 1 5  7  30 o 156.378 1.4110 243.780  3.0908  159.841 2.1310 152.915 1.8500 6.925949       2.821980 
1 1 1 5  7  32 o 93.166  1.6236 86.954   2.1345  91.832  2.3890 94.501  2.1993 -2.668625      3.247165 
1 1 1 5  7  34 o 151.196 1.5015 228.797  3.1914  151.169 2.2532 151.223 1.9852 -0.5393982E-01 3.003012 
1 1 1 5  7  36 o 160.508 1.8877 257.689  4.0595  161.153 3.1167 159.863 2.1307 1.289856       3.775445 
1 1 1 5  7  38 o 47.537  2.8207 22.320   1.7764  49.428  4.6720 45.646  3.1620 3.781975       5.641452 
1 1 1 5  7  40 o 44.719  3.2037 20.185   1.9211  44.763  5.2878 44.675  3.6184 0.8870697E-01  6.407343 
1 1 1 5  7  42 o 35.833  4.6295 13.193   2.0244  36.408  8.1353 35.258  4.4210 1.150181       9.258986 
1 1 1 5  7  44 f 34.922  4.8999 13.016   2.1347  34.303  8.5933 35.541  4.7107 -1.237778      9.799788 
1 1 1 5  7  46 o 25.166  6.0383 6.3285   2.3326  29.966  9.7562 20.366  7.1177 9.600506       12.07664 
1 1 1 5  7  48 f 29.502  5.4113 10.671   2.3650  24.676  9.2912 34.327  5.5500 -9.650999      10.82260 
1 1 1 5  7  50 o 21.035  5.8050 4.1096   2.6680  19.056  8.7951 23.014  7.5788 -3.957952      11.60996 
1 1 1 5  8  1  o 305.197 2.1002 931.626  9.0640  302.917 2.9922 307.476 2.9479 -4.558868      4.200396 
1 1 1 5  8  3  o 371.429 2.4241 1379.80  12.722  371.081 3.3449 371.777 3.5095 -0.6959839     4.848211 
1 1 1 5  8  5  o 586.160 3.5135 3437.01  29.122  581.425 4.9548 590.894 4.9829 -9.469177      7.027012 
1 1 1 5  8  7  o 330.335 2.1313 1090.22  9.9447  323.618 2.9614 337.052 3.0660 -13.43457      4.262657 
1 1 1 5  8  9  o 241.706 1.6213 584.104  5.5399  244.309 2.3158 239.104 2.2697 5.205627       3.242589 
1 1 1 5  8  11 o 1135.66 6.8837 12920.63 109.617 1135.19 10.441 1136.13 8.9739 -0.9355469     13.76747 
1 1 1 5  8  13 o 1290.72 9.2820 16716.62 166.921 1299.94 11.729 1281.50 14.389 18.43555       18.56394 
1 1 1 5  8  15 o 507.027 3.9344 2563.33  26.350  503.194 4.3024 510.860 6.5885 -7.665314      7.868869 
1 1 1 5  8  17 o 352.547 2.7349 1240.22  12.931  350.350 3.0979 354.744 4.5080 -4.394012      5.469850 
1 1 1 5  8  19 f 310.099 2.5718 951.345  10.546  302.149 2.8470 318.048 4.2839 -15.89926      5.143630 
1 1 1 5  8  21 o 216.292 1.9736 467.951  5.7648  216.340 2.2683 216.244 3.2304 0.9556580E-01  3.947262 
1 1 1 5  8  23 o 91.271  1.8466 81.287   2.2262  86.090  2.0789 96.452  3.0527 -10.36169      3.693286 
1 1 1 5  8  25 o 21.839  4.1117 4.9921   0.9962  24.262  2.6175 19.417  7.7958 4.845345       8.223462 
1 1 1 5  8  27 o 140.202 1.8182 198.237  3.0530  141.931 1.6271 138.473 3.2520 3.458710       3.636312 
1 1 1 5  8  29 f 135.386 1.6431 183.270  3.1440  138.113 2.3408 132.659 2.3065 5.453964       3.286281 
1 1 1 5  8  31 o 272.192 1.9880 741.552  7.6407  272.914 2.8981 271.470 2.7221 1.443634       3.976045 
1 1 1 5  8  33 o 225.775 1.8098 510.358  5.7640  225.420 2.6635 226.130 2.4509 -0.7099609     3.619612 
1 1 1 5  8  35 o 34.001  3.7794 10.846   1.6532  40.888  5.7891 27.115  4.8603 13.77321       7.558833 
1 1 1 5  8  37 o 55.258  2.6748 30.700   1.8870  55.048  4.6146 55.467  2.7062 -0.4192886     5.349524 
1 1 1 5  8  39 o 16.189  4.8040 0.5329   1.7764  17.030  7.3710 15.349  6.1629 1.680285       9.607956 
1 1 1 5  8  41 o 22.181  5.2273 4.7458   1.8709  21.911  8.2800 22.450  6.3829 -0.5384750     10.45466 
1 1 1 5  8  43 o 43.538  4.0430 19.264   2.1785  43.952  7.0931 43.125  3.8823 0.8266449      8.086064 
1 1 1 5  8  45 o 39.200  4.4890 15.682   2.1785  42.002  7.7103 36.398  4.5997 5.603939       8.978098 
1 1 1 5  8  47 o 30.408  5.5365 10.293   2.3134  35.363  8.4328 25.453  7.1764 9.909374       11.07308 
1 1 1 5  8  49 o 23.946  6.3329 6.6785   2.5529  27.300  10.330 20.591  7.3290 6.709457       12.66572 
1 1 1 5  8  51 o 19.170  8.3913 2.8866   6.1196  ?       ?      19.170  8.3913 ?              ?        
1 1 1 5  9  0  o 158.182 1.8619 250.327  5.8887  158.182 1.8619 ?       ?      0.000000       0.000000 
1 1 1 5  9  2  o 130.833 1.1698 170.943  2.1615  134.164 1.6782 127.501 1.6301 6.662575       2.339562 
1 1 1 5  9  4  f 435.245 2.7575 1894.88  16.972  433.157 3.8785 437.332 3.9207 -4.175262      5.514964 
1 1 1 5  9  6  o 270.339 1.7593 730.962  6.7257  270.905 2.4721 269.773 2.5038 1.132202       3.518569 
1 1 1 5  9  8  o 318.195 2.0850 1012.78  9.3814  316.090 2.9771 320.300 2.9200 -4.209747      4.170057 
1 1 1 5  9  10 o 732.361 4.2254 5366.92  43.760  733.971 5.9308 730.750 6.0201 3.220886       8.450789 
1 1 1 5  9  12 o 593.706 3.5412 3525.82  29.731  598.859 4.9937 588.554 5.0223 10.30548       7.082423 
1 1 1 5  9  14 o 329.112 2.6760 1077.98  10.893  326.391 2.5648 331.833 4.6975 -5.441956      5.352031 
1 1 1 5  9  16 o 156.684 1.8456 241.892  3.8301  151.197 2.0619 162.171 3.0616 -10.97357      3.691161 
1 1 1 5  9  18 o 281.756 2.4376 796.616  9.2109  284.216 2.7422 279.296 4.0308 4.920135       4.875143 
1 1 1 5  9  20 o 196.380 1.9691 383.048  5.0953  193.257 2.1509 199.503 3.2989 -6.245148      3.938185 
1 1 1 5  9  22 o 274.733 2.4220 750.345  8.5985  271.211 2.5331 278.254 4.1289 -7.042389      4.843997 
1 1 1 5  9  24 f 110.001 2.0210 122.661  3.0863  119.974 2.5023 100.028 3.1744 19.94614       4.042034 
1 1 1 5  9  26 o 228.260 2.1469 520.292  6.1071  227.479 2.0811 229.042 3.7557 -1.563004      4.293735 
1 1 1 5  9  28 o 187.127 1.9563 349.061  4.6717  185.772 1.9889 188.482 3.3693 -2.710068      3.912561 
1 1 1 5  9  30 o 196.598 1.6316 388.561  4.3921  199.801 1.9360 193.394 2.6270 6.406799       3.263277 
1 1 1 5  9  32 o 66.455  1.9867 44.461   1.7411  67.340  2.1433 65.571  3.3457 1.768402       3.973371 
1 1 1 5  9  34 o 41.958  3.1450 17.276   1.7320  39.868  3.4754 44.049  5.2426 -4.181164      6.289925 
1 1 1 5  9  36 o 31.152  4.6553 10.655   1.9211  36.335  4.4488 25.968  8.1789 10.36740       9.310583 
1 1 1 5  9  38 o 37.468  3.6979 13.903   1.9018  34.841  4.6396 40.095  5.7595 -5.253841      7.395845 
1 1 1 5  9  40 o 77.506  2.1144 60.540   2.2187  78.166  2.4373 76.846  3.4559 1.320641       4.228891 
1 1 1 5  9  42 o 100.194 2.2006 100.913  3.1079  101.741 3.2344 98.646  2.9847 3.094223       4.401170 
1 1 1 5  9  44 o 24.906  6.1634 6.2165   2.6768  25.536  8.9464 24.275  8.4802 1.261766       12.32690 
1 1 1 5  9  46 o 45.477  3.8745 22.161   2.4028  48.938  4.4828 42.016  6.3206 6.922134       7.748936 
1 1 1 5  9  48 o 47.569  4.1496 24.652   2.7497  43.278  5.6027 51.861  6.1227 -8.582405      8.299265 
1 1 1 5  9  50 o 22.608  6.4642 6.5003   3.1831  22.973  9.4246 22.242  8.8500 0.7312984      12.92848 
1 1 1 5  10 1  o 584.108 3.5538 3413.14  29.344  588.380 5.0925 579.836 4.9584 8.544067       7.107679 
1 1 1 5  10 3  o 854.125 4.9874 7303.61  60.235  863.663 7.0589 844.587 7.0475 19.07544       9.974727 
1 1 1 5  10 5  o 390.197 2.5631 1522.06  14.129  394.920 3.6985 385.474 3.5495 9.445984       5.126246 
1 1 1 5  10 7  f 134.734 1.1513 181.454  2.1923  136.340 1.6514 133.127 1.6046 3.213303       2.302560 
1 1 1 5  10 9  o 600.773 3.4961 3610.56  29.703  601.080 4.9657 600.467 4.9227 0.6129761      6.992166 
1 1 1 5  10 11 o 559.144 3.2856 3126.68  25.969  556.627 4.5740 561.661 4.7180 -5.033264      6.571199 
1 1 1 5  10 13 o 97.577  1.1912 96.203   1.5979  101.542 1.4214 93.613  1.9118 7.928909       2.382305 
1 1 1 5  10 15 o 776.055 5.4142 6012.01  53.933  772.250 5.5620 779.859 9.2907 -7.608459      10.82832 
1 1 1 5  10 17 o 337.904 2.6675 1140.68  12.143  336.750 3.0516 339.058 4.3760 -2.307983      5.334967 
1 1 1 5  10 19 o 600.240 4.3689 3602.20  35.638  598.253 5.1146 602.227 7.0844 -3.974060      8.737716 
1 1 1 5  10 21 o 470.145 3.5161 2209.73  22.202  468.631 3.9915 471.659 5.7896 -3.028137      7.032191 
1 1 1 5  10 23 o 231.595 2.6328 540.717  7.3612  234.331 2.3898 228.858 4.6921 5.472977       5.265612 
1 1 1 5  10 25 o 102.784 1.8945 107.006  2.6147  106.358 2.1170 99.209  3.1424 7.148827       3.788946 
1 1 1 5  10 27 o 164.094 2.0716 271.715  4.4020  166.988 2.1435 161.201 3.5456 5.787460       4.143155 
1 1 1 5  10 29 o 89.510  2.2266 79.050   2.5980  86.733  2.3963 92.288  3.7534 -5.554955      4.453107 
1 1 1 5  10 31 o 317.898 3.4550 1007.22  12.698  315.225 2.9487 320.571 6.2492 -5.345428      6.909923 
1 1 1 5  10 33 o 124.125 2.0409 153.491  2.9212  123.281 1.7327 124.969 3.6958 -1.688065      4.081800 
1 1 1 5  10 35 o 116.366 1.6276 134.687  2.5754  113.965 1.9250 118.768 2.6249 -4.803352      3.255117 
1 1 1 5  10 37 o 92.117  2.1283 81.828   2.3990  86.439  2.0705 97.795  3.7191 -11.35562      4.256633 
1 1 1 5  10 39 o 46.294  3.2624 21.230   2.0596  43.336  3.9966 49.253  5.1575 -5.916634      6.524790 
1 1 1 5  10 41 o 18.315  5.2381 1.6687   2.0594  17.653  6.9388 18.978  7.8489 -1.325081      10.47624 
1 1 1 5  10 43 o 17.622  5.3090 0.2110   2.2950  14.842  6.6329 20.403  8.2914 -5.561574      10.61806 
1 1 1 5  10 45 o 34.487  5.2410 13.234   2.4610  33.214  6.9983 35.761  7.8037 -2.546967      10.48203 
1 1 1 5  10 47 o 38.722  4.7707 17.005   2.5192  39.092  5.9073 38.353  7.4927 0.7392578      9.541334 
1 1 1 5  10 49 o 24.436  5.9945 6.7037   2.9729  17.617  7.9695 31.255  8.9567 -13.63835      11.98897 
1 1 1 5  11 0  o 461.045 4.0203 2126.51  37.064  461.045 4.0203 ?       ?      0.000000       0.000000 
1 1 1 5  11 2  o 447.418 2.8787 2001.97  18.209  455.235 4.0709 439.602 4.0712 15.63309       5.757312 
1 1 1 5  11 4  o 374.618 2.4305 1403.89  12.873  376.569 3.3882 372.668 3.4856 3.900543       4.860995 
1 1 1 5  11 6  o 401.543 2.5415 1612.22  14.427  405.575 3.6298 397.512 3.5582 8.062500       5.082992 
1 1 1 5  11 8  o 582.745 3.4572 3396.87  28.490  578.154 4.9029 587.336 4.8754 -9.182007      6.914386 
1 1 1 5  11 10 o 769.318 4.4548 5920.21  48.452  765.407 6.2227 773.230 6.3763 -7.822937      8.909510 
1 1 1 5  11 12 o 773.949 4.4255 5993.00  48.437  777.693 6.2358 770.205 6.2814 7.488342       8.851038 
1 1 1 5  11 14 o 255.365 1.7420 653.966  6.1581  258.374 2.1451 252.356 2.7453 6.018463       3.483947 
1 1 1 5  11 16 f 150.551 1.8024 220.455  3.1203  144.921 1.5537 156.181 3.2529 -11.26050      3.604898 
1 1 1 5  11 18 o 438.691 3.2954 1918.96  19.593  434.309 3.8417 443.073 5.3553 -8.764008      6.590736 
1 1 1 5  11 20 o 200.529 2.1633 403.002  6.1191  207.439 2.9223 193.618 3.1905 13.82062       4.326519 
1 1 1 5  11 22 o 211.752 2.3473 444.411  6.2468  208.224 2.3290 215.280 4.0762 -7.055832      4.694660 
1 1 1 5  11 24 o 81.450  2.1924 66.078   2.3737  80.539  2.4372 82.361  3.6450 -1.822083      4.384746 
1 1 1 5  11 26 o 146.575 2.0020 213.310  3.8472  144.057 2.1641 149.093 3.3688 -5.036255      4.004060 
1 1 1 5  11 28 o 143.719 2.0619 207.195  4.1054  144.982 2.5485 142.456 3.2421 2.525711       4.123855 
1 1 1 5  11 30 o 43.713  5.9162 20.253   3.4391  39.160  9.9910 48.266  6.3394 -9.106632      11.83247 
1 1 1 5  11 32 o 211.752 2.3316 447.456  6.5907  209.639 2.6162 213.865 3.8602 -4.225540      4.663258 
1 1 1 5  11 34 o 158.146 2.0534 246.387  3.7377  154.576 1.7554 161.715 3.7128 -7.139603      4.106854 
1 1 1 5  11 36 o 123.011 1.9596 147.660  2.8856  118.194 1.8073 127.828 3.4776 -9.633713      3.919213 
1 1 1 5  11 38 o 24.342  5.6879 5.5298   2.0172  23.395  6.1052 25.289  9.5987 -1.894426      11.37576 
1 1 1 5  11 40 o 65.540  3.0732 44.592   2.3220  68.154  2.5412 62.926  5.5965 5.228725       6.146485 
1 1 1 5  11 42 o 27.491  6.7681 6.6453   2.7388  27.409  6.5990 27.573  11.819 -0.1643333     13.53620 
1 1 1 5  11 44 o 22.468  5.5000 3.3185   2.5529  26.864  7.0161 18.072  8.4720 8.791931       11.00001 
1 1 1 5  11 46 o 22.560  6.4621 4.0453   2.9378  21.244  7.8342 23.876  10.279 -2.632399      12.92426 
1 1 1 5  11 48 o 20.362  6.4952 0.9699   3.6371  19.475  8.0936 21.248  10.161 -1.773731      12.99035 
1 1 1 5  11 50 o 24.961  12.015 9.8145   17.666  24.961  12.015 ?       ?      ?              ?        
1 1 1 5  12 1  o 553.134 3.3987 3060.70  26.586  554.966 4.7853 551.302 4.8276 3.663940       6.797417 
1 1 1 5  12 3  o 233.954 1.7862 543.568  5.8667  221.618 2.4227 246.291 2.6254 -24.67279      3.572379 
1 1 1 5  12 5  o 474.436 2.9422 2249.09  19.720  484.100 4.2217 464.771 4.0991 19.32877       5.884363 
1 1 1 5  12 7  o 882.992 5.0652 7800.27  63.221  880.024 7.0458 885.961 7.2788 -5.936523      10.13031 
1 1 1 5  12 9  o 470.399 2.8515 2213.09  18.955  470.771 4.1205 470.026 3.9428 0.7446289      5.702968 
1 1 1 5  12 11 o 812.776 4.7538 6607.57  54.613  804.857 6.6278 820.696 6.8165 -15.83807      9.507508 
1 1 1 5  12 13 o 370.689 2.5345 1363.28  12.798  361.364 3.0195 380.014 4.0715 -18.64935      5.068973 
1 1 1 5  12 15 o 1125.43 6.9426 12657.23 108.978 1109.99 8.8888 1140.87 10.667 -30.88391      13.88528 
1 1 1 5  12 17 o 375.560 2.5578 1411.25  13.537  376.511 3.4347 374.608 3.7912 1.902313       5.115698 
1 1 1 5  12 19 o 344.609 2.6136 1170.93  11.493  335.100 2.6876 354.119 4.4834 -19.01822      5.227214 
1 1 1 5  12 21 o 196.620 2.0393 381.470  5.3120  190.265 2.2757 202.974 3.3847 -12.70918      4.078648 
1 1 1 5  12 23 o 198.621 2.0234 391.289  5.3376  194.458 2.2564 202.785 3.3594 -8.327240      4.046834 
1 1 1 5  12 25 o 51.950  3.6508 27.565   2.3513  53.701  3.4402 50.199  6.4403 3.501369       7.301577 
1 1 1 5  12 27 o 181.602 2.1041 324.460  4.9499  175.198 2.2408 188.005 3.5621 -12.80644      4.208292 
1 1 1 5  12 29 o 210.421 2.2538 441.221  6.2650  208.018 2.4701 212.823 3.7706 -4.804840      4.507647 
1 1 1 5  12 31 o 83.175  2.3966 66.988   2.5005  78.262  2.4343 88.089  4.1289 -9.826675      4.793144 
1 1 1 5  12 33 o 108.215 2.3402 115.051  3.4453  101.497 2.8440 114.933 3.7171 -13.43597      4.680327 
1 1 1 5  12 35 o 99.916  2.5140 98.690   3.3617  96.119  2.8830 103.714 4.1192 -7.594879      5.027913 
1 1 1 5  12 37 o 26.569  6.6453 5.9958   3.0903  21.601  8.4623 31.536  10.248 -9.934498      13.29058 
1 1 1 5  12 39 o 61.755  3.2057 42.004   1.9108  67.708  1.9611 55.802  6.1041 11.90591       6.411355 
1 1 1 5  12 41 f 54.790  3.4108 27.563   2.1443  47.512  3.1593 62.068  6.0459 -14.55634      6.821612 
1 1 1 5  12 43 o 46.540  5.1257 22.296   2.2443  45.665  3.2871 47.415  9.7102 -1.750481      10.25145 
1 1 1 5  12 45 o 18.276  5.5355 0.6014   2.4236  17.879  6.9585 18.672  8.6107 -0.7935753     11.07093 
1 1 1 5  12 47 o 26.864  6.2861 8.9361   2.8990  29.832  7.3841 23.896  10.175 5.935884       12.57221 
1 1 1 5  12 49 o 24.937  7.1689 9.4982   3.9802  25.811  10.183 24.063  10.093 1.747671       14.33775 
1 1 1 5  13 0  o 548.204 4.7925 3006.35  52.536  548.204 4.7925 ?       ?      0.000000       0.000000 
1 1 1 5  13 2  o 507.449 3.1694 2574.01  22.732  496.751 4.4628 518.146 4.5014 -21.39429      6.338734 
1 1 1 5  13 4  o 271.404 1.9106 736.701  7.3302  271.830 2.6548 270.978 2.7484 0.8515930      3.821182 
1 1 1 5  13 6  o 135.756 1.3079 183.919  2.5031  132.694 1.7838 138.817 1.9131 -6.123230      2.615701 
1 1 1 5  13 8  o 531.074 3.1822 2820.35  23.892  526.054 4.4557 536.094 4.5445 -10.03931      6.364435 
1 1 1 5  13 10 o 204.445 1.5078 416.859  4.3357  208.991 2.2376 199.900 2.0216 9.090897       3.015583 
1 1 1 5  13 12 o 466.056 2.8763 2166.34  18.884  452.797 3.9143 479.315 4.2157 -26.51736      5.752697 
1 1 1 5  13 14 o 480.397 2.9999 2304.69  19.960  476.857 3.7289 483.936 4.7003 -7.078583      5.999807 
1 1 1 5  13 16 o 510.573 3.2872 2596.28  23.421  498.347 4.2400 522.799 5.0245 -24.45126      6.574472 
1 1 1 5  13 18 o 332.691 2.7404 1118.01  11.854  339.543 2.8565 325.839 4.6776 13.70343       5.480797 
1 1 1 5  13 20 o 66.091  2.3439 43.914   1.4063  66.410  1.3909 65.771  4.4767 0.6395416      4.687778 
1 1 1 5  13 22 o 304.807 2.8364 924.437  11.253  300.977 3.0115 308.636 4.8073 -7.658966      5.672723 
1 1 1 5  13 24 o 216.945 2.3905 471.641  6.9093  217.622 2.6529 216.267 3.9775 1.354523       4.781062 
1 1 1 5  13 26 o 111.888 2.1428 125.903  3.1196  113.024 2.2475 110.753 3.6489 2.270706       4.285532 
1 1 1 5  13 28 o 73.905  2.6817 54.603   2.6083  73.545  2.9045 74.264  4.5089 -0.7184830     5.363385 
1 1 1 5  13 30 o 82.322  2.7079 67.513   3.0106  80.920  3.1392 83.724  4.4131 -2.804703      5.415751 
1 1 1 5  13 32 o 53.769  3.5449 28.903   2.6321  52.524  4.3966 55.014  5.5619 -2.489994      7.089764 
1 1 1 5  13 34 o 51.818  4.1218 26.569   2.9515  47.499  5.3479 56.136  6.2734 -8.637161      8.243584 
1 1 1 5  13 36 o 101.659 2.8270 101.468  3.7281  96.654  3.0463 106.663 4.7631 -10.00841      5.653916 
1 1 1 5  13 38 o 27.152  6.9233 6.7037   3.3475  26.694  9.0584 27.611  10.473 -0.9172230     13.84659 
1 1 1 5  13 40 o 24.457  6.7220 4.2633   3.3574  25.224  9.3318 23.690  9.6777 1.534182       13.44398 
1 1 1 5  13 42 o 29.969  6.9908 8.4289   3.7885  21.909  9.2801 38.029  10.458 -16.12008      13.98165 
1 1 1 5  13 44 o 20.506  6.4142 -3.3261  3.7983  14.485  7.0673 26.527  10.706 -12.04130      12.82841 
1 1 1 5  13 46 o 20.694  6.1098 3.4617   2.1127  16.079  6.1535 25.309  10.557 -9.230440      12.21951 
1 1 1 5  13 48 o 22.559  6.9259 4.8804   4.0917  21.975  9.5624 23.143  10.021 -1.168081      13.85171 
1 1 1 5  14 1  o 834.758 4.8830 6972.21  57.646  834.330 6.9058 835.187 6.9056 -0.8570557     9.766099 
1 1 1 5  14 3  o 943.284 5.3683 8901.54  71.587  952.264 7.6753 934.305 7.5077 17.95984       10.73665 
1 1 1 5  14 5  o 1061.06 6.0172 11267.72 90.279  1067.44 8.5671 1054.68 8.4518 12.76074       12.03440 
1 1 1 5  14 7  o 944.182 5.3937 8921.66  72.019  948.871 7.6297 939.493 7.6260 9.377869       10.78743 
1 1 1 5  14 9  o 341.154 2.2796 1163.95  10.996  339.945 3.1928 342.363 3.2545 -2.418549      4.559148 
1 1 1 5  14 11 o 176.428 1.4000 311.299  3.4926  176.199 1.9987 176.657 1.9608 -0.4583588     2.799927 
1 1 1 5  14 13 o 460.915 2.9475 2105.11  18.206  449.492 3.3651 472.337 4.8402 -22.84561      5.895020 
1 1 1 5  14 15 o 349.207 2.5717 1219.58  12.697  353.370 3.6596 345.043 3.6141 8.327301       5.143397 
1 1 1 5  14 17 f 101.221 1.4240 102.335  1.9794  100.738 1.7193 101.703 2.2706 -0.9650955     2.848092 
1 1 1 5  14 19 o 268.585 2.2758 725.113  8.0730  271.588 2.4658 265.581 3.8259 6.006897       4.551698 
1 1 1 5  14 21 o 236.117 2.1439 552.914  6.3385  232.476 2.1109 239.759 3.7323 -7.282990      4.287865 
1 1 1 5  14 23 o 252.329 2.3366 631.177  7.9392  245.760 2.7015 258.897 3.8132 -13.13745      4.673166 
1 1 1 5  14 25 o 111.013 2.1214 123.641  3.2259  111.887 2.5283 110.139 3.4071 1.747612       4.242765 
1 1 1 5  14 27 o 287.546 2.6858 830.563  10.339  289.613 3.0101 285.479 4.4490 4.133759       5.371646 
1 1 1 5  14 29 o 95.548  2.1249 91.054   2.8085  93.995  2.6411 97.102  3.3295 -3.107010      4.249827 
1 1 1 5  14 31 o 23.907  6.5084 3.8745   3.0908  23.900  8.8798 23.913  9.5175 -0.1224518E-01 13.01672 
1 1 1 5  14 33 o 92.920  2.5279 85.495   3.1449  89.729  2.8953 96.110  4.1448 -6.380966      5.055877 
1 1 1 5  14 35 o 24.673  6.8679 3.7264   3.2635  20.755  8.2955 28.591  10.948 -7.835291      13.73572 
1 1 1 5  14 37 o 65.840  3.6165 43.652   3.2678  64.317  4.3984 67.364  5.7421 -3.046890      7.233047 
1 1 1 5  14 39 o 69.270  4.2501 50.337   3.7775  73.488  4.2423 65.053  7.3660 8.434647       8.500255 
1 1 1 5  14 41 o 80.248  3.2455 66.200   3.5922  82.279  3.9293 78.218  5.1667 4.061127       6.491084 
1 1 1 5  14 43 o 17.079  5.7643 -7.2743  3.6437  15.003  7.1849 19.155  9.0160 -4.152704      11.52868 
1 1 1 5  14 45 o 18.532  5.9800 -2.8539  3.6149  19.923  8.6738 17.140  8.2344 2.783117       11.95991 
1 1 1 5  14 47 o 25.032  7.1083 8.0943   3.9528  27.595  10.357 22.469  9.7384 5.125881       14.21657 
1 1 1 5  15 0  o 598.617 5.0834 3584.83  60.850  598.617 5.0834 ?       ?      0.000000       0.000000 
1 1 1 5  15 2  o 754.062 4.4173 5686.77  47.084  744.766 6.1781 763.359 6.3150 -18.59320      8.834544 
1 1 1 5  15 4  o 745.825 4.3734 5564.93  46.116  748.911 6.2596 742.739 6.1095 6.171570       8.746893 
1 1 1 5  15 6  o 98.741  1.5112 97.411   2.0973  99.471  2.2635 98.011  2.0027 1.460770       3.022339 
1 1 1 5  15 8  o 374.815 2.4189 1402.78  12.766  369.083 3.2536 380.548 3.5803 -11.46518      4.837800 
1 1 1 5  15 10 o 221.454 1.6959 490.448  5.3107  220.516 2.3824 222.393 2.4142 -1.876389      3.391836 
1 1 1 5  15 12 o 179.322 1.6161 321.370  4.0957  183.008 2.3029 175.637 2.2680 7.371292       3.232231 
1 1 1 5  15 14 o 898.512 5.5482 8081.22  69.957  890.933 7.2900 906.090 8.3659 -15.15649      11.09648 
1 1 1 5  15 16 o 262.325 2.1445 691.469  7.7141  266.508 2.5562 258.142 3.4441 8.366058       4.289068 
1 1 1 5  15 18 o 175.484 1.8934 301.865  4.1041  169.614 1.8380 181.354 3.3107 -11.73993      3.786734 
1 1 1 5  15 20 o 340.278 2.3362 1156.92  11.081  337.622 2.9753 342.933 3.6027 -5.310791      4.672453 
1 1 1 5  15 22 o 101.817 2.1626 108.218  2.3926  107.228 1.6152 96.406  4.0123 10.82220       4.325203 
1 1 1 5  15 24 o 148.055 2.1662 219.665  4.1854  148.421 2.2950 147.688 3.6745 0.7326202      4.332314 
1 1 1 5  15 26 o 140.083 2.0997 198.193  3.7862  142.633 2.1452 137.533 3.6100 5.100067       4.199339 
1 1 1 5  15 28 o 104.582 3.0399 107.164  3.7150  101.260 2.6797 107.905 5.4573 -6.645073      6.079703 
1 1 1 5  15 30 o 225.786 2.4182 510.849  7.3283  225.715 2.7368 225.857 3.9876 -0.1419525     4.836405 
1 1 1 5  15 32 o 188.971 2.1584 359.108  5.6449  191.395 2.6544 186.548 3.4042 4.846008       4.316811 
1 1 1 5  15 34 o 78.141  3.3559 60.938   3.4309  76.649  3.6154 79.634  5.6547 -2.985764      6.711730 
1 1 1 5  15 36 o 138.954 2.3999 194.308  4.5167  139.294 2.7769 138.614 3.9151 0.6802521      4.799891 
1 1 1 5  15 38 o 19.864  6.1580 -1.1546  3.2087  16.698  7.5906 23.030  9.6987 -6.331982      12.31595 
1 1 1 5  15 40 o 29.336  6.9316 8.9908   3.4024  30.759  9.1178 27.913  10.443 2.845411       13.86312 
1 1 1 5  15 42 o 25.346  7.0031 5.1741   3.6149  21.776  9.0381 28.916  10.700 -7.139071      14.00614 
1 1 1 5  15 44 o 37.391  6.6493 16.999   3.5645  31.679  9.6783 43.102  9.1204 -11.42303      13.29852 
1 1 1 5  15 46 o 23.160  7.0725 4.3382   4.1724  19.396  8.8032 26.924  11.072 -7.528208      14.14494 
1 1 1 5  15 48 o 20.495  6.6028 3.2061   4.1947  19.133  8.8170 21.858  9.8310 -2.724981      13.20565 
1 1 1 5  16 1  o 137.219 1.3387 188.236  2.5967  138.649 1.9154 135.789 1.8707 2.860611       2.677372 
1 1 1 5  16 3  o 104.790 1.5778 109.590  2.3292  106.911 2.3220 102.670 2.1368 4.241028       3.155571 
1 1 1 5  16 5  f 294.415 2.0023 863.874  8.3063  283.300 2.7511 305.530 2.9099 -22.23053      4.004542 
1 1 1 5  16 7  o 428.542 2.8244 1837.03  17.116  431.908 3.9967 425.175 3.9921 6.733276       5.648896 
1 1 1 5  16 9  o 510.711 3.0578 2609.23  22.074  509.670 4.2478 511.752 4.3997 -2.082275      6.115638 
1 1 1 5  16 11 o 470.347 2.8295 2213.29  18.820  469.440 3.9846 471.254 4.0183 -1.813843      5.658916 
1 1 1 5  16 13 o 265.262 2.3083 703.573  8.6537  268.600 3.3100 261.924 3.2181 6.675720       4.616530 
1 1 1 5  16 15 o 500.009 3.2476 2500.71  22.106  499.025 3.8178 500.994 5.2547 -1.968994      6.495206 
1 1 1 5  16 17 o 173.496 1.8834 302.045  4.1147  174.477 1.8530 172.514 3.2796 1.963409       3.766860 
1 1 1 5  16 19 o 308.994 2.2463 950.642  9.5433  303.430 2.7398 314.559 3.5606 -11.12854      4.492691 
1 1 1 5  16 21 f 212.160 1.8205 450.343  5.2681  212.137 2.1500 212.183 2.9385 -0.4568481E-01 3.641068 
1 1 1 5  16 23 o 238.852 1.8331 570.402  6.0497  237.933 2.2566 239.770 2.8894 -1.837112      3.666136 
1 1 1 5  16 25 o 81.273  2.4395 68.781   1.4072  83.850  1.0328 78.697  4.7684 5.153145       4.878996 
1 1 1 5  16 27 o 135.840 2.1816 184.268  3.8908  135.011 2.3519 136.669 3.6751 -1.657364      4.363215 
1 1 1 5  16 29 o 19.275  5.6577 -1.1558  2.8311  21.955  8.1295 16.595  7.8708 5.360302       11.31544 
1 1 1 5  16 31 o 93.435  3.5249 84.311   3.9346  87.821  3.2869 99.048  6.2367 -11.22697      7.049854 
1 1 1 5  16 33 f 77.493  2.8614 58.560   3.0063  70.573  3.5176 84.412  4.5140 -13.83926      5.722712 
1 1 1 5  16 35 o 36.793  6.7679 14.476   3.4220  36.450  7.9799 37.136  10.933 -0.6858826     13.53590 
1 1 1 5  16 37 o 22.428  6.5822 1.8763   3.3677  21.918  8.7497 22.938  9.8358 -1.020084      13.16433 
1 1 1 5  16 39 o 26.898  7.2497 5.9753   3.6135  23.601  8.9883 30.195  11.377 -6.593855      14.49939 
1 1 1 5  16 41 o 46.767  6.6351 25.646   3.9515  52.065  6.2096 41.470  11.728 10.59487       13.27014 
1 1 1 5  16 43 o 34.130  7.2767 14.607   4.0470  39.342  9.3667 28.919  11.139 10.42333       14.55344 
1 1 1 5  16 45 o 19.360  6.5708 -4.5359  4.4683  16.052  7.6772 22.668  10.666 -6.616137      13.14169 
1 1 1 5  16 47 o 17.364  5.8515 -3.4523  4.0122  17.961  8.4615 16.767  8.0847 1.193800       11.70293 
1 1 1 5  17 0  o 523.549 4.4777 2742.28  46.879  523.549 4.4777 ?       ?      0.000000       0.000000 
1 1 1 5  17 2  o 268.461 1.8704 720.801  7.1006  267.451 2.6335 269.472 2.6566 -2.020721      3.740711 
1 1 1 5  17 4  o 21.949  4.5829 4.8822   1.5163  21.488  6.8909 22.410  6.0439 -0.9220715     9.165833 
1 1 1 5  17 6  o 162.038 1.4803 263.418  3.3771  154.217 2.2087 169.858 1.9713 -15.64140      2.960501 
1 1 1 5  17 8  o 492.898 3.0352 2429.63  21.145  486.685 4.2349 499.110 4.3492 -12.42477      6.070387 
1 1 1 5  17 10 o 230.510 1.8635 530.656  6.0174  232.746 2.8277 228.274 2.4279 4.472565       3.727059 
1 1 1 5  17 12 o 63.689  2.2852 41.577   1.9713  58.247  3.7664 69.130  2.5889 -10.88282      4.570366 
1 1 1 5  17 14 o 140.384 1.4853 198.481  2.8923  144.992 1.8316 135.775 2.3386 9.217102       2.970518 
1 1 1 5  17 16 o 271.723 2.4749 741.884  8.6718  274.030 2.5492 269.415 4.2429 4.614746       4.949811 
1 1 1 5  17 18 o 151.838 1.5598 228.785  3.2089  148.292 1.8298 155.383 2.5265 -7.090744      3.119523 
1 1 1 5  17 20 o 246.273 1.8922 608.590  6.5159  250.446 2.4204 242.101 2.9093 8.344711       3.784482 
1 1 1 5  17 22 o 171.639 1.6430 293.821  3.8617  169.722 1.9729 173.555 2.6279 -3.832535      3.286070 
1 1 1 5  17 24 o 150.375 2.0715 223.498  3.7202  147.533 1.8783 153.217 3.6926 -5.684647      4.142907 
1 1 1 5  17 26 o 32.368  5.0837 7.2832   0.9193  24.495  2.1212 40.242  9.9437 -15.74669      10.16743 
1 1 1 5  17 28 o 196.973 2.2423 386.910  5.9826  194.300 2.6147 199.646 3.6436 -5.346252      4.484695 
1 1 1 5  17 30 o 153.637 2.7517 236.292  4.8827  153.170 2.3369 154.103 4.9826 -0.9324188     5.503428 
1 1 1 5  17 32 f 90.670  2.7771 83.227   3.3254  92.436  2.9979 88.903  4.6756 3.533295       5.554135 
1 1 1 5  17 34 o 62.929  3.7012 39.712   3.2259  60.382  4.6850 65.477  5.7312 -5.095459      7.402384 
1 1 1 5  17 36 o 22.131  6.6495 1.1731   3.3568  19.803  8.2036 24.460  10.467 -4.656609      13.29896 
1 1 1 5  17 38 o 29.856  7.2133 9.0399   3.6003  27.263  9.4853 32.450  10.870 -5.186354      14.42668 
1 1 1 5  17 40 o 18.114  6.0524 -6.9890  3.8035  14.643  7.0933 21.585  9.8087 -6.941370      12.10477 
1 1 1 5  17 42 o 42.644  6.6843 22.156   3.8195  47.914  6.6271 37.374  11.610 10.53961       13.36861 
1 1 1 5  17 44 o 35.925  7.3899 18.107   3.9745  37.350  9.4233 34.500  11.386 2.849468       14.77988 
1 1 1 5  17 46 o 22.269  7.1952 1.6301   4.6621  16.600  7.9661 27.938  11.984 -11.33810      14.39049 
1 1 1 5  18 1  o 276.464 2.0008 764.337  7.8201  278.541 2.8603 274.388 2.7984 4.153168       4.001514 
1 1 1 5  18 3  o 377.705 2.6357 1417.45  13.837  365.895 3.3608 389.514 4.0611 -23.61942      5.271397 
1 1 1 5  18 5  o 57.725  2.0961 33.408   1.7026  53.825  3.1105 61.625  2.8105 -7.800339      4.192146 
1 1 1 5  18 7  o 228.954 1.8293 523.756  5.8938  231.106 2.7229 226.802 2.4437 4.304291       3.658664 
1 1 1 5  18 9  o 226.216 1.7957 511.864  5.7442  224.111 2.5503 228.321 2.5286 -4.210358      3.591329 
1 1 1 5  18 11 o 159.531 1.5336 253.046  3.4399  167.761 2.2369 151.301 2.0986 16.46011       3.067232 
1 1 1 5  18 13 o 159.668 1.5492 256.199  3.4293  163.053 1.9120 156.284 2.4381 6.769485       3.098377 
1 1 1 5  18 15 o 162.125 1.5899 261.913  3.5064  160.193 1.8740 164.057 2.5689 -3.863708      3.179821 
1 1 1 5  18 17 o 182.680 1.6715 333.789  4.1778  182.549 1.9924 182.810 2.6843 -0.2609711     3.342963 
1 1 1 5  18 19 o 107.179 1.5406 115.603  2.2862  109.985 1.8897 104.374 2.4338 5.611183       3.081256 
1 1 1 5  18 21 o 246.490 1.8808 609.878  6.4987  251.399 2.4342 241.581 2.8677 9.818741       3.761556 
1 1 1 5  18 23 o 187.861 1.6481 354.408  4.3540  194.273 2.1693 181.449 2.4818 12.82491       3.296237 
1 1 1 5  18 25 o 195.678 1.6429 383.122  4.5009  195.367 2.1276 195.989 2.5038 -0.6216125     3.285740 
1 1 1 5  18 27 f 75.636  3.1718 56.860   1.5458  75.207  1.2282 76.066  6.2236 -0.8591690     6.343652 
1 1 1 5  18 29 o 84.544  2.5661 70.828   2.9716  80.943  3.1383 88.144  4.0608 -7.201004      5.132180 
1 1 1 5  18 31 o 50.920  4.3346 25.935   3.0491  48.793  5.4428 53.047  6.7477 -4.253872      8.669200 
1 1 1 5  18 33 o 50.846  6.7121 27.084   4.4278  51.436  11.306 50.257  7.2371 1.179272       13.42413 
1 1 1 5  18 35 o 33.706  6.8642 11.785   3.4072  27.349  9.0584 40.062  10.316 -12.71299      13.72849 
1 1 1 5  18 37 o 77.271  3.6818 59.560   3.7417  73.512  4.0838 81.030  6.1273 -7.518211      7.363531 
1 1 1 5  18 39 o 103.148 2.9996 106.077  4.1506  97.240  3.5029 109.057 4.8703 -11.81716      5.999150 
1 1 1 5  18 41 o 41.333  7.5245 20.730   4.2287  39.938  8.9032 42.728  12.133 -2.789963      15.04898 
1 1 1 5  18 43 o 21.478  6.8628 1.6211   3.9905  18.325  8.2129 24.631  10.997 -6.306595      13.72553 
1 1 1 5  18 45 o 22.609  7.1152 2.4853   4.8722  24.102  9.8856 21.115  10.236 2.986950       14.23038 
1 1 1 5  19 0  o 779.662 6.7173 6085.45  104.726 779.662 6.7173 ?       ?      0.000000       0.000000 
1 1 1 5  19 2  o 406.225 2.7573 1653.94  15.745  400.513 4.1514 411.936 3.6298 -11.42346      5.514520 
1 1 1 5  19 4  o 255.819 2.0907 653.157  7.4411  258.597 3.2372 253.042 2.6466 5.554550       4.181332 
1 1 1 5  19 6  o 456.884 3.6105 2078.16  21.936  463.024 5.9974 450.745 4.0218 12.27908       7.221019 
1 1 1 5  19 8  o 138.480 1.9604 191.826  3.8390  139.376 2.7753 137.584 2.7695 1.791916       3.920717 
1 1 1 5  19 10 o 80.388  1.9590 64.503   2.2043  81.462  2.9765 79.314  2.5476 2.148651       3.917934 
1 1 1 5  19 12 o 416.059 3.1012 1733.35  18.243  420.874 4.3346 411.244 4.4361 9.629974       6.202302 
1 1 1 5  19 14 o 254.079 2.0418 647.065  7.2619  256.817 2.6302 251.341 3.1239 5.476212       4.083672 
1 1 1 5  19 16 o 194.447 1.8442 379.436  5.0475  200.864 2.4431 188.031 2.7633 12.83258       3.688437 
1 1 1 5  19 18 o 23.550  4.8743 5.3263   1.7431  18.501  6.5134 28.599  7.2534 -10.09781      9.748681 
1 1 1 5  19 20 o 16.872  4.7592 1.4756   1.6204  15.291  5.9850 18.454  7.4013 -3.163044      9.518420 
1 1 1 5  19 22 o 92.291  1.7934 84.789   2.3093  89.673  2.3177 94.908  2.7373 -5.234543      3.586756 
1 1 1 5  19 24 o 208.209 1.7921 433.751  5.2023  207.690 2.2794 208.727 2.7659 -1.037842      3.584117 
1 1 1 5  19 26 o 43.204  2.2206 18.700   1.3561  42.938  3.0925 43.469  3.1875 -0.5306664     4.441113 
1 1 1 5  19 28 o 156.888 2.0066 249.480  3.4615  159.217 1.5592 154.560 3.6979 4.657059       4.013191 
1 1 1 5  19 30 o 110.170 2.5765 122.880  3.9073  113.911 3.0916 106.428 4.1226 7.482208       5.153074 
1 1 1 5  19 32 o 115.549 2.4135 134.201  3.8026  115.568 2.8475 115.531 3.8978 0.3710938E-01  4.827070 
1 1 1 5  19 34 o 34.546  6.2719 12.553   3.0699  28.061  8.6286 41.030  9.1047 -12.96868      12.54383 
1 1 1 5  19 36 o 70.037  3.4993 49.944   3.4630  67.833  5.0215 72.241  4.8749 -4.408661      6.998540 
1 1 1 5  19 38 o 25.684  6.7703 5.3046   3.4057  20.746  8.7566 30.622  10.328 -9.876238      13.54062 
1 1 1 5  19 40 o 37.222  6.6081 16.501   3.4907  39.700  8.8121 34.744  9.8497 4.955257       13.21627 
1 1 1 5  19 42 o 22.127  6.7661 2.3747   4.0388  23.660  9.5741 20.594  9.5634 3.065563       13.53224 
1 1 1 5  19 44 o 22.075  7.0647 2.6499   4.5167  18.292  8.5520 25.858  11.247 -7.566277      14.12932 
1 1 1 5  20 1  o 126.584 1.5639 159.479  2.7759  122.504 2.0736 130.663 2.3418 -8.158363      3.127869 
1 1 1 5  20 3  o 201.261 1.6341 405.319  4.6473  206.639 2.2630 195.883 2.3578 10.75633       3.268134 
1 1 1 5  20 5  o 232.798 1.9207 542.007  6.3152  231.747 2.6407 233.849 2.7897 -2.102325      3.841304 
1 1 1 5  20 7  o 227.066 1.8546 513.498  5.8786  221.774 2.3949 232.358 2.8325 -10.58382      3.709271 
1 1 1 5  20 9  o 124.935 1.5692 155.289  2.7411  121.127 2.0495 128.743 2.3767 -7.616547      3.138319 
1 1 1 5  20 11 o 338.229 2.5519 1145.51  12.142  339.408 3.3849 337.051 3.8197 2.356842       5.103706 
1 1 1 5  20 13 o 167.368 1.9575 283.926  4.2714  172.166 2.0455 162.570 3.3382 9.596252       3.915015 
1 1 1 5  20 15 o 278.712 2.2767 776.937  8.3617  278.269 2.4689 279.154 3.8260 -0.8850708     4.553432 
1 1 1 5  20 17 o 113.471 1.7079 129.857  2.6147  116.053 1.9401 110.889 2.8114 5.164513       3.415861 
1 1 1 5  20 19 o 90.606  2.0144 83.214   2.4367  93.647  2.2193 87.564  3.3625 6.083572       4.028895 
1 1 1 5  20 21 o 348.318 2.4822 1220.30  11.929  353.936 3.0176 342.701 3.9420 11.23495       4.964440 
1 1 1 5  20 23 o 239.905 1.9390 578.754  6.4727  245.071 2.4264 234.739 3.0251 10.33136       3.877969 
1 1 1 5  20 25 o 13.618  4.3165 -1.5588  1.7012  13.296  5.8483 13.939  6.3503 -0.6429052     8.633023 
1 1 1 5  20 27 o 116.687 1.4694 136.160  2.4193  114.864 2.0105 118.511 2.1434 -3.647293      2.938765 
1 1 1 5  20 29 o 134.846 2.0701 182.471  2.9097  135.107 1.4956 134.585 3.8607 0.5211487      4.140238 
1 1 1 5  20 31 o 32.085  6.5412 9.5457   3.1245  22.052  8.2934 42.118  10.118 -20.06594      13.08242 
1 1 1 5  20 33 o 39.372  6.7746 17.114   3.6641  43.539  6.7625 35.205  11.741 8.333981       13.54928 
1 1 1 5  20 35 o 19.484  6.3706 -3.4754  3.2947  14.259  6.6886 24.709  10.844 -10.45034      12.74120 
1 1 1 5  20 37 o 75.035  3.4282 58.025   3.5198  77.068  4.0452 73.001  5.5359 4.066544       6.856337 
1 1 1 5  20 39 f 20.542  6.3450 0.2025   3.5207  19.450  8.7556 21.633  9.1855 -2.183113      12.68991 
1 1 1 5  20 41 o 34.432  7.0915 15.641   3.7304  37.419  9.2887 31.445  10.718 5.974394       14.18294 
1 1 1 5  20 43 o 24.535  7.0127 7.6137   3.8372  22.717  9.7161 26.353  10.115 -3.635887      14.02546 
1 1 1 5  20 45 o 22.209  7.3210 3.2631   5.6929  22.471  10.065 21.947  10.634 0.5243073      14.64208 
1 1 1 5  21 0  o 437.039 3.9505 1911.40  34.524  437.039 3.9505 ?       ?      0.000000       0.000000 
1 1 1 5  21 2  o 366.158 2.5994 1342.24  13.443  364.171 3.7889 368.144 3.5598 -3.973236      5.198837 
1 1 1 5  21 4  o 214.058 1.8409 458.030  5.5591  211.945 2.5060 216.171 2.6974 -4.225632      3.681851 
1 1 1 5  21 6  o 346.241 2.3755 1198.92  11.624  339.162 3.3363 353.320 3.3824 -14.15833      4.750944 
1 1 1 5  21 8  f 267.637 2.0440 716.670  7.7344  266.679 2.8576 268.594 2.9232 -1.914917      4.087928 
1 1 1 5  21 10 o 156.844 1.6270 246.135  3.6080  155.978 2.3318 157.709 2.2696 -1.731094      3.254012 
1 1 1 5  21 12 o 188.991 1.8697 361.756  4.6736  194.633 2.0170 183.349 3.1488 11.28340       3.739398 
1 1 1 5  21 14 o 66.634  2.3003 44.535   1.9929  66.911  2.4159 66.357  3.9151 0.5544739      4.600521 
1 1 1 5  21 16 o 145.740 1.6676 215.288  3.3574  154.522 2.0175 136.958 2.6557 17.56433       3.335123 
1 1 1 5  21 18 o 341.668 2.4479 1169.86  11.686  342.447 3.1357 340.889 3.7597 1.558075       4.895760 
1 1 1 5  21 20 o 223.604 1.9115 502.065  5.8736  226.152 2.2975 221.055 3.0557 5.097321       3.823042 
1 1 1 5  21 22 o 178.581 1.6909 319.625  4.1991  179.602 2.1215 177.560 2.6337 2.042374       3.381868 
1 1 1 5  21 24 o 66.970  2.2627 44.842   2.1111  66.083  2.8830 67.857  3.4883 -1.773354      4.525440 
1 1 1 5  21 26 o 37.879  3.4397 14.245   1.8186  34.710  4.6571 41.047  5.0634 -6.336193      6.879457 
1 1 1 5  21 28 o 120.524 1.5105 145.340  2.5532  119.771 1.9763 121.276 2.2850 -1.504280      3.021078 
1 1 1 5  21 30 o 68.322  2.8618 44.516   1.6434  65.234  1.5930 71.410  5.4975 -6.175835      5.723690 
1 1 1 5  21 32 f 29.550  5.6713 8.4277   2.8505  39.652  7.8503 19.447  8.1870 20.20459       11.34257 
1 1 1 5  21 34 o 24.868  7.5463 -0.8667  4.9589  29.155  11.661 20.582  9.5822 8.572935       15.09257 
1 1 1 5  21 36 o 28.640  6.9793 8.2225   3.5658  31.382  9.1756 25.898  10.519 5.484264       13.95858 
1 1 1 5  21 38 o 27.700  7.1657 7.7724   3.8011  30.038  9.4753 25.362  10.752 4.676291       14.33132 
1 1 1 5  21 40 o 38.973  7.1140 19.575   3.8301  41.299  7.8325 36.646  11.878 4.653133       14.22797 
1 1 1 5  21 42 o 19.457  6.3412 -0.6004  4.0404  20.381  9.2559 18.533  8.6701 1.847950       12.68238 
1 1 1 5  21 44 o 16.562  5.6378 -6.0553  4.0281  14.852  7.3840 18.272  8.5215 -3.420137      11.27559 
1 1 1 5  22 1  f 309.012 2.1478 955.915  9.3807  312.770 2.9718 305.255 3.1017 7.514526       4.295600 
1 1 1 5  22 3  o 372.543 2.5754 1389.27  13.566  377.963 3.6201 367.122 3.6641 10.84116       5.150764 
1 1 1 5  22 5  o 180.676 1.6492 324.339  4.1638  173.831 2.1588 187.521 2.4938 -13.69051      3.298342 
1 1 1 5  22 7  o 252.161 1.9262 635.700  6.8624  247.793 2.6793 256.528 2.7681 -8.735275      3.852465 
1 1 1 5  22 9  o 347.371 2.3444 1207.58  11.514  344.003 3.2894 350.738 3.3414 -6.735382      4.688824 
1 1 1 5  22 11 o 258.992 2.0492 669.771  7.3826  256.065 2.5928 261.919 3.1741 -5.853455      4.098431 
1 1 1 5  22 13 o 91.283  1.9138 84.329   2.3904  94.930  2.2502 87.637  3.0962 7.293571       3.827514 
1 1 1 5  22 15 o 90.111  1.8390 80.848   2.2169  88.909  2.0779 91.313  3.0348 -2.403679      3.677975 
1 1 1 5  22 17 o 132.562 1.7690 175.193  3.1267  131.258 1.9793 133.866 2.9326 -2.607513      3.538060 
1 1 1 5  22 19 o 50.042  2.9484 25.145   1.9808  50.240  3.3325 49.843  4.8648 0.3967896      5.896730 
1 1 1 5  22 21 o 120.373 1.7784 145.328  2.9621  121.277 2.1898 119.470 2.8028 1.807732       3.556774 
1 1 1 5  22 23 o 61.513  2.6307 37.159   2.1748  57.994  3.0860 65.032  4.2612 -7.038651      5.261300 
1 1 1 5  22 25 o 66.561  2.3766 44.272   2.1773  65.636  2.9026 67.485  3.7641 -1.848389      4.753297 
1 1 1 5  22 27 f 73.711  2.0506 54.515   2.1345  74.109  2.8045 73.313  2.9924 0.7952805      4.101163 
1 1 1 5  22 29 o 26.347  4.3876 7.3402   1.6144  23.850  6.4008 28.844  6.0029 -4.994526      8.775275 
1 1 1 5  22 31 o 57.304  3.6323 32.541   1.5837  56.498  1.7371 58.111  7.0538 -1.612431      7.264522 
1 1 1 5  22 33 o 53.864  4.1704 29.623   3.1585  49.626  5.9330 58.101  5.8625 -8.474781      8.340886 
1 1 1 5  22 35 o 47.877  5.4243 24.631   3.5757  49.518  6.9952 46.236  8.2920 3.282482       10.84852 
1 1 1 5  22 37 o 23.655  6.6062 4.6875   3.1682  22.615  8.5587 24.695  10.066 -2.079933      13.21248 
1 1 1 5  22 39 o 28.668  6.9398 9.8296   3.5132  23.894  9.4596 33.443  10.157 -9.548773      13.87951 
1 1 1 5  22 41 o 19.048  6.0630 0.3144   3.4154  21.225  9.2564 16.870  7.8334 4.354338       12.12608 
1 1 1 5  22 43 o 20.337  6.4049 3.4137   3.7953  20.899  8.7857 19.776  9.3221 1.123037       12.80982 
1 1 1 5  23 0  o 195.576 2.8352 382.881  11.085  195.576 2.8352 ?       ?      0.000000       0.000000 
1 1 1 5  23 2  o 229.645 2.0587 530.047  6.6071  235.641 2.6215 223.650 3.1751 11.99103       4.117465 
1 1 1 5  23 4  o 187.073 1.6695 350.018  4.4148  182.971 2.3665 191.176 2.3555 -8.205048      3.338930 
1 1 1 5  23 6  o 369.367 2.6538 1364.95  13.815  365.474 3.5858 373.260 3.9132 -7.786163      5.307636 
1 1 1 5  23 8  o 161.733 1.6302 261.102  3.6967  159.154 2.1402 164.312 2.4595 -5.157684      3.260310 
1 1 1 5  23 10 o 173.608 1.6469 301.252  4.0281  175.613 2.4327 171.603 2.2204 4.009705       3.293712 
1 1 1 5  23 12 o 308.433 2.2085 954.444  9.5248  312.197 2.8293 304.668 3.3919 7.528625       4.417022 
1 1 1 5  23 14 o 207.608 1.8113 434.430  5.2023  213.941 2.2128 201.276 2.8683 12.66505       3.622661 
1 1 1 5  23 16 o 48.310  3.1435 23.934   1.8557  50.139  2.8786 46.480  5.5893 3.658806       6.287054 
1 1 1 5  23 18 o 170.038 1.8517 288.582  4.3167  168.219 2.2308 171.856 2.9562 -3.637482      3.703458 
1 1 1 5  23 20 o 180.583 1.8925 324.894  4.5724  178.131 2.1391 183.035 3.1226 -4.903366      3.785019 
1 1 1 5  23 22 o 159.292 1.8735 253.668  4.0978  158.068 2.2645 160.516 2.9852 -2.447998      3.746934 
1 1 1 5  23 24 o 256.501 2.1167 657.655  7.4628  253.891 2.5695 259.111 3.3644 -5.219986      4.233400 
1 1 1 5  23 26 o 28.841  5.0580 8.7963   2.1923  34.434  5.7004 23.248  8.3569 11.18616       10.11595 
1 1 1 5  23 28 o 100.799 1.9438 102.289  2.6139  101.589 2.1595 100.009 3.2327 1.579491       3.887672 
1 1 1 5  23 30 o 126.697 1.6170 161.147  2.8681  127.096 2.0895 126.298 2.4684 0.7982407      3.234060 
1 1 1 5  23 32 o 25.089  6.2126 4.7695   1.4747  20.130  4.4222 30.049  11.612 -9.919420      12.42523 
1 1 1 5  23 34 o 55.322  4.3616 32.027   3.3653  57.852  5.4887 52.793  6.7801 5.058758       8.723243 
1 1 1 5  23 36 o 36.819  6.9804 16.093   3.6859  33.591  9.5280 40.047  10.204 -6.456875      13.96075 
1 1 1 5  23 38 o 22.502  6.6624 2.8481   3.5785  18.020  8.1716 26.984  10.525 -8.964069      13.32480 
1 1 1 5  23 40 o 22.763  6.6059 2.3127   3.8370  15.519  7.4974 30.007  10.878 -14.48771      13.21183 
1 1 1 5  23 42 f 21.978  7.0165 4.9974   4.7277  24.804  10.741 19.151  9.0313 5.653593       14.03300 
1 1 1 5  24 1  o 190.716 1.7227 362.563  4.6171  184.931 2.3102 196.501 2.5561 -11.56966      3.445335 
1 1 1 5  24 3  o 295.038 2.1808 871.806  9.0920  286.657 3.1418 303.419 3.0253 -16.76248      4.361609 
1 1 1 5  24 5  o 203.314 1.8768 415.113  5.3536  198.207 2.8545 208.421 2.4376 -10.21373      3.753651 
1 1 1 5  24 7  o 196.098 1.7592 384.855  4.8782  195.596 2.5089 196.599 2.4667 -1.002731      3.518379 
1 1 1 5  24 9  o 66.177  2.4080 43.770   2.2382  67.216  3.6074 65.139  3.1907 2.077209       4.816005 
1 1 1 5  24 11 o 144.026 1.5620 208.781  3.1144  147.684 1.9155 140.368 2.4678 7.316467       3.123929 
1 1 1 5  24 13 o 137.378 1.6482 190.770  3.1017  142.392 1.9461 132.365 2.6606 10.02773       3.296388 
1 1 1 5  24 15 o 72.350  2.2877 50.677   2.1015  67.841  2.3828 76.859  3.9060 -9.018074      4.575387 
1 1 1 5  24 17 o 174.236 1.7719 303.799  4.2529  173.917 2.1577 174.556 2.8113 -0.6392670     3.543854 
1 1 1 5  24 19 o 116.777 2.0774 134.711  3.2653  112.256 2.4172 121.298 3.3793 -9.042328      4.154778 
1 1 1 5  24 21 o 157.182 1.7378 246.467  3.7608  154.797 2.1258 159.568 2.7497 -4.770630      3.475645 
1 1 1 5  24 23 o 78.989  2.3926 62.013   2.4869  77.332  2.6129 80.646  4.0089 -3.313599      4.785240 
1 1 1 5  24 25 o 71.816  2.6491 51.551   2.5540  70.652  3.0234 72.981  4.3509 -2.328369      5.298193 
1 1 1 5  24 27 o 89.897  2.0899 81.529   2.5884  91.330  2.5285 88.464  3.3283 2.866005       4.179834 
1 1 1 5  24 29 o 74.850  2.3329 56.652   2.4451  77.040  2.9975 72.660  3.5755 4.380310       4.665774 
1 1 1 5  24 31 o 59.652  2.3390 36.005   1.9561  61.037  3.0267 58.267  3.5670 2.770172       4.678077 
1 1 1 5  24 33 o 37.206  5.8128 15.354   1.5363  39.359  2.3469 35.054  11.386 4.304958       11.62557 
1 1 1 5  24 35 o 32.869  8.8531 12.840   5.7132  32.013  12.540 33.724  12.501 -1.710423      17.70629 
1 1 1 5  24 37 o 19.831  6.3696 -2.8226  4.0967  21.124  9.0430 18.537  8.9728 2.586956       12.73919 
1 1 1 5  24 39 o 17.947  6.0189 -6.6475  4.3547  19.553  8.8918 16.341  8.1146 3.211843       12.03787 
1 1 1 5  24 41 o 29.341  8.2324 17.365   5.0483  27.695  11.104 30.988  12.157 -3.292725      16.46474 
1 1 1 5  25 0  o 39.801  5.0642 16.627   3.9258  39.801  5.0642 ?       ?      0.000000       0.000000 
1 1 1 5  25 2  o 17.613  5.2678 -0.1155  2.3093  15.992  7.1205 19.234  7.7652 -3.241326      10.53569 
1 1 1 5  25 4  o 134.100 1.8261 179.254  3.4399  138.243 2.7145 129.957 2.4433 8.286453       3.652167 
1 1 1 5  25 6  o 160.473 1.9100 258.017  4.3292  163.444 2.6139 157.503 2.7858 5.940811       3.820040 
1 1 1 5  25 8  o 102.977 1.9002 105.280  2.7411  108.460 2.8212 97.494  2.5463 10.96536       3.800327 
1 1 1 5  25 10 o 113.299 1.9519 129.399  3.0560  116.624 2.3761 109.973 3.0973 6.651321       3.903754 
1 1 1 5  25 12 o 191.033 1.9180 367.451  5.0230  194.873 2.2812 187.193 3.0841 7.679489       3.836067 
1 1 1 5  25 14 o 47.639  3.5288 22.895   2.1924  48.111  3.7199 47.167  5.9976 0.9447212      7.057568 
1 1 1 5  25 16 o 23.486  5.5917 5.1014   2.0574  21.892  6.7320 25.079  8.9303 -3.187580      11.18346 
1 1 1 5  25 18 o 141.932 1.8747 202.581  3.6734  144.059 2.2843 139.805 2.9732 4.254089       3.749427 
1 1 1 5  25 20 o 126.706 1.8815 161.343  3.3236  128.755 2.3765 124.657 2.9177 4.097694       3.763067 
1 1 1 5  25 22 o 34.184  5.9627 11.085   2.6172  25.540  7.3112 42.828  9.4213 -17.28811      11.92540 
1 1 1 5  25 24 o 123.691 1.9910 153.283  3.3281  123.116 2.2977 124.265 3.2521 -1.149025      3.981943 
1 1 1 5  25 26 o 123.741 1.8987 154.097  3.2411  124.786 2.3133 122.695 3.0114 2.090645       3.797337 
1 1 1 5  25 28 o 32.661  4.9865 11.327   2.3078  26.288  7.9175 39.034  6.0640 -12.74619      9.972927 
1 1 1 5  25 30 o 84.962  2.0697 72.800   2.4825  87.850  2.8258 82.074  3.0247 5.775810       4.139331 
1 1 1 5  25 32 o 26.491  4.2984 7.4288   1.8759  36.312  5.0877 16.670  6.9297 19.64121       8.596840 
1 1 1 5  25 34 o 34.523  5.8170 14.672   1.6258  39.414  2.4901 29.631  11.364 9.783026       11.63404 
1 1 1 5  25 36 o 23.721  7.2848 4.0111   4.3318  22.035  9.3457 25.408  11.177 -3.373226      14.56959 
1 1 1 5  25 38 o 17.154  5.7999 -5.5567  3.8673  16.804  7.7590 17.505  8.6228 -0.7017860     11.59975 
1 1 1 5  25 40 o 21.093  6.9985 3.1717   4.9914  18.971  8.8844 23.214  10.816 -4.243376      13.99697 
1 1 1 5  26 1  o 148.389 1.8303 220.464  3.8372  149.015 2.5183 147.763 2.6568 1.251801       3.660649 
1 1 1 5  26 3  o 107.105 1.9112 115.063  2.8820  109.159 2.5386 105.052 2.8577 4.106239       3.822459 
1 1 1 5  26 5  o 97.385  2.0954 94.847   2.8820  99.691  3.0114 95.078  2.9146 4.612907       4.190848 
1 1 1 5  26 7  o 200.447 2.0413 402.006  5.7363  201.633 3.0923 199.260 2.6655 2.372452       4.082576 
1 1 1 5  26 9  o 158.304 1.7535 250.845  3.9249  157.031 2.4633 159.578 2.4963 -2.547531      3.507002 
1 1 1 5  26 11 o 48.380  3.7244 23.382   2.4930  47.104  4.6574 49.656  5.8133 -2.551960      7.448873 
1 1 1 5  26 13 o 120.561 1.8103 145.915  3.0206  121.732 2.2290 119.390 2.8530 2.342644       3.620522 
1 1 1 5  26 15 o 124.820 1.8792 153.110  3.1196  119.001 2.1346 130.640 3.0934 -11.63883      3.758451 
1 1 1 5  26 17 o 109.316 2.1979 118.130  3.2468  104.965 2.5851 113.668 3.5553 -8.703468      4.395784 
1 1 1 5  26 19 o 190.740 2.1225 363.839  5.5798  188.844 2.5986 192.636 3.3566 -3.791702      4.244915 
1 1 1 5  26 21 o 216.105 2.2391 468.250  6.3859  215.529 2.4376 216.681 3.7568 -1.152603      4.478294 
1 1 1 5  26 23 o 27.715  5.6994 7.1431   2.4090  19.311  7.3434 36.118  8.7182 -16.80731      11.39878 
1 1 1 5  26 25 o 58.342  3.2328 34.747   2.5884  60.019  3.8476 56.665  5.1960 3.353523       6.465509 
1 1 1 5  26 27 o 16.195  5.2132 -2.8597  2.5518  14.151  6.5804 18.239  8.0875 -4.088097      10.42643 
1 1 1 5  26 29 o 42.085  4.8774 19.557   2.6470  47.689  4.9635 36.481  8.3977 11.20741       9.754827 
1 1 1 5  26 31 o 52.729  3.4034 28.837   2.4951  54.556  4.2329 50.902  5.3307 3.653759       6.806863 
1 1 1 5  26 33 o 45.725  5.8115 22.664   2.8041  45.066  4.3556 46.383  10.776 -1.316765      11.62309 
1 1 1 5  26 35 o 20.653  5.9957 3.2575   1.4695  15.442  4.9562 25.863  10.919 -10.42118      11.99139 
1 1 1 5  26 37 o 23.362  7.0217 5.3741   4.2194  24.990  9.8161 21.735  10.043 3.255764       14.04342 
1 1 1 5  26 39 o 24.583  7.3791 8.5551   5.0146  27.394  10.280 21.772  10.589 5.621828       14.75825 
1 1 1 5  27 0  o 297.983 3.4885 889.308  20.784  297.983 3.4885 ?       ?      0.000000       0.000000 
1 1 1 5  27 2  o 322.840 2.3835 1044.42  10.882  321.433 3.3587 324.247 3.3830 -2.814514      4.767093 
1 1 1 5  27 4  o 212.796 1.8613 453.312  5.5947  211.909 2.5609 213.682 2.7018 -1.773148      3.722626 
1 1 1 5  27 6  o 187.095 1.8337 350.560  4.8488  182.130 2.6310 192.059 2.5551 -9.929810      3.667474 
1 1 1 5  27 8  o 54.584  3.5095 30.395   2.6356  57.943  4.1848 51.225  5.6352 6.717728       7.019071 
1 1 1 5  27 10 o 65.351  3.1774 44.916   2.6326  71.595  3.0642 59.108  5.5673 12.48632       6.354884 
1 1 1 5  27 12 o 112.906 2.1489 127.569  3.3436  112.128 2.6259 113.685 3.4024 -1.557205      4.297899 
1 1 1 5  27 14 o 118.610 2.0378 141.881  3.1627  120.298 2.1596 116.923 3.4564 3.375710       4.075568 
1 1 1 5  27 16 o 39.178  4.8379 16.204   2.4155  41.751  4.8398 36.605  8.3784 5.145851       9.675788 
1 1 1 5  27 18 o 59.451  3.7018 35.383   2.9030  58.277  4.0617 60.624  6.1899 -2.347477      7.403550 
1 1 1 5  27 20 o 83.158  2.5556 68.976   2.9477  80.068  3.2447 86.248  3.9493 -6.179306      5.111280 
1 1 1 5  27 22 o 70.101  2.9013 48.987   2.7525  67.557  3.4183 72.646  4.6888 -5.088615      5.802542 
1 1 1 5  27 24 o 50.911  3.9452 26.593   2.6737  51.887  4.3393 49.935  6.5901 1.952236       7.890413 
1 1 1 5  27 26 o 25.269  6.3270 5.8932   2.8889  27.042  8.4641 23.496  9.4066 3.545261       12.65407 
1 1 1 5  27 28 o 43.062  4.3247 19.297   2.6265  44.555  5.8308 41.569  6.3886 2.986038       8.649426 
1 1 1 5  27 30 o 61.789  3.1431 39.391   2.6827  63.407  3.8241 60.172  4.9892 3.235195       6.286164 
1 1 1 5  27 32 o 41.545  4.2705 18.157   2.3574  32.399  6.4656 50.691  5.5806 -18.29212      8.540968 
1 1 1 5  27 34 o 14.013  4.9612 -7.6592  2.7096  11.086  5.3688 16.939  8.3445 -5.852780      9.922387 
1 1 1 5  27 36 o 31.792  5.9179 12.651   2.1127  33.928  4.0839 29.656  11.109 4.271500       11.83578 
1 1 1 5  27 38 o 20.674  6.5281 2.7169   4.1149  22.208  9.2508 19.140  9.2135 3.068201       13.05628 
1 1 1 5  28 1  o 382.054 2.6713 1464.94  14.432  380.781 3.7601 383.327 3.7953 -2.546478      5.342531 
1 1 1 5  28 3  o 192.097 1.8807 369.604  5.1078  190.360 2.6385 193.834 2.6806 -3.474304      3.761313 
1 1 1 5  28 5  o 143.349 1.8359 205.307  3.7128  137.866 2.5544 148.833 2.6377 -10.96677      3.671868 
1 1 1 5  28 7  o 70.855  2.5946 50.420   2.5967  71.473  3.5541 70.238  3.7810 1.234207       5.189171 
1 1 1 5  28 9  o 73.882  2.9305 56.416   2.6125  77.336  2.6128 70.428  5.2463 6.907867       5.860953 
1 1 1 5  28 11 o 109.378 2.2209 119.936  3.4329  108.805 3.0775 109.951 3.2029 -1.146049      4.441833 
1 1 1 5  28 13 o 136.889 2.3550 187.080  4.1747  135.583 2.4697 138.194 4.0105 -2.610916      4.709946 
1 1 1 5  28 15 o 104.690 2.3309 111.039  3.2051  106.952 2.4831 102.427 3.9455 4.525032       4.661807 
1 1 1 5  28 17 o 39.505  5.2644 17.187   2.6545  45.081  4.9945 33.930  9.2688 11.15072       10.52878 
1 1 1 5  28 19 o 33.012  4.9570 11.750   2.3955  22.883  8.1667 43.141  5.6205 -20.25834      9.913927 
1 1 1 5  28 21 o 38.193  5.3298 14.858   2.7931  27.213  8.1022 49.173  6.9270 -21.96010      10.65968 
1 1 1 5  28 23 o 59.746  3.7807 35.594   3.1103  55.007  4.8279 64.484  5.8194 -9.476398      7.561365 
1 1 1 5  28 25 o 98.275  2.2799 97.615   3.1144  99.186  2.8521 97.365  3.5577 1.820389       4.559780 
1 1 1 5  28 27 o 114.971 2.4200 134.337  3.7638  116.267 2.7807 113.675 3.9614 2.592537       4.839921 
1 1 1 5  28 29 o 44.409  4.5951 20.871   2.8681  41.001  6.4772 47.818  6.5196 -6.817509      9.190167 
1 1 1 5  28 31 o 16.418  5.1385 -0.9563  2.4125  17.221  7.2576 15.615  7.2763 1.606938       10.27703 
1 1 1 5  28 33 f 24.239  5.9539 7.1273   2.5192  25.400  8.0876 23.077  8.7400 2.322544       11.90788 
1 1 1 5  28 35 f 20.458  5.7169 3.9098   1.9869  19.445  5.9648 21.472  9.7547 -2.027279      11.43384 
1 1 1 5  28 37 o 30.778  7.2708 14.142   5.2532  38.943  9.1819 22.613  11.276 16.32983       14.54152 
1 1 1 5  29 0  o 303.475 3.3681 922.793  20.437  303.475 3.3681 ?       ?      0.000000       0.000000 
1 1 1 5  29 2  o 235.624 1.9924 556.394  6.6387  237.764 2.8166 233.485 2.8188 4.278610       3.984860 
1 1 1 5  29 4  o 59.252  3.5131 35.297   2.9398  57.270  4.9395 61.233  4.9970 -3.962753      7.026286 
1 1 1 5  29 6  o 118.714 2.0293 141.271  3.4062  117.376 2.9020 120.051 2.8373 -2.674736      4.058520 
1 1 1 5  29 8  o 153.245 2.0465 235.969  4.4012  155.923 2.6659 150.568 3.1058 5.356018       4.093023 
1 1 1 5  29 10 o 146.714 2.0233 216.214  4.0017  147.473 2.3097 145.956 3.3226 1.516998       4.046528 
1 1 1 5  29 12 o 178.965 1.9402 322.373  4.6753  180.814 2.2031 177.117 3.1944 3.697083       3.880423 
1 1 1 5  29 14 o 98.468  2.2474 96.943   3.0652  96.533  2.8109 100.402 3.5076 -3.868973      4.494870 
1 1 1 5  29 16 o 33.002  6.0059 11.423   2.7111  30.282  7.4715 35.722  9.4053 -5.439518      12.01180 
1 1 1 5  29 18 o 25.838  6.4130 6.1676   2.6751  23.285  7.6863 28.392  10.268 -5.106686      12.82606 
1 1 1 5  29 20 o 83.893  2.6762 69.693   3.0703  78.766  3.2983 89.020  4.2155 -10.25349      5.352490 
1 1 1 5  29 22 o 78.445  3.2097 62.734   3.3876  79.428  3.6342 77.463  5.2916 1.965401       6.419379 
1 1 1 5  29 24 o 108.386 2.0066 116.868  2.9509  104.086 2.3850 112.686 3.2277 -8.600052      4.013247 
1 1 1 5  29 26 f 32.812  6.7379 12.106   3.2089  29.315  8.6629 36.310  10.322 -6.994883      13.47575 
1 1 1 5  29 28 o 47.179  5.5492 26.019   3.2280  53.708  5.0522 40.650  9.8818 13.05778       11.09835 
1 1 1 5  29 30 o 27.048  6.1125 8.6009   2.6243  24.206  8.2027 29.889  9.0644 -5.682793      12.22491 
1 1 1 5  29 32 o 19.363  5.8302 2.3045   2.7854  18.216  7.8504 20.511  8.6219 -2.294632      11.66048 
1 1 1 5  29 34 o 25.658  6.0426 8.7060   2.5864  26.721  8.2507 24.596  8.8306 2.125210       12.08524 
1 1 1 5  30 1  o 226.406 2.0750 513.790  6.6211  227.952 3.0645 224.861 2.7985 3.091064       4.150065 
1 1 1 5  30 3  o 195.762 2.0338 384.241  5.6216  196.744 2.9637 194.781 2.7861 1.963531       4.067700 
1 1 1 5  30 5  o 133.622 1.8330 178.963  3.4630  135.064 2.6074 132.181 2.5769 2.883362       3.665942 
1 1 1 5  30 7  o 41.659  5.9235 19.005   3.1868  46.653  5.6924 36.664  10.390 9.989307       11.84705 
1 1 1 5  30 9  o 87.426  2.5875 76.149   3.0703  84.977  3.0572 89.875  4.1753 -4.898148      5.174945 
1 1 1 5  30 11 o 144.745 2.0460 209.473  4.0597  142.662 2.4685 146.828 3.2635 -4.165894      4.091994 
1 1 1 5  30 13 f 101.287 2.2528 102.119  2.9237  99.382  2.3237 103.192 3.8603 -3.810463      4.505686 
1 1 1 5  30 15 o 130.681 2.0720 169.581  3.6844  125.753 2.4791 135.610 3.3206 -9.856667      4.143989 
1 1 1 5  30 17 o 88.833  3.1099 79.298   3.3973  88.039  2.9509 89.627  5.4752 -1.588371      6.219747 
1 1 1 5  30 19 o 39.888  4.9833 15.746   2.6140  32.932  6.5435 46.845  7.5178 -13.91241      9.966646 
1 1 1 5  30 21 o 33.067  6.0570 11.057   2.9030  22.735  8.1614 43.400  8.9522 -20.66569      12.11408 
1 1 1 5  30 23 o 29.042  5.9581 8.9173   2.9809  35.697  7.0434 22.387  9.6118 13.30967       11.91627 
1 1 1 5  30 25 o 24.625  6.4595 5.0902   3.1234  26.736  8.2497 22.514  9.9419 4.222286       12.91894 
1 1 1 5  30 27 o 25.612  6.6098 7.0155   2.9882  23.641  8.3710 27.583  10.231 -3.941652      13.21953 
1 1 1 5  30 29 o 44.797  4.8247 23.483   2.7140  49.276  4.6865 40.317  8.4349 8.958652       9.649361 
1 1 1 5  30 31 f 30.748  6.3113 12.658   2.9121  32.678  7.7119 28.819  9.9929 3.858719       12.62263 
1 1 1 5  30 33 o 39.561  5.3957 20.280   2.7921  44.713  5.4229 34.408  9.3298 10.30550       10.79131 
1 1 1 5  31 0  o 229.906 3.0145 529.982  13.856  229.906 3.0145 ?       ?      0.000000       0.000000 
1 1 1 5  31 2  o 262.937 2.1777 694.364  8.0491  263.321 3.2668 262.553 2.8805 0.7682495      4.355381 
1 1 1 5  31 4  o 248.990 2.2214 622.718  7.8175  251.961 3.1849 246.019 3.0976 5.942001       4.442838 
1 1 1 5  31 6  o 261.150 2.2040 685.356  8.1386  264.038 3.1267 258.262 3.1072 5.776184       4.408084 
1 1 1 5  31 8  o 30.452  6.1445 9.5836   2.7712  25.327  8.3022 35.577  9.0606 -10.25011      12.28900 
1 1 1 5  31 10 f 83.922  2.6114 70.362   2.9280  82.036  2.9557 85.808  4.3060 -3.772507      5.222791 
1 1 1 5  31 12 o 73.752  3.2099 54.955   3.0756  73.470  3.3789 74.034  5.4587 -0.5640335     6.419814 
1 1 1 5  31 14 o 47.878  4.6601 23.485   3.1144  47.285  5.9826 48.470  7.1466 -1.184685      9.320120 
1 1 1 5  31 16 f 25.038  6.1099 4.6971   2.8127  17.405  7.5434 32.672  9.6134 -15.26715      12.21971 
1 1 1 5  31 18 o 47.460  6.0420 24.800   3.5697  50.465  5.7200 44.454  10.644 6.010540       12.08393 
1 1 1 5  31 20 f 60.953  3.9504 38.849   2.9209  62.887  3.5804 59.020  7.0430 3.866886       7.900765 
1 1 1 5  31 22 o 33.944  6.4027 12.738   3.0703  28.359  8.4974 39.529  9.5798 -11.17017      12.80538 
1 1 1 5  31 24 o 52.255  4.5492 29.552   3.1697  54.456  4.9827 50.053  7.6126 4.403378       9.098330 
1 1 1 5  31 26 o 24.335  6.0233 5.3370   3.0106  29.440  8.2821 19.230  8.7480 10.20962       12.04659 
1 1 1 5  31 28 f 19.721  6.2203 1.2564   3.1234  16.275  7.2701 23.167  10.095 -6.891264      12.44056 
1 1 1 5  31 30 o 17.797  5.5108 -0.2418  2.8757  19.508  7.8109 16.086  7.7761 3.421700       11.02170 
1 1 1 5  31 32 o 17.127  5.6656 -1.1777  3.2290  14.039  6.7510 20.215  9.1006 -6.175253      11.33124 
1 1 1 5  32 1  o 33.923  6.3843 12.528   3.1175  33.389  9.0933 34.457  8.9638 -1.068157      12.76862 
1 1 1 5  32 3  f 123.543 1.9595 153.059  3.3583  122.469 2.4513 124.616 3.0577 -2.146698      3.918945 
1 1 1 5  32 5  o 165.434 2.0004 274.796  4.6585  167.126 2.9708 163.743 2.6796 3.382843       4.000738 
1 1 1 5  32 7  o 93.586  2.4179 87.428   3.0703  91.062  2.8529 96.110  3.9045 -5.048393      4.835719 
1 1 1 5  32 9  o 43.285  4.9801 21.172   2.6532  51.654  4.4707 34.915  8.9005 16.73919       9.960163 
1 1 1 5  32 11 o 61.299  3.4281 38.137   2.8889  61.286  4.1448 61.312  5.4614 -0.2529144E-01 6.856125 
1 1 1 5  32 13 o 78.625  3.0805 61.164   3.2144  74.015  3.5101 83.235  5.0633 -9.220131      6.161001 
1 1 1 5  32 15 o 74.241  3.1453 56.554   3.1495  76.051  3.5679 72.431  5.1810 3.620331       6.290634 
1 1 1 5  32 17 o 64.700  4.4325 41.298   3.4066  60.265  4.1193 69.134  7.8497 -8.868725      8.864927 
1 1 1 5  32 19 o 21.109  6.2762 1.8577   2.9837  20.066  7.8837 22.152  9.7679 -2.086105      12.55245 
1 1 1 5  32 21 o 48.353  6.5178 26.850   3.1184  51.030  4.1860 45.676  12.345 5.353874       13.03565 
1 1 1 5  32 23 o 25.503  6.6156 6.2455   3.0416  19.363  7.9668 31.643  10.564 -12.28022      13.23120 
1 1 1 5  32 25 o 15.956  5.3443 -4.4969  3.1456  15.403  7.2118 16.510  7.8891 -1.106956      10.68866 
1 1 1 5  32 27 o 17.334  5.6927 -2.1574  3.2087  15.012  7.0678 19.656  8.9260 -4.643831      11.38539 
1 1 1 5  32 29 o 20.173  6.2597 2.3279   3.3084  16.759  7.6318 23.587  9.9242 -6.828249      12.51939 
1 1 1 5  33 0  o 12.767  8.7586 -3.4639  6.8124  12.767  8.7586 ?       ?      0.000000       0.000000 
1 1 1 5  33 2  o 20.318  6.0919 -0.3953  3.1976  22.930  9.0539 17.706  8.1530 5.224380       12.18375 
1 1 1 5  33 4  o 78.720  2.6715 62.515   2.9662  79.563  3.9183 77.877  3.6325 1.685570       5.343057 
1 1 1 5  33 6  o 94.047  2.4562 88.393   3.1083  91.724  2.8324 96.370  4.0138 -4.646690      4.912488 
1 1 1 5  33 8  o 78.165  3.1056 62.790   3.1868  80.713  3.2903 75.617  5.2680 5.095757       6.211119 
1 1 1 5  33 10 o 43.145  5.3316 20.430   2.9317  47.123  5.2681 39.168  9.2710 7.955002       10.66324 
1 1 1 5  33 12 o 61.931  3.6159 40.228   2.9097  65.233  3.7171 58.630  6.2035 6.602501       7.231895 
1 1 1 5  33 14 o 75.179  3.3408 57.676   3.2753  74.934  3.5440 75.424  5.6643 -0.4895020     6.681605 
1 1 1 5  33 16 o 30.552  6.7469 10.398   3.1087  31.120  7.7999 29.984  11.011 1.135527       13.49378 
1 1 1 5  33 18 o 34.539  6.6801 14.015   3.2006  36.194  7.1123 32.884  11.310 3.310616       13.36012 
1 1 1 5  33 20 o 33.210  6.6139 11.935   3.2635  22.385  8.4670 44.035  10.163 -21.65045      13.22778 
1 1 1 5  33 22 o 22.525  6.3911 4.5355   2.9697  19.276  7.9550 25.773  10.005 -6.497143      12.78215 
1 1 1 5  33 24 o 32.303  7.0602 14.077   3.4476  32.763  8.4149 31.842  11.339 0.9211674      14.12038 
1 1 1 5  33 26 o 17.498  5.8258 -1.5938  3.1800  14.642  6.8165 20.355  9.4497 -5.713058      11.65168 
1 1 1 5  33 28 o 25.266  6.6566 9.7485   3.2582  26.877  8.6847 23.655  10.090 3.221346       13.31319 
1 1 1 5  34 1  o 138.228 2.2004 192.814  4.2993  141.522 3.1003 134.934 3.1233 6.587799       4.400828 
1 1 1 5  34 3  o 132.016 2.4949 176.794  4.6473  136.596 3.3812 127.435 3.6696 9.160820       4.989805 
1 1 1 5  34 5  o 124.491 2.2989 157.255  3.8011  125.801 2.5241 123.182 3.8431 2.618797       4.597886 
1 1 1 5  34 7  f 83.184  3.0007 70.993   3.3068  85.028  3.2591 81.340  5.0393 3.688133       6.001383 
1 1 1 5  34 9  o 41.172  5.2049 18.369   2.8809  43.191  6.0151 39.153  8.4960 4.038132       10.40972 
1 1 1 5  34 11 o 113.110 2.3835 130.015  3.6451  113.701 2.7419 112.520 3.8995 1.181229       4.766939 
1 1 1 5  34 13 o 138.637 2.2137 194.064  4.2807  136.189 2.8402 141.085 3.3964 -4.895370      4.427446 
1 1 1 5  34 15 o 37.287  5.3887 18.530   3.0260  52.439  4.4037 22.135  9.8367 30.30447       10.77741 
1 1 1 5  34 17 o 17.960  5.8027 -3.1897  3.3475  18.558  8.0964 17.361  8.3148 1.197163       11.60549 
1 1 1 5  34 19 o 32.790  6.7164 13.409   3.2089  32.454  8.3216 33.126  10.545 -0.6711044     13.43279 
1 1 1 5  34 21 o 22.122  5.6769 1.8474   3.1522  28.183  8.1450 16.060  7.9101 12.12292       11.35387 
1 1 1 5  34 23 o 19.440  6.1912 0.8506   3.4919  19.046  8.1997 19.835  9.2784 -0.7889194     12.38238 
1 1 1 5  34 25 o 23.094  7.0037 6.0169   3.7458  21.294  8.5956 24.894  11.060 -3.600157      14.00743 
1 1 1 5  34 27 o 17.224  5.6529 -0.8491  3.1880  15.672  7.2927 18.776  8.6395 -3.103555      11.30590 
1 1 1 5  35 0  o 64.692  4.1400 42.837   5.3114  64.692  4.1400 ?       ?      0.000000       0.000000 
1 1 1 5  35 2  o 69.172  3.8348 49.986   3.7181  72.323  4.9492 66.020  5.8589 6.302750       7.669510 
1 1 1 5  35 4  o 44.533  5.9032 22.092   3.5896  46.710  7.1686 42.356  9.3811 4.354252       11.80646 
1 1 1 5  35 6  o 23.471  5.8351 4.1567   2.7981  27.870  7.7834 19.073  8.6954 8.796921       11.67016 
1 1 1 5  35 8  f 35.962  6.4698 14.631   3.2290  31.770  8.5379 40.153  9.7229 -8.383139      12.93950 
1 1 1 5  35 10 o 82.157  2.8603 69.522   3.0846  83.140  3.0553 81.174  4.8362 1.965988       5.720525 
1 1 1 5  35 12 o 90.203  2.8058 82.714   3.3362  88.099  3.0800 92.307  4.6908 -4.207771      5.611562 
1 1 1 5  35 14 o 31.571  6.8693 12.079   3.4246  34.974  7.6391 28.168  11.419 6.806473       13.73869 
1 1 1 5  35 16 o 45.286  5.0209 22.640   2.8147  43.651  5.0258 46.920  8.6936 -3.268330      10.04176 
1 1 1 5  35 18 o 30.539  7.0861 12.573   3.4744  32.164  8.2240 28.914  11.542 3.250177       14.17210 
1 1 1 5  35 20 o 50.676  5.1053 28.881   3.4639  43.316  6.3975 58.037  7.9580 -14.72095      10.21069 
1 1 1 5  35 22 o 28.752  6.7415 11.695   3.2678  30.912  8.7542 26.592  10.255 4.319706       13.48303 
1 1 1 5  35 24 o 21.890  6.5765 6.0533   3.5003  21.722  8.7182 22.058  9.8487 -0.3363018     13.15308 
1 1 1 5  36 1  o 107.312 2.6840 118.133  4.0699  110.279 3.7169 104.346 3.8730 5.932892       5.368005 
1 1 1 5  36 3  o 83.397  3.1046 71.638   3.5629  82.316  3.7873 84.477  4.9205 -2.160774      6.209270 
1 1 1 5  36 5  o 48.923  4.1921 25.149   2.7931  47.076  5.0281 50.769  6.7092 -3.692829      8.384216 
1 1 1 5  36 7  o 25.438  6.7554 5.2129   3.7594  29.746  9.3894 21.131  9.7149 8.615465       13.51076 
1 1 1 5  36 9  o 28.655  6.4168 9.5824   2.8123  26.385  8.1529 30.924  9.9112 -4.538948      12.83360 
1 1 1 5  36 11 o 29.881  6.3459 11.049   3.1022  34.537  7.5624 25.224  10.193 9.312691       12.69173 
1 1 1 5  36 13 o 50.938  4.6494 29.353   3.0846  52.403  4.8475 49.473  7.9352 2.929550       9.298728 
1 1 1 5  36 15 o 55.690  5.4748 38.642   3.4748  65.333  4.3300 46.047  10.057 19.28551       10.94950 
1 1 1 5  36 17 o 20.968  6.3113 3.8501   2.9891  19.374  7.7295 22.561  9.9792 -3.187185      12.62265 
1 1 1 5  36 19 o 54.217  5.9891 37.429   3.8806  59.370  5.2510 49.064  10.766 10.30573       11.97814 
1 1 1 5  36 21 o 20.450  6.4537 3.8732   3.7348  20.171  8.6009 20.729  9.6243 -0.5578976     12.90742 
1 1 1 5  37 0  o 33.377  12.093 16.511   7.3897  33.377  12.093 ?       ?      0.000000       0.000000 
1 1 1 5  37 2  o 42.704  6.0540 22.771   3.4876  50.678  6.2656 34.730  10.361 15.94802       12.10803 
1 1 1 5  37 4  o 55.854  4.1962 34.335   3.2044  57.231  4.9429 54.477  6.7824 2.754009       8.392453 
1 1 1 5  37 6  o 47.683  6.3148 28.847   3.4379  53.001  4.9017 42.364  11.640 10.63704       12.62954 
1 1 1 5  37 8  o 22.561  6.5063 5.0958   3.0756  20.445  8.1291 24.676  10.161 -4.230854      13.01256 
1 1 1 5  37 10 o 22.673  6.6996 4.3634   3.4667  18.665  8.2003 26.681  10.597 -8.015778      13.39928 
1 1 1 5  37 12 o 21.146  6.0582 3.9682   2.6863  16.530  7.1699 25.762  9.7673 -9.232056      12.11641 
1 1 1 5  37 14 o 16.136  5.5133 -6.0042  3.6251  14.756  7.1113 17.517  8.4271 -2.761362      11.02664 
1 1 1 5  37 16 o 21.280  6.1878 4.0915   3.2089  23.492  8.7030 19.068  8.7985 4.424204       12.37562 
1 1 1 5  37 18 f 35.116  6.0231 19.287   3.2294  45.335  5.2212 24.896  10.856 20.43885       12.04614 
1 1 1 5  38 1  o 24.988  7.2355 7.1863   4.1394  26.077  9.9164 23.900  10.539 2.176971       14.47095 
1 1 1 5  38 3  f 52.126  4.4353 30.426   3.1880  50.230  5.5169 54.023  6.9463 -3.793312      8.870600 
1 1 1 5  38 5  o 61.650  5.3745 47.730   3.7252  71.926  4.1738 51.373  9.9056 20.55286       10.74907 
1 1 1 5  38 7  o 29.615  7.1749 12.884   3.7085  31.926  9.0107 27.304  11.168 4.622744       14.34972 
1 1 1 5  38 9  o 45.606  5.8990 25.846   3.6638  38.719  8.4352 52.492  8.2487 -13.77284      11.79807 
1 1 1 5  38 11 o 24.439  6.4139 7.6300   3.1456  27.437  8.8720 21.441  9.2650 5.996542       12.82779 
1 1 1 5  38 13 o 21.604  6.4014 5.7609   2.9351  18.280  7.5619 24.929  10.331 -6.649143      12.80289 
1 1 1 5  38 15 o 22.622  6.4429 5.9580   3.4639  25.357  9.0218 19.887  9.2007 5.469854       12.88583 
1 1 1 5  39 0  o 50.097  12.252 34.986   10.623  50.097  12.252 ?       ?      0.000000       0.000000 
1 1 1 5  39 2  o 27.614  7.1547 11.510   3.6965  29.192  8.9999 26.036  11.125 3.156115       14.30947 
1 1 1 5  39 4  o 30.364  5.6736 12.905   3.2706  40.322  6.1567 20.406  9.5319 19.91613       11.34729 
1 1 1 5  39 6  o 25.052  7.3029 9.7616   3.9763  20.577  8.8512 29.526  11.618 -8.949142      14.60585 
1 1 1 5  39 8  o 30.780  7.3728 15.145   3.5234  28.386  8.7205 33.173  11.891 -4.786369      14.74570 
1 1 1 5  39 10 o 37.736  6.9057 21.543   3.7838  42.810  7.8444 32.663  11.368 10.14755       13.81144 
1 1 1 6  1  1  o 822.368 4.8628 6802.80  55.741  847.675 6.1160 797.060 7.5619 50.61469       9.725571 
1 1 1 6  1  3  o 836.624 4.8620 6998.50  57.501  823.367 6.8294 849.881 6.9221 -26.51343      9.723988 
1 1 1 6  1  5  o 727.001 4.3630 5284.84  44.828  720.451 6.0661 733.551 6.2726 -13.09979      8.726000 
1 1 1 6  1  7  o 794.192 4.6365 6309.25  52.060  798.439 6.6305 789.945 6.4825 8.493408       9.272916 
1 1 1 6  1  9  o 292.334 1.8851 854.216  7.7870  295.611 2.7146 289.056 2.6164 6.554840       3.770270 
1 1 1 6  1  11 o 286.432 1.8884 820.550  7.6494  286.402 2.6810 286.463 2.6603 -0.6072998E-01 3.776860 
1 1 1 6  1  13 o 426.956 2.6686 1827.34  15.729  430.483 3.2589 423.428 4.2267 7.055176       5.337156 
1 1 1 6  1  15 o 747.053 4.4240 5570.69  45.375  740.644 5.3473 753.462 7.0493 -12.81848      8.847934 
1 1 1 6  1  17 o 380.132 2.4568 1431.15  12.657  369.320 2.8919 390.944 3.9724 -21.62360      4.913605 
1 1 1 6  1  19 o 242.126 1.7141 581.661  5.6658  235.977 2.0551 248.275 2.7439 -12.29706      3.428167 
1 1 1 6  1  21 o 234.741 1.7374 552.797  5.7407  243.153 2.3031 226.329 2.6018 16.82365       3.474726 
1 1 1 6  1  23 o 371.891 2.3163 1383.48  12.181  370.750 3.3012 373.033 3.2501 -2.283051      4.632593 
1 1 1 6  1  25 o 173.534 1.7327 300.000  4.0182  175.323 2.8648 171.746 1.9497 3.576706       3.465327 
1 1 1 6  1  27 o 158.821 1.3759 251.876  3.0755  161.091 2.0428 156.551 1.8439 4.539291       2.751884 
1 1 1 6  1  29 o 399.990 2.7526 1601.67  15.531  399.340 3.7299 400.641 4.0492 -1.300385      5.505284 
1 1 1 6  1  31 o 53.909  2.1689 29.127   1.6327  53.582  3.3401 54.236  2.7676 -0.6536751     4.337759 
1 1 1 6  1  33 o 99.900  1.4269 97.893   1.9612  107.200 2.2081 92.600  1.8080 14.59957       2.853856 
1 1 1 6  1  35 o 91.562  1.6780 82.897   2.0999  95.203  2.6682 87.922  2.0356 7.281326       3.356024 
1 1 1 6  1  37 o 32.334  4.3855 11.058   1.8422  29.778  7.5479 34.890  4.4677 -5.111790      8.771012 
1 1 1 6  1  39 o 87.153  1.8979 74.302   2.2352  93.105  3.0384 81.201  2.2751 11.90478       3.795783 
1 1 1 6  1  41 o 17.449  5.1150 0.6832   2.0383  20.334  7.9839 14.564  6.3960 5.769768       10.22997 
1 1 1 6  1  43 o 18.455  5.4957 0.8522   2.2873  20.449  8.6101 16.461  6.8321 3.987387       10.99144 
1 1 1 6  1  45 o 13.258  4.4122 -3.4687  1.9328  14.686  6.9388 11.830  5.4518 2.856201       8.824390 
1 1 1 6  1  47 o 51.569  4.1305 29.431   2.5524  46.488  7.4512 56.649  3.5669 -10.16111      8.260972 
1 1 1 6  1  49 o 53.258  4.3615 30.068   2.6001  55.229  7.9445 51.288  3.6021 3.941128       8.722999 
1 1 1 6  1  51 o 29.138  6.6740 11.920   3.7546  22.914  10.456 35.362  8.2970 -12.44864      13.34801 
1 1 1 6  2  2  o 399.948 2.6244 1601.56  14.336  398.441 4.2309 401.455 3.1062 -3.013916      5.248780 
1 1 1 6  2  4  o 793.096 4.6813 6290.23  52.486  785.622 6.5476 800.570 6.6922 -14.94843      9.362505 
1 1 1 6  2  6  o 467.650 2.8628 2185.13  18.911  459.289 3.9721 476.011 4.1236 -16.72253      5.725554 
1 1 1 6  2  8  o 339.583 2.1995 1152.25  10.554  332.724 3.0712 346.441 3.1496 -13.71698      4.399091 
1 1 1 6  2  10 o 524.960 3.1494 2756.54  23.379  527.796 4.4738 522.125 4.4339 5.671265       6.298778 
1 1 1 6  2  12 o 248.063 1.6781 614.007  5.8683  254.310 2.4518 241.817 2.2919 12.49365       3.356212 
1 1 1 6  2  14 o 479.982 2.9766 2304.67  19.776  480.002 3.6804 479.961 4.6791 0.4177856E-01  5.953106 
1 1 1 6  2  16 o 340.939 2.2684 1163.90  10.625  342.392 2.7316 339.486 3.6222 2.906677       4.536741 
1 1 1 6  2  18 o 480.654 2.9504 2323.86  19.804  497.158 3.7392 464.150 4.5648 33.00818       5.900808 
1 1 1 6  2  20 o 258.479 1.8273 665.739  6.5107  254.909 2.2422 262.049 2.8861 -7.140015      3.654695 
1 1 1 6  2  22 o 474.109 3.0721 2249.87  20.481  475.955 4.0635 472.264 4.6087 3.690430       6.144238 
1 1 1 6  2  24 o 206.264 1.6276 425.224  4.6996  207.170 2.4802 205.358 2.1085 1.812103       3.255289 
1 1 1 6  2  26 o 151.605 1.3201 229.949  2.8277  150.653 1.9161 152.558 1.8165 -1.905090      2.640236 
1 1 1 6  2  28 o 104.326 1.3891 108.847  2.0491  105.543 1.9692 103.109 1.9597 2.434097       2.778174 
1 1 1 6  2  30 o 165.879 1.4042 275.361  3.2867  165.077 2.0634 166.682 1.9050 -1.605301      2.808319 
1 1 1 6  2  32 o 20.057  4.8728 3.5038   1.5767  23.096  7.6863 17.018  5.9914 6.078339       9.745588 
1 1 1 6  2  34 o 67.881  2.1088 46.695   1.9813  63.877  3.3441 71.885  2.5700 -8.007862      4.217527 
1 1 1 6  2  36 o 85.103  1.8813 74.298   2.1802  76.952  3.0760 93.254  2.1668 -16.30248      3.762549 
1 1 1 6  2  38 o 69.178  2.1072 47.987   1.9398  69.104  3.5089 69.253  2.3342 -0.1495743     4.214334 
1 1 1 6  2  40 o 18.012  5.1170 1.0782   2.0166  21.648  8.0270 14.375  6.3485 7.273314       10.23408 
1 1 1 6  2  42 o 30.250  5.3166 9.7692   2.1748  30.043  8.7154 30.456  6.0916 -0.4128017     10.63323 
1 1 1 6  2  44 o 50.347  3.7030 26.354   2.3650  48.328  6.4509 52.366  3.6382 -4.037914      7.406078 
1 1 1 6  2  46 o 86.344  2.2425 74.042   2.5648  90.291  3.7085 82.398  2.5223 7.892494       4.485036 
1 1 1 6  2  48 o 18.809  5.9520 0.6599   2.4025  22.528  10.079 15.090  6.3343 7.437902       11.90391 
1 1 1 6  2  50 o 18.083  5.9706 -1.0149  2.7073  24.372  10.518 11.795  5.6536 12.57692       11.94128 
1 1 1 6  2  52 o 15.553  5.3692 -3.2609  2.7751  18.885  9.0184 12.221  5.8293 6.663610       10.73839 
1 1 1 6  3  3  o 454.270 2.8455 2064.03  18.259  453.614 4.1363 454.926 3.9087 -1.312042      5.690953 
1 1 1 6  3  5  o 152.999 1.2277 233.562  2.5554  154.074 1.9859 151.924 1.4440 2.149490       2.455439 
1 1 1 6  3  7  o 218.715 1.5307 478.427  4.7340  220.629 2.1457 216.802 2.1836 3.827438       3.061388 
1 1 1 6  3  9  o 789.472 4.5374 6235.65  50.648  794.736 6.4725 784.207 6.3607 10.52948       9.074771 
1 1 1 6  3  11 o 365.316 2.5097 1338.70  12.856  372.655 3.2534 357.977 3.8222 14.67770       5.019308 
1 1 1 6  3  13 o 303.258 2.0773 919.792  8.8533  303.119 2.7426 303.397 3.1207 -0.2772522     4.154612 
1 1 1 6  3  15 o 305.651 2.0300 937.862  8.5843  310.565 2.4910 300.736 3.2059 9.829498       4.059901 
1 1 1 6  3  17 o 460.868 3.3485 2126.85  20.208  462.008 3.5738 459.729 5.6636 2.279633       6.696930 
1 1 1 6  3  19 o 241.207 1.6839 580.548  5.5458  239.451 2.0012 242.963 2.7088 -3.512543      3.367856 
1 1 1 6  3  21 o 228.025 1.6778 521.008  5.3070  229.977 2.0836 226.072 2.6303 3.904816       3.355583 
1 1 1 6  3  23 o 116.881 1.2608 136.899  2.0768  119.796 1.6867 113.967 1.8743 5.829109       2.521531 
1 1 1 6  3  25 o 215.262 1.5653 463.489  4.7585  215.154 2.2808 215.371 2.1445 -0.2172394     3.130635 
1 1 1 6  3  27 o 379.158 2.6143 1435.85  13.910  373.862 3.4436 384.454 3.9344 -10.59262      5.228540 
1 1 1 6  3  29 o 68.702  1.6175 47.088   1.5246  69.370  2.5799 68.034  1.9517 1.335793       3.235011 
1 1 1 6  3  31 o 37.867  3.0927 14.972   1.5053  34.421  5.3672 41.313  3.0744 -6.892212      6.185392 
1 1 1 6  3  33 o 155.208 1.6614 242.622  3.5803  150.436 2.6096 159.980 2.0570 -9.544632      3.322831 
1 1 1 6  3  35 o 106.713 1.5914 114.169  2.3928  104.789 2.3690 108.637 2.1257 -3.848358      3.182900 
1 1 1 6  3  37 o 125.504 1.5672 157.068  2.7279  127.759 2.4402 123.248 1.9674 4.510849       3.134493 
1 1 1 6  3  39 o 81.374  2.0797 67.457   2.3093  76.737  3.3855 86.011  2.4164 -9.274506      4.159419 
1 1 1 6  3  41 o 74.160  2.5349 56.202   2.3815  71.938  4.4139 76.381  2.4943 -4.442902      5.069890 
1 1 1 6  3  43 o 75.969  2.4420 59.528   2.4155  71.761  4.1835 80.176  2.5202 -8.415672      4.883936 
1 1 1 6  3  45 o 38.690  4.8100 15.478   2.3040  40.130  8.3342 37.249  4.8047 2.881207       9.620001 
1 1 1 6  3  47 o 33.030  5.5855 11.716   2.5038  41.217  8.2753 24.842  7.5042 16.37547       11.17108 
1 1 1 6  3  49 o 28.578  5.4932 10.166   2.5058  22.734  9.3905 34.421  5.7026 -11.68698      10.98640 
1 1 1 6  3  51 o 34.258  6.7631 16.557   3.1800  33.588  11.458 34.928  7.1884 -1.339870      13.52629 
1 1 1 6  4  2  f 1067.70 7.1211 11406.53 107.483 1060.24 9.9375 1075.16 10.202 -14.92078      14.24228 
1 1 1 6  4  4  o 1384.93 13.768 19304.14 258.840 1398.08 15.981 1371.79 22.423 26.29309       27.53514 
1 1 1 6  4  6  f 107.590 1.1920 116.908  1.7823  101.768 1.8721 113.413 1.4762 -11.64454      2.384094 
1 1 1 6  4  8  f 771.031 4.8201 5935.32  51.824  780.050 7.4159 762.012 6.1595 18.03821       9.640301 
1 1 1 6  4  10 o 411.638 2.5285 1693.56  14.707  418.865 3.6249 404.412 3.5261 14.45306       5.057014 
1 1 1 6  4  12 o 420.423 2.5340 1766.99  15.057  428.212 3.6132 412.634 3.5538 15.57831       5.067998 
1 1 1 6  4  14 o 503.485 3.0623 2534.02  21.310  502.111 3.7713 504.859 4.8257 -2.747864      6.124564 
1 1 1 6  4  16 o 534.125 3.2984 2855.00  24.234  535.125 3.9918 533.124 5.2521 2.001160       6.596863 
1 1 1 6  4  18 o 806.364 4.7237 6504.68  52.621  805.729 5.8038 807.000 7.4544 -1.271301      9.447363 
1 1 1 6  4  20 o 164.921 1.3449 270.647  3.0491  161.964 1.6397 167.877 2.1322 -5.913025      2.689728 
1 1 1 6  4  22 o 254.921 1.7468 650.375  6.2053  255.785 2.2119 254.057 2.7042 1.728470       3.493591 
1 1 1 6  4  24 o 165.846 1.3981 275.246  3.2310  166.319 1.7703 165.374 2.1644 0.9447479      2.796199 
1 1 1 6  4  26 o 227.700 1.8652 518.740  6.0019  226.862 2.6975 228.538 2.5767 -1.676575      3.730396 
1 1 1 6  4  28 o 101.219 1.3063 103.224  1.8312  97.880  2.0644 104.558 1.6013 -6.678040      2.612609 
1 1 1 6  4  30 o 149.119 1.7013 222.552  3.5645  149.396 2.2413 148.842 2.5600 0.5535583      3.402510 
1 1 1 6  4  32 o 55.695  2.2108 31.072   1.7146  55.584  3.4276 55.805  2.7932 -0.2219048     4.421576 
1 1 1 6  4  34 o 152.253 1.5471 232.353  3.3073  150.482 2.3403 154.024 2.0241 -3.541168      3.094130 
1 1 1 6  4  36 o 25.194  4.7860 6.1232   1.7825  32.126  7.0222 18.261  6.5048 13.86551       9.572032 
1 1 1 6  4  38 o 24.831  5.0728 6.0593   1.8819  29.773  7.5487 19.888  6.7787 9.884752       10.14559 
1 1 1 6  4  40 o 46.191  3.0764 20.853   1.9398  51.048  4.7500 41.334  3.9108 9.713078       6.152786 
1 1 1 6  4  42 o 41.472  3.7749 16.540   2.0244  46.249  6.2414 36.695  4.2480 9.554688       7.549871 
1 1 1 6  4  44 o 31.046  6.1806 9.2014   2.4698  38.917  10.137 23.176  7.0747 15.74099       12.36129 
1 1 1 6  4  46 o 28.374  6.1318 8.8771   2.8512  24.307  9.5063 32.442  7.7477 -8.134109      12.26360 
1 1 1 6  4  48 o 47.422  4.5192 26.194   2.5123  40.095  8.2025 54.749  3.7962 -14.65370      9.038366 
1 1 1 6  4  50 o 21.111  6.1209 4.4754   2.6603  24.247  9.8086 17.975  7.3248 6.271315       12.24183 
1 1 1 6  5  1  o 587.854 3.6072 3454.71  29.972  579.368 5.0421 596.341 5.1600 -16.97278      7.214498 
1 1 1 6  5  3  o 308.094 2.0123 944.228  8.7111  295.420 2.7164 320.769 2.9697 -25.34872      4.024659 
1 1 1 6  5  5  o 1040.81 6.4811 10842.91 94.437  1041.54 9.8831 1040.08 8.3872 1.461670       12.96228 
1 1 1 6  5  7  o 561.599 3.6366 3151.56  28.594  557.697 4.7205 565.502 5.5333 -7.805054      7.273254 
1 1 1 6  5  9  o 343.369 2.2698 1177.38  10.655  345.183 3.6461 341.556 2.7044 3.627625       4.539588 
1 1 1 6  5  11 o 263.919 1.9183 694.731  7.0317  267.205 2.9816 260.632 2.4144 6.572693       3.836619 
1 1 1 6  5  13 o 302.558 2.1635 915.547  9.1098  302.516 2.7290 302.601 3.3579 -0.8453369E-01 4.326975 
1 1 1 6  5  15 o 985.107 5.7422 9730.20  78.108  992.709 7.0195 977.505 9.0895 15.20435       11.48439 
1 1 1 6  5  17 o 595.648 3.5891 3563.93  29.772  608.564 4.5062 582.731 5.5877 25.83350       7.178256 
1 1 1 6  5  19 o 293.615 1.9773 858.092  7.9237  289.118 2.3563 298.112 3.1760 -8.994232      3.954630 
1 1 1 6  5  21 o 247.854 1.7329 615.483  5.9721  249.942 2.1712 245.765 2.7014 4.176437       3.465846 
1 1 1 6  5  23 o 102.159 1.1813 104.456  1.6987  102.894 1.5710 101.423 1.7646 1.470406       2.362612 
1 1 1 6  5  25 o 271.274 1.8889 735.724  7.0614  270.701 2.3033 271.847 2.9944 -1.146942      3.777806 
1 1 1 6  5  27 o 140.780 1.3778 198.286  2.7420  141.888 1.9124 139.672 1.9840 2.215225       2.755641 
1 1 1 6  5  29 o 162.489 1.4706 264.249  3.3771  164.870 2.0310 160.108 2.1274 4.762054       2.941240 
1 1 1 6  5  31 o 56.434  2.0352 31.503   1.5650  58.520  3.2556 54.347  2.4433 4.173065       4.070404 
1 1 1 6  5  33 o 59.585  2.2893 36.458   1.7825  56.081  3.9119 63.089  2.3793 -7.008072      4.578640 
1 1 1 6  5  35 o 33.686  3.4553 11.249   1.6043  35.375  5.3857 31.997  4.3303 3.377340       6.910643 
1 1 1 6  5  37 o 130.156 1.6622 171.309  2.9477  125.959 2.7042 134.352 1.9337 -8.393219      3.324441 
1 1 1 6  5  39 o 55.968  2.8931 33.703   1.9757  48.991  5.1851 62.944  2.5681 -13.95361      5.786247 
1 1 1 6  5  41 o 22.459  4.8747 3.0598   1.9757  32.420  7.8973 12.498  5.7170 19.92218       9.749442 
1 1 1 6  5  43 o 44.615  3.5182 19.526   2.0874  48.560  5.7067 40.671  4.1166 7.889221       7.036477 
1 1 1 6  5  45 o 28.028  5.1367 8.6936   2.1966  22.241  8.9056 33.815  5.1219 -11.57414      10.27344 
1 1 1 6  5  47 f 26.575  6.1597 7.5822   2.3863  29.937  10.087 23.213  7.0725 6.723896       12.31939 
1 1 1 6  5  49 o 32.516  5.7710 13.509   2.6603  27.270  10.145 37.761  5.5040 -10.49102      11.54193 
1 1 1 6  5  51 o 19.918  6.4229 2.1947   3.9873  22.223  9.8367 17.614  8.2614 4.608774       12.84571 
1 1 1 6  6  0  o 714.117 6.1695 5101.92  88.099  714.117 6.1695 ?       ?      0.000000       0.000000 
1 1 1 6  6  2  o 236.324 1.6572 556.319  5.5128  227.811 2.2555 244.836 2.4287 -17.02492      3.314485 
1 1 1 6  6  4  o 701.117 4.1313 4917.59  40.952  702.998 5.9129 699.236 5.7713 3.761597       8.262542 
1 1 1 6  6  6  o 463.123 2.8651 2145.45  18.760  462.567 4.1062 463.679 3.9967 -1.112396      5.730167 
1 1 1 6  6  8  o 528.413 3.1289 2793.23  23.381  531.280 4.4227 525.546 4.4270 5.733887       6.257730 
1 1 1 6  6  10 o 595.689 3.8011 3549.89  31.800  597.141 5.7235 594.237 5.0034 2.904297       7.602165 
1 1 1 6  6  12 o 151.528 1.3341 227.549  2.8085  157.699 2.0501 145.357 1.7079 12.34157       2.668281 
1 1 1 6  6  14 o 361.897 2.4603 1310.26  12.581  364.291 3.3914 359.503 3.5651 4.787720       4.920532 
1 1 1 6  6  16 o 483.078 3.0769 2334.72  20.925  484.129 4.1022 482.026 4.5872 2.103027       6.153889 
1 1 1 6  6  18 o 177.253 1.4723 312.099  3.6624  185.769 2.1754 168.736 1.9844 17.03238       2.944568 
1 1 1 6  6  20 o 558.337 4.0699 3117.59  28.835  557.741 4.0783 558.933 7.0444 -1.192139      8.139794 
1 1 1 6  6  22 o 292.934 1.9780 859.774  8.0600  295.365 2.4824 290.503 3.0804 4.862000       3.956094 
1 1 1 6  6  24 o 507.603 3.1397 2582.88  22.196  511.748 3.9598 503.458 4.8735 8.290680       6.279423 
1 1 1 6  6  26 o 50.893  1.6411 25.416   1.1490  54.464  2.5440 47.323  2.0739 7.141010       3.282281 
1 1 1 6  6  28 o 235.512 2.1133 549.874  6.7547  228.973 2.4961 242.051 3.4107 -13.07755      4.226563 
1 1 1 6  6  30 o 71.515  1.7114 50.851   1.7146  74.416  2.5602 68.614  2.2718 5.801819       3.422787 
1 1 1 6  6  32 o 19.828  4.6230 3.6208   1.3725  21.263  7.5498 18.393  5.3375 2.869965       9.246052 
1 1 1 6  6  34 o 98.579  1.6631 97.181   2.2862  99.067  2.5642 98.091  2.1188 0.9757614      3.326296 
1 1 1 6  6  36 o 163.920 1.6548 270.290  3.7963  159.028 2.5412 168.812 2.1203 -9.784225      3.309641 
1 1 1 6  6  38 o 76.152  2.0414 58.122   2.0097  76.146  3.4876 76.158  2.1226 -0.1193237E-01 4.082756 
1 1 1 6  6  40 o 47.188  3.7113 22.631   2.0784  46.810  6.6599 47.565  3.2771 -0.7548370     7.422554 
1 1 1 6  6  42 o 31.830  5.2177 10.745   2.1496  30.462  9.1358 33.198  5.0431 -2.736307      10.43534 
1 1 1 6  6  44 o 18.056  5.1974 -0.5308  1.9884  25.700  9.1148 10.412  4.9973 15.28876       10.39484 
1 1 1 6  6  46 o 34.613  5.1235 13.102   2.2584  33.956  8.9023 35.270  5.0743 -1.313831      10.24693 
1 1 1 6  6  48 o 21.112  5.8415 4.1952   2.2323  24.518  9.5231 17.707  6.7678 6.811144       11.68300 
1 1 1 6  6  50 o 22.271  6.0181 5.1609   2.7340  20.590  9.4699 23.953  7.4290 -3.363737      12.03616 
1 1 1 6  7  1  o 62.880  1.2256 38.146   1.0483  70.132  1.8933 55.627  1.5568 14.50546       2.451181 
1 1 1 6  7  3  o 257.389 1.8410 662.095  6.6790  259.260 2.7167 255.517 2.4854 3.743057       3.682060 
1 1 1 6  7  5  o 495.821 3.0916 2459.15  21.678  494.069 4.3702 497.572 4.3743 -3.503479      6.183274 
1 1 1 6  7  7  o 848.861 4.9463 7213.31  59.377  847.325 7.0247 850.396 6.9654 -3.071533      9.892565 
1 1 1 6  7  9  f 473.467 2.8709 2241.58  19.214  480.254 4.0992 466.681 4.0205 13.57391       5.741799 
1 1 1 6  7  11 o 353.226 2.3332 1251.05  11.299  350.143 3.7428 356.310 2.7869 -6.166351      4.666418 
1 1 1 6  7  13 o 755.407 4.6944 5679.58  49.190  772.504 7.2940 738.310 5.9116 34.19446       9.388798 
1 1 1 6  7  15 o 505.865 3.8086 2560.49  26.051  506.258 4.3904 505.472 6.2247 0.7868042      7.617272 
1 1 1 6  7  17 o 625.327 4.5018 3917.23  38.154  627.631 5.2155 623.023 7.3391 4.608826       9.003520 
1 1 1 6  7  19 o 216.584 2.0248 462.167  5.7792  209.209 2.2352 223.960 3.3769 -14.75125      4.049669 
1 1 1 6  7  21 o 74.389  2.0962 52.784   2.0874  65.002  2.5757 83.775  3.3078 -18.77293      4.192360 
1 1 1 6  7  23 o 149.493 1.2642 224.400  2.6444  153.317 1.6192 145.668 1.9420 7.648941       2.528465 
1 1 1 6  7  25 o 101.443 1.2085 102.994  1.7320  104.118 1.6635 98.768  1.7536 5.349632       2.417051 
1 1 1 6  7  27 o 75.118  1.3339 56.465   1.4139  78.806  1.8315 71.429  1.9398 7.377342       2.667783 
1 1 1 6  7  29 o 83.355  1.4508 69.647   1.7026  77.988  2.1468 88.722  1.9521 -10.73421      2.901643 
1 1 1 6  7  31 o 178.027 1.6862 317.252  4.2416  179.002 2.3222 177.051 2.4456 1.951187       3.372435 
1 1 1 6  7  33 o 94.768  1.7498 89.878   2.3349  88.040  2.5574 101.496 2.3890 -13.45631      3.499690 
1 1 1 6  7  35 o 12.771  4.0333 -1.3813  1.4540  12.936  6.0590 12.606  5.3253 0.3299971      8.066646 
1 1 1 6  7  37 o 29.069  4.4450 8.5835   1.6705  29.593  7.5759 28.546  4.6516 1.046978       8.890012 
1 1 1 6  7  39 o 73.393  2.1750 54.448   2.0966  72.193  3.6786 74.593  2.3219 -2.399734      4.350093 
1 1 1 6  7  41 o 38.982  3.4946 14.916   1.8371  42.694  5.5442 35.270  4.2558 7.423546       6.989244 
1 1 1 6  7  43 o 19.503  5.2139 2.7174   1.9645  18.863  8.0269 20.143  6.6565 -1.280216      10.42785 
1 1 1 6  7  45 o 22.319  5.3331 4.6172   2.1154  19.693  8.5038 24.945  6.4385 -5.251711      10.66621 
1 1 1 6  7  47 o 37.416  4.8569 15.195   2.1925  37.748  8.6008 37.083  4.5148 0.6642761      9.713736 
1 1 1 6  7  49 o 18.529  5.6574 1.1101   2.7894  17.537  8.1839 19.521  7.8132 -1.984274      11.31471 
1 1 1 6  7  51 o 18.436  6.0652 0.5608   3.2990  20.055  9.6683 16.817  7.3261 3.238258       12.13042 
1 1 1 6  8  0  o 111.587 1.5010 124.586  3.3485  111.587 1.5010 ?       ?      0.000000       0.000000 
1 1 1 6  8  2  o 308.081 2.1334 946.388  9.2433  300.505 2.8626 315.657 3.1641 -15.15262      4.266813 
1 1 1 6  8  4  f 354.763 2.3762 1258.32  11.913  358.170 3.4172 351.356 3.3027 6.814331       4.752344 
1 1 1 6  8  6  o 372.142 2.4464 1385.29  12.874  368.830 3.4749 375.453 3.4444 -6.623352      4.892733 
1 1 1 6  8  8  o 363.925 2.3220 1324.78  11.950  363.901 3.2999 363.950 3.2677 -0.4855347E-01 4.644052 
1 1 1 6  8  10 o 526.092 3.1426 2768.51  23.379  521.217 4.4417 530.968 4.4471 -9.751770      6.285276 
1 1 1 6  8  12 o 854.201 4.9104 7299.83  59.310  846.405 6.9164 861.997 6.9721 -15.59216      9.820717 
1 1 1 6  8  14 o 446.330 3.0556 1992.81  19.280  444.155 4.3934 448.504 4.2478 -4.348389      6.111135 
1 1 1 6  8  16 o 299.454 2.6373 884.305  10.269  290.628 2.8208 308.280 4.4571 -17.65137      5.274697 
1 1 1 6  8  18 o 431.301 3.3915 1871.35  19.466  437.391 3.7354 425.211 5.6617 12.17990       6.782953 
1 1 1 6  8  20 f 258.039 2.3118 670.429  8.0034  262.704 2.5932 253.374 3.8279 9.329819       4.623611 
1 1 1 6  8  22 o 453.449 3.3864 2063.20  21.019  457.440 4.0260 449.459 5.4462 7.980438       6.772744 
1 1 1 6  8  24 o 249.935 2.3584 626.116  8.2113  252.177 2.9762 247.693 3.6594 4.483627       4.716822 
1 1 1 6  8  26 o 218.397 2.0779 473.085  5.2256  215.824 1.7655 220.971 3.7622 -5.147003      4.155887 
1 1 1 6  8  28 o 274.945 2.6683 757.919  10.019  276.203 3.1562 273.686 4.3032 2.517365       5.336632 
1 1 1 6  8  30 o 184.862 1.5355 342.290  3.9300  185.671 1.8967 184.053 2.4153 1.617950       3.071021 
1 1 1 6  8  32 o 160.473 1.5548 256.917  3.4876  157.768 2.0126 163.178 2.3705 -5.409821      3.109621 
1 1 1 6  8  34 o 112.260 1.5643 126.157  2.4811  112.026 2.2675 112.494 2.1555 -0.4678802     3.128525 
1 1 1 6  8  36 o 214.483 1.9611 460.646  5.9324  216.680 2.8776 212.285 2.6652 4.394730       3.922176 
1 1 1 6  8  38 o 102.727 1.7110 105.629  2.4704  103.666 2.5618 101.787 2.2688 1.879814       3.421968 
1 1 1 6  8  40 o 93.285  2.0726 87.902   2.6147  91.760  3.3975 94.810  2.3748 -3.050491      4.145216 
1 1 1 6  8  42 o 21.233  5.2107 4.1839   1.9018  20.766  7.9451 21.699  6.7441 -0.9328938     10.42148 
1 1 1 6  8  44 o 23.178  5.7402 5.1931   2.2352  24.346  8.9041 22.011  7.2467 2.334742       11.48032 
1 1 1 6  8  46 o 43.355  4.9457 21.668   2.5906  37.589  8.8842 49.122  4.3486 -11.53304      9.891364 
1 1 1 6  8  48 o 25.307  5.9545 7.7481   2.3650  26.966  9.3971 23.649  7.3158 3.317503       11.90904 
1 1 1 6  8  50 o 26.414  7.9541 10.629   5.2055  28.687  11.865 24.140  10.596 4.547035       15.90819 
1 1 1 6  9  1  o 624.640 3.8198 3903.60  33.736  619.669 5.3571 629.610 5.4467 -9.940552      7.639677 
1 1 1 6  9  3  o 875.334 5.1433 7664.54  63.595  859.915 7.1367 890.753 7.4081 -30.83765      10.28652 
1 1 1 6  9  5  o 342.986 2.3150 1176.51  11.225  344.962 3.3137 341.010 3.2336 3.952179       4.629981 
1 1 1 6  9  7  o 176.618 1.4332 311.844  3.5757  175.376 1.9751 177.860 2.0774 -2.483139      2.866498 
1 1 1 6  9  9  o 752.513 4.4051 5666.47  46.878  749.081 6.2427 755.945 6.2166 -6.863892      8.810103 
1 1 1 6  9  11 o 254.172 1.7428 646.067  6.2628  254.388 2.4964 253.957 2.4324 0.4310760      3.485519 
1 1 1 6  9  13 o 324.349 2.1036 1052.81  9.6399  329.556 2.8905 319.142 3.0572 10.41345       4.207298 
1 1 1 6  9  15 o 983.787 6.7825 9699.05  90.625  986.654 7.9051 980.921 11.024 5.733521       13.56505 
1 1 1 6  9  17 o 421.009 3.3009 1777.64  18.721  424.018 3.7579 417.999 5.4280 6.019318       6.601844 
1 1 1 6  9  19 f 657.659 4.6971 4343.90  42.115  664.752 5.5148 650.565 7.6052 14.18604       9.394255 
1 1 1 6  9  21 o 250.852 2.1618 625.776  7.3493  246.507 2.5294 255.197 3.5065 -8.690735      4.323577 
1 1 1 6  9  23 o 187.609 1.9775 351.282  4.8078  186.717 2.0716 188.501 3.3690 -1.783905      3.954944 
1 1 1 6  9  25 o 35.319  3.8240 12.019   1.7635  32.396  4.2771 38.243  6.3403 -5.847767      7.648080 
1 1 1 6  9  27 o 22.984  5.4224 4.3184   2.0784  17.071  6.7892 28.896  8.4567 -11.82516      10.84478 
1 1 1 6  9  29 o 32.800  4.7810 10.736   1.0616  32.584  1.9490 33.016  9.3613 -0.4320068     9.562056 
1 1 1 6  9  31 o 174.051 1.8910 300.479  3.9385  171.687 1.7149 176.414 3.3707 -4.726730      3.781906 
1 1 1 6  9  33 f 173.965 1.9309 308.388  4.2523  179.810 1.8943 168.120 3.3653 11.69038       3.861845 
1 1 1 6  9  35 o 93.947  2.8726 85.442   2.6699  90.495  1.9777 97.398  5.3940 -6.902992      5.745100 
1 1 1 6  9  37 o 77.314  2.8672 63.362   2.2315  82.072  1.8993 72.556  5.4107 9.515045       5.734345 
1 1 1 6  9  39 o 42.162  4.5961 17.532   2.5815  38.613  5.3825 45.712  7.4515 -7.098827      9.192175 
1 1 1 6  9  41 o 27.215  6.4607 6.6437   3.1975  31.178  8.2163 23.251  9.9728 7.927063       12.92148 
1 1 1 6  9  43 o 28.684  6.1270 8.7148   2.9515  33.857  7.6780 23.512  9.5502 10.34558       12.25391 
1 1 1 6  9  45 o 24.474  6.7581 4.9376   3.3710  21.468  8.8409 27.480  10.224 -6.011963      13.51626 
1 1 1 6  9  47 o 27.688  6.6862 9.2435   3.1375  24.048  8.8908 31.329  9.9887 -7.280077      13.37235 
1 1 1 6  9  49 f 30.211  6.8279 12.858   3.2177  32.227  7.4822 28.195  11.424 4.032236       13.65585 
1 1 1 6  10 0  o 653.150 5.6226 4268.73  73.435  653.150 5.6226 ?       ?      0.000000       0.000000 
1 1 1 6  10 2  o 633.648 3.8209 4018.42  34.234  630.721 5.4646 636.576 5.3418 -5.855652      7.641718 
1 1 1 6  10 4  o 139.973 1.2681 195.436  2.5031  135.745 1.7437 144.199 1.8417 -8.454102      2.536205 
1 1 1 6  10 6  o 87.488  1.2153 76.475   1.4988  82.044  1.7592 92.932  1.6773 -10.88782      2.430679 
1 1 1 6  10 8  o 762.066 4.4408 5810.49  47.858  764.960 6.3018 759.171 6.2586 5.789307       8.881633 
1 1 1 6  10 10 o 719.157 4.2375 5173.76  43.094  721.278 6.0271 717.037 5.9581 4.241516       8.474996 
1 1 1 6  10 12 o 327.214 2.1707 1070.03  10.033  331.474 3.1350 322.954 3.0032 8.519348       4.341400 
1 1 1 6  10 14 o 156.322 1.2806 244.496  2.8289  159.775 1.7705 152.869 1.8505 6.906219       2.561105 
1 1 1 6  10 16 o 363.594 2.8090 1317.52  13.525  360.431 3.0914 366.757 4.6909 -6.325806      5.617944 
1 1 1 6  10 18 o 360.891 2.8435 1289.43  13.639  351.795 3.1837 369.988 4.7124 -18.19336      5.687021 
1 1 1 6  10 20 o 122.331 1.6396 148.923  2.7865  119.550 2.0765 125.113 2.5379 -5.562782      3.279187 
1 1 1 6  10 22 o 93.184  2.4392 86.358   2.7069  92.363  2.1877 94.005  4.3604 -1.642090      4.878410 
1 1 1 6  10 24 o 21.233  5.0640 3.8304   1.8976  23.616  6.4291 18.851  7.8258 4.765177       10.12797 
1 1 1 6  10 26 o 42.094  3.7405 17.317   2.1144  39.303  4.4067 44.884  6.0454 -5.580582      7.481015 
1 1 1 6  10 28 o 53.592  3.3493 28.242   2.4562  50.118  4.1469 57.066  5.2607 -6.948376      6.698632 
1 1 1 6  10 30 o 21.346  5.6220 2.0660   2.2584  14.131  6.2809 28.560  9.3262 -14.42891      11.24399 
1 1 1 6  10 32 o 143.826 2.1373 206.581  4.0967  142.807 2.3852 144.844 3.5474 -2.037476      4.274686 
1 1 1 6  10 34 o 124.666 2.0546 158.508  2.8113  127.509 1.5847 121.822 3.7912 5.686722       4.109109 
1 1 1 6  10 36 o 57.947  3.4483 35.558   1.9371  61.218  2.1690 54.676  6.5465 6.542183       6.896518 
1 1 1 6  10 38 o 63.808  3.2849 40.847   2.1717  63.583  2.3607 64.032  6.1310 -0.4488907     6.569767 
1 1 1 6  10 40 o 56.570  3.4853 34.187   2.1388  60.560  2.5739 52.581  6.4780 7.978668       6.970643 
1 1 1 6  10 42 o 94.661  4.1782 83.146   3.0918  87.726  2.1717 101.596 8.0692 -13.87046      8.356299 
1 1 1 6  10 44 o 15.871  5.1988 -2.8243  2.3326  11.681  5.5703 20.061  8.7796 -8.379591      10.39760 
1 1 1 6  10 46 o 27.214  5.5998 8.5559   2.4132  31.447  6.2805 22.980  9.2729 8.467756       11.19964 
1 1 1 6  10 48 o 37.996  6.0521 19.663   2.8977  46.116  4.6320 29.875  11.183 16.24110       12.10413 
1 1 1 6  10 50 o 17.758  5.9767 -1.6527  3.6475  14.240  6.8747 21.277  9.7787 -7.036564      11.95347 
1 1 1 6  11 1  o 297.254 2.0589 880.833  8.6214  306.981 3.0090 287.527 2.8110 19.45428       4.117801 
1 1 1 6  11 3  f 414.168 2.7244 1709.20  15.866  426.914 4.0299 401.421 3.6674 25.49234       5.448852 
1 1 1 6  11 5  o 354.433 2.3787 1256.11  11.918  362.348 3.3459 346.518 3.3821 15.83057       4.757495 
1 1 1 6  11 7  o 353.727 2.2906 1250.41  11.448  348.171 3.1837 359.283 3.2941 -11.11176      4.581138 
1 1 1 6  11 9  o 127.828 1.1815 163.311  2.1345  125.954 1.6501 129.702 1.6914 -3.748390      2.363002 
1 1 1 6  11 11 o 519.641 3.1146 2699.24  22.872  512.262 4.3390 527.020 4.4694 -14.75793      6.229165 
1 1 1 6  11 13 o 257.913 1.7727 665.054  6.4640  261.282 2.5189 254.545 2.4949 6.736908       3.545324 
1 1 1 6  11 15 o 634.475 4.4046 4002.13  36.051  626.202 4.5913 642.747 7.5180 -16.54504      8.809117 
1 1 1 6  11 17 o 99.901  1.9330 99.833   2.5038  99.934  2.0220 99.868  3.2951 0.6590271E-01  3.866016 
1 1 1 6  11 19 o 105.624 1.8299 110.308  2.6139  102.158 2.1475 109.089 2.9636 -6.931694      3.659893 
1 1 1 6  11 21 o 485.916 4.9489 2370.34  28.219  487.461 4.2992 484.370 8.9154 3.090698       9.897881 
1 1 1 6  11 23 o 208.865 2.2217 430.420  6.1868  201.622 2.5198 216.108 3.6599 -14.48679      4.443436 
1 1 1 6  11 25 o 108.649 1.9893 118.247  2.7225  108.879 1.9619 108.419 3.4612 0.4600296      3.978573 
1 1 1 6  11 27 o 104.355 2.1611 106.725  3.0241  98.625  2.5171 110.085 3.5137 -11.46059      4.322250 
1 1 1 6  11 29 o 205.783 2.6183 423.969  7.6137  202.876 3.6425 208.689 3.7623 -5.812424      5.236684 
1 1 1 6  11 31 o 56.274  4.7790 32.567   3.1936  58.183  4.1675 54.365  8.6017 3.817940       9.558092 
1 1 1 6  11 33 o 76.943  2.9700 58.942   2.9237  75.748  3.0487 78.139  5.0980 -2.391518      5.940023 
1 1 1 6  11 35 o 74.222  3.1902 55.879   3.0588  75.637  3.2821 72.806  5.4714 2.830978       6.380301 
1 1 1 6  11 37 o 85.833  2.4605 73.336   2.8074  83.935  2.7513 87.730  4.0800 -3.794662      4.920975 
1 1 1 6  11 39 o 21.794  5.7253 2.1169   1.7595  11.668  5.1306 31.921  10.237 -20.25340      11.45057 
1 1 1 6  11 41 o 22.393  5.3366 4.1594   1.9536  24.235  5.5892 20.550  9.0927 3.685736       10.67312 
1 1 1 6  11 43 o 24.263  4.8895 5.2289   2.0936  30.213  4.7771 18.312  8.5328 11.90121       9.779057 
1 1 1 6  11 45 o 40.778  5.2569 18.017   2.3926  40.678  4.2578 40.877  9.6132 -0.1998329     10.51389 
1 1 1 6  11 47 o 16.572  5.4144 -1.6122  2.6352  15.265  6.6521 17.878  8.5446 -2.612754      10.82876 
1 1 1 6  11 49 o 24.103  7.6011 6.1602   5.1769  20.467  9.4818 27.739  11.883 -7.271702      15.20225 
1 1 1 6  12 0  o 55.195  2.0985 30.598   2.3093  55.195  2.0985 ?       ?      0.000000       0.000000 
1 1 1 6  12 2  o 521.245 3.2661 2717.65  24.071  521.586 4.6709 520.903 4.5662 0.6833496      6.532101 
1 1 1 6  12 4  o 910.440 5.3004 8294.28  68.225  909.785 7.3927 911.093 7.5976 -1.308044      10.60075 
1 1 1 6  12 6  o 63.509  1.6319 39.346   1.4263  69.553  2.4901 57.464  2.1098 12.08899       3.263747 
1 1 1 6  12 8  o 255.810 1.7953 654.367  6.4937  257.074 2.5602 254.546 2.5175 2.527176       3.590591 
1 1 1 6  12 10 o 387.306 2.4718 1499.32  13.520  383.253 3.4044 391.358 3.5847 -8.104370      4.943677 
1 1 1 6  12 12 o 129.878 1.9558 168.694  5.0804  129.878 1.9558 ?       ?      ?              ?        
1 1 1 6  12 14 o 254.376 1.7570 646.406  6.3110  258.902 2.5421 249.849 2.4262 9.053040       3.514071 
1 1 1 6  12 16 o 405.624 2.6603 1642.59  15.145  400.070 3.5066 411.178 4.0016 -11.10818      5.320644 
1 1 1 6  12 18 o 187.157 1.8688 354.357  4.5908  192.056 1.9840 182.258 3.1676 9.797440       3.737629 
1 1 1 6  12 20 o 28.843  4.7609 8.9601   1.9398  34.302  4.7126 23.384  8.2737 10.91793       9.521717 
1 1 1 6  12 22 o 270.292 2.3894 731.285  8.7561  270.567 2.7739 270.017 3.8913 0.5495300      4.778798 
1 1 1 6  12 24 o 178.628 2.0776 315.432  4.7950  174.262 2.1865 182.994 3.5335 -8.731552      4.155274 
1 1 1 6  12 26 o 111.300 2.2627 124.060  3.5315  111.620 2.9482 110.981 3.4333 0.6394577      4.525415 
1 1 1 6  12 28 o 69.305  2.9049 47.068   2.7735  63.333  3.7374 75.278  4.4482 -11.94434      5.809856 
1 1 1 6  12 30 o 81.005  2.8669 65.025   3.2411  75.899  3.8033 86.112  4.2908 -10.21309      5.733722 
1 1 1 6  12 32 o 127.368 2.1290 161.256  3.7045  124.166 2.5573 130.570 3.4046 -6.404655      4.258045 
1 1 1 6  12 34 o 188.670 2.3342 354.334  5.8979  184.963 2.6531 192.378 3.8413 -7.414474      4.668427 
1 1 1 6  12 36 o 65.808  3.4054 42.894   3.0903  61.336  4.3298 70.280  5.2573 -8.944729      6.810751 
1 1 1 6  12 38 o 57.014  4.0532 32.520   3.1492  54.013  4.9167 60.015  6.4452 -6.001316      8.106443 
1 1 1 6  12 40 o 62.414  3.7909 39.505   3.3325  59.994  5.1964 64.833  5.5209 -4.839527      7.581802 
1 1 1 6  12 42 o 29.256  6.7482 9.1716   3.1290  27.060  8.7820 31.452  10.248 -4.391859      13.49641 
1 1 1 6  12 44 o 20.800  6.4519 -0.2309  3.7056  21.777  9.2128 19.823  9.0351 1.953520       12.90381 
1 1 1 6  12 46 o 23.640  6.0865 5.8272   2.4927  24.357  6.8344 22.923  10.073 1.434607       12.17303 
1 1 1 6  12 48 o 24.239  7.1343 7.2564   4.0787  23.339  10.132 25.139  10.047 -1.799282      14.26862 
1 1 1 6  13 1  o 176.706 1.6617 313.690  4.1228  169.452 2.5212 183.959 2.1654 -14.50688      3.323475 
1 1 1 6  13 3  o 557.050 3.3597 3102.11  26.454  547.886 4.7102 566.213 4.7922 -18.32678      6.719451 
1 1 1 6  13 5  o 740.724 4.3288 5486.90  45.329  752.143 6.1559 729.304 6.0875 22.83838       8.657515 
1 1 1 6  13 7  o 1042.26 6.0279 10873.30 88.850  1041.90 8.5221 1042.62 8.5273 -0.7187500     12.05579 
1 1 1 6  13 9  o 259.242 1.8348 672.162  6.7257  255.969 2.6163 262.516 2.5731 -6.547089      3.669567 
1 1 1 6  13 11 o 419.116 2.5762 1756.57  15.266  422.716 3.6739 415.515 3.6125 7.201202       5.152399 
1 1 1 6  13 13 o 62.189  1.4747 38.321   1.2829  58.755  1.9652 65.623  2.1994 -6.868389      2.949466 
1 1 1 6  13 15 o 69.328  2.4159 46.521   2.2262  63.837  2.8036 74.819  3.9353 -10.98245      4.831823 
1 1 1 6  13 17 o 169.695 1.4312 289.591  3.3905  175.242 1.8119 164.147 2.2158 11.09453       2.862305 
1 1 1 6  13 19 o 177.185 2.1260 318.518  4.2661  180.531 1.7269 173.839 3.8856 6.691895       4.252056 
1 1 1 6  13 21 o 278.637 2.6373 766.870  9.4363  271.526 2.7428 285.749 4.5055 -14.22250      5.274682 
1 1 1 6  13 23 o 90.474  2.2754 82.331   2.8681  92.905  2.8585 88.044  3.5409 4.860947       4.550709 
1 1 1 6  13 25 o 106.065 2.2160 111.989  3.2772  103.137 2.8548 108.993 3.3900 -5.855385      4.431932 
1 1 1 6  13 27 o 295.835 2.6898 868.900  10.554  289.547 2.9908 302.122 4.4715 -12.57498      5.379518 
1 1 1 6  13 29 o 17.422  5.4819 -2.1248  2.5038  13.226  6.1825 21.618  9.0543 -8.392130      10.96375 
1 1 1 6  13 31 o 89.673  2.2118 79.932   2.7497  86.702  2.7967 92.645  3.4274 -5.943108      4.423595 
1 1 1 6  13 33 o 110.244 2.5633 122.263  3.8035  111.020 2.9121 109.468 4.2191 1.552177       5.126533 
1 1 1 6  13 35 o 48.528  5.0802 25.925   2.8757  54.637  4.2266 42.419  9.2395 12.21854       10.16036 
1 1 1 6  13 37 o 22.799  6.3590 2.7275   3.1103  24.230  8.6501 21.367  9.3232 2.863815       12.71798 
1 1 1 6  13 39 o 50.495  5.1369 27.107   3.3281  53.242  5.3133 47.749  8.7932 5.493305       10.27382 
1 1 1 6  13 41 o 45.129  5.7570 23.143   3.2685  51.851  5.3444 38.406  10.198 13.44529       11.51396 
1 1 1 6  13 43 o 20.732  6.5264 -0.6919  3.5961  17.916  8.0068 23.549  10.309 -5.632923      13.05284 
1 1 1 6  13 45 o 19.797  6.2135 -0.0539  3.4485  18.706  8.3743 20.888  9.1815 -2.181396      12.42693 
1 1 1 6  13 47 o 21.205  6.6409 2.6734   3.9528  21.592  9.4433 20.817  9.3398 0.7757549      13.28182 
1 1 1 6  13 49 o 37.642  8.9770 26.069   5.3677  47.056  14.378 28.228  10.753 18.82830       17.95403 
1 1 1 6  14 0  o 748.442 6.4806 5604.42  96.990  748.442 6.4806 ?       ?      0.000000       0.000000 
1 1 1 6  14 2  o 392.845 2.4784 1543.51  13.769  394.006 3.5020 391.684 3.5080 2.321655       4.956811 
1 1 1 6  14 4  o 188.850 1.5461 356.716  4.1260  188.269 2.2385 189.431 2.1334 -1.162170      3.092289 
1 1 1 6  14 6  o 560.566 3.4418 3143.94  27.276  564.440 4.7868 556.692 4.9468 7.748352       6.883621 
1 1 1 6  14 8  o 144.639 1.3752 209.855  2.7926  148.112 1.7930 141.166 2.0857 6.945999       2.750493 
1 1 1 6  14 10 o 360.398 2.4128 1299.04  12.296  356.250 3.4194 364.546 3.4049 -8.296387      4.825503 
1 1 1 6  14 12 o 508.259 3.0080 2584.27  21.620  512.483 4.2470 504.035 4.2609 8.448151       6.015991 
1 1 1 6  14 14 o 339.096 2.1854 1149.82  10.469  337.269 3.0127 340.924 3.1667 -3.655029      4.370829 
1 1 1 6  14 16 f 661.821 4.6086 4384.17  39.567  661.063 4.8295 662.580 7.8506 -1.516724      9.217190 
1 1 1 6  14 18 o 311.393 2.1367 965.834  9.0727  307.094 2.5379 315.691 3.4381 -8.597534      4.273338 
1 1 1 6  14 20 o 227.721 2.2090 514.425  6.4352  223.977 2.2683 231.464 3.7912 -7.487869      4.417968 
1 1 1 6  14 22 o 124.893 1.8802 156.850  3.2654  128.020 2.3450 121.767 2.9395 6.252159       3.760320 
1 1 1 6  14 24 o 42.888  4.5263 18.649   2.3664  42.808  4.3156 42.968  7.9577 -0.1593170     9.052602 
1 1 1 6  14 26 o 109.217 2.2468 118.390  3.3068  106.600 2.5996 111.834 3.6653 -5.233513      4.493537 
1 1 1 6  14 28 o 59.810  3.3951 36.253   2.6256  61.109  3.4956 58.512  5.8214 2.596951       6.790257 
1 1 1 6  14 30 o 67.915  3.0787 45.103   2.7813  63.678  3.5358 72.152  5.0409 -8.474003      6.157342 
1 1 1 6  14 32 f 91.526  2.9946 82.467   3.4463  88.307  3.0073 94.745  5.1794 -6.437897      5.989202 
1 1 1 6  14 34 o 90.451  2.8633 82.474   3.5249  91.472  3.3451 89.431  4.6480 2.041580       5.726549 
1 1 1 6  14 36 o 111.907 2.6068 125.803  4.0331  111.196 3.2190 112.618 4.1011 -1.422508      5.213542 
1 1 1 6  14 38 o 22.186  6.2515 1.6154   3.0652  16.713  7.5678 27.659  9.9524 -10.94600      12.50290 
1 1 1 6  14 40 o 43.009  6.5268 19.593   3.6475  38.633  7.8941 47.384  10.396 -8.750710      13.05355 
1 1 1 6  14 42 o 30.996  6.5120 10.570   3.4753  38.083  8.4112 23.909  9.9437 14.17326       13.02405 
1 1 1 6  14 44 o 20.493  6.5124 -1.1162  3.8026  17.051  7.9391 23.935  10.326 -6.884584      13.02484 
1 1 1 6  14 46 o 22.964  6.8339 2.5510   3.9208  16.350  7.7481 29.579  11.260 -13.22858      13.66788 
1 1 1 6  14 48 o 32.574  7.3170 17.383   3.7788  32.980  9.7977 32.167  10.870 0.8128281      14.63402 
1 1 1 6  15 1  o 506.475 3.1960 2565.65  22.885  504.540 4.4626 508.411 4.5762 -3.870667      6.391930 
1 1 1 6  15 3  o 815.502 4.7752 6650.42  55.022  826.837 6.8706 804.168 6.6335 22.66870       9.550321 
1 1 1 6  15 5  o 209.981 1.5864 441.088  4.6965  210.696 2.1373 209.265 2.3450 1.431152       3.172830 
1 1 1 6  15 7  o 456.741 2.8020 2086.71  18.099  457.290 3.9768 456.191 3.9484 1.098450       5.604059 
1 1 1 6  15 9  o 559.729 3.3951 3134.44  26.873  564.033 4.8005 555.425 4.8021 8.608032       6.790105 
1 1 1 6  15 11 o 386.481 2.5190 1493.53  13.762  391.049 3.6023 381.912 3.5222 9.136536       5.038070 
1 1 1 6  15 13 o 686.028 4.3685 4705.70  42.071  692.898 6.5740 679.157 5.7549 13.74066       8.737023 
1 1 1 6  15 15 o 419.099 2.8393 1761.90  16.218  422.478 3.3343 415.719 4.5967 6.759277       5.678666 
1 1 1 6  15 17 o 324.816 2.3775 1055.40  10.887  324.051 3.2068 325.581 3.5110 -1.529510      4.755065 
1 1 1 6  15 19 o 274.492 2.0708 753.569  7.9911  273.660 2.7425 275.324 3.1034 -1.663666      4.141557 
1 1 1 6  15 21 o 169.917 1.9472 291.240  4.1299  172.373 1.8756 167.462 3.4130 4.910248       3.894410 
1 1 1 6  15 23 o 273.182 2.7328 739.538  9.4976  267.866 2.7803 278.497 4.7057 -10.63040      5.465679 
1 1 1 6  15 25 o 161.819 2.1302 262.616  4.7292  162.861 2.5523 160.777 3.4113 2.083389       4.260424 
1 1 1 6  15 27 o 92.863  2.5193 85.996   3.2259  91.239  3.1005 94.486  3.9716 -3.246330      5.038524 
1 1 1 6  15 29 o 76.842  3.6854 57.472   3.2747  73.597  3.2162 80.086  6.6320 -6.489754      7.370758 
1 1 1 6  15 31 o 160.917 2.7520 259.519  6.2479  164.347 4.0046 157.487 3.7758 6.859970       5.503978 
1 1 1 6  15 33 o 120.974 2.4505 144.795  3.9763  116.595 2.8224 125.353 4.0069 -8.757362      4.901088 
1 1 1 6  15 35 o 49.409  4.9256 26.045   3.0903  53.869  4.9299 44.950  8.5288 8.918678       9.851119 
1 1 1 6  15 37 o 32.146  6.1412 11.188   2.8505  31.832  8.4006 32.459  8.9603 -0.6264248     12.28243 
1 1 1 6  15 39 o 56.201  3.9224 32.330   3.1175  56.304  5.5370 56.099  5.5572 0.2054482      7.844806 
1 1 1 6  15 41 o 50.868  5.2646 28.317   3.5645  56.220  5.9560 45.516  8.6828 10.70393       10.52925 
1 1 1 6  15 43 o 38.623  6.6936 17.756   3.5922  36.417  8.9333 40.828  9.9706 -4.411163      13.38718 
1 1 1 6  15 45 o 23.019  7.0869 0.2209   4.8827  25.388  9.8491 20.649  10.193 4.738804       14.17379 
1 1 1 6  15 47 o 21.883  6.6822 4.5322   3.7442  21.293  9.0767 22.473  9.8092 -1.180651      13.36440 
1 1 1 6  16 0  o 607.778 5.1397 3695.68  62.466  607.778 5.1397 ?       ?      0.000000       0.000000 
1 1 1 6  16 2  o 384.656 2.5788 1479.60  14.025  379.509 3.6358 389.802 3.6582 -10.29272      5.157652 
1 1 1 6  16 4  o 560.630 3.4516 3144.79  27.365  563.035 4.8500 558.225 4.9125 4.810242       6.903297 
1 1 1 6  16 6  o 237.094 1.7202 558.294  5.7155  247.756 2.5632 226.432 2.2947 21.32393       3.440310 
1 1 1 6  16 8  o 650.729 3.8832 4235.00  35.699  643.310 5.3756 658.149 5.6053 -14.83875      7.766325 
1 1 1 6  16 10 o 720.569 4.1812 5197.62  42.604  720.876 5.8623 720.263 5.9635 0.6130371      8.362417 
1 1 1 6  16 12 o 275.908 2.1100 761.248  8.2219  287.058 2.9363 264.758 3.0310 22.30081       4.220051 
1 1 1 6  16 14 o 471.697 3.2429 2226.16  21.495  470.440 4.2829 472.955 4.8705 -2.514801      6.485757 
1 1 1 6  16 16 o 219.324 1.8517 479.997  5.6315  216.964 2.3150 221.684 2.8907 -4.719604      3.703446 
1 1 1 6  16 18 o 359.212 2.4652 1282.73  11.942  352.563 2.8493 365.861 4.0239 -13.29788      4.930492 
1 1 1 6  16 20 o 135.444 1.5363 184.798  2.9083  141.883 1.9531 129.005 2.3718 12.87762       3.072517 
1 1 1 6  16 22 o 359.778 2.5049 1292.59  12.373  356.411 3.0291 363.145 3.9904 -6.733429      5.009822 
1 1 1 6  16 24 o 54.764  3.6279 29.432   2.6688  51.587  4.2527 57.940  5.8788 -6.353149      7.255760 
1 1 1 6  16 26 o 169.209 2.0888 287.239  4.8306  170.332 2.4743 168.086 3.3660 2.246170       4.177551 
1 1 1 6  16 28 o 78.791  3.2576 60.705   2.9549  76.078  2.8078 81.505  5.8792 -5.426399      6.515208 
1 1 1 6  16 30 o 221.750 2.4209 495.512  7.4053  225.991 2.9378 217.509 3.8487 8.482224       4.841802 
1 1 1 6  16 32 o 120.266 2.3441 145.071  3.8035  120.305 2.6873 120.227 3.8416 0.7793427E-01  4.688218 
1 1 1 6  16 34 o 36.427  6.0793 14.025   3.0280  34.370  7.8893 38.483  9.2516 -4.113239      12.15864 
1 1 1 6  16 36 o 145.772 2.5913 215.202  4.8689  147.407 2.6632 144.137 4.4460 3.270050       5.182627 
1 1 1 6  16 38 o 56.496  4.7149 31.822   3.5961  51.166  5.7545 61.826  7.4703 -10.65934      9.429725 
1 1 1 6  16 40 o 35.878  7.0804 12.807   3.6488  24.216  8.8995 47.540  11.015 -23.32371      14.16087 
1 1 1 6  16 42 o 33.549  7.3407 13.630   3.9763  37.250  8.9355 29.848  11.649 7.401672       14.68139 
1 1 1 6  16 44 o 35.243  7.4963 17.251   3.9819  35.676  9.4109 34.810  11.671 0.8659821      14.99254 
1 1 1 6  16 46 o 33.439  6.8901 15.532   4.2073  21.565  9.5299 45.313  9.9535 -23.74722      13.78014 
1 1 1 6  17 1  o 479.025 2.9574 2295.73  20.033  481.315 4.1502 476.734 4.2143 4.580933       5.914715 
1 1 1 6  17 3  o 364.321 2.4204 1327.42  12.468  358.998 3.4254 369.644 3.4204 -10.64600      4.840699 
1 1 1 6  17 5  o 266.586 1.8517 707.425  6.9379  256.703 2.4964 276.468 2.7356 -19.76434      3.703400 
1 1 1 6  17 7  o 380.046 2.6558 1447.33  14.194  385.386 3.5054 374.705 3.9905 10.68100       5.311504 
1 1 1 6  17 9  o 342.257 2.2132 1171.95  10.706  343.036 3.0630 341.479 3.1953 1.556732       4.426321 
1 1 1 6  17 11 o 378.368 2.8170 1432.91  15.067  382.322 3.9110 374.414 4.0553 7.907379       5.633952 
1 1 1 6  17 13 o 398.743 2.5694 1589.70  14.476  405.403 3.6883 392.084 3.5780 13.31900       5.138709 
1 1 1 6  17 15 o 168.075 1.6270 287.082  3.7442  178.401 1.9093 157.748 2.6350 20.65337       3.254051 
1 1 1 6  17 17 o 93.656  1.5742 87.145   2.0383  91.102  1.9645 96.210  2.4603 -5.107368      3.148360 
1 1 1 6  17 19 o 68.827  1.7932 47.344   1.7012  68.538  2.1901 69.116  2.8400 -0.5774078     3.586373 
1 1 1 6  17 21 o 178.291 1.5634 317.140  3.8715  176.003 1.9681 180.579 2.4298 -4.575272      3.126858 
1 1 1 6  17 23 o 65.652  1.4634 43.100   1.3512  65.347  1.9437 65.958  2.1882 -0.6110840     2.926800 
1 1 1 6  17 25 o 146.787 2.5956 211.799  4.7911  141.874 2.6043 151.699 4.4907 -9.824554      5.191271 
1 1 1 6  17 27 o 68.304  3.3444 47.598   2.8147  70.235  3.1235 66.373  5.9148 3.862411       6.688868 
1 1 1 6  17 29 o 37.760  6.0353 15.463   3.0146  42.399  5.7189 33.121  10.630 9.277927       12.07067 
1 1 1 6  17 31 o 105.563 2.6198 109.505  3.5421  101.324 2.7349 109.803 4.4691 -8.479271      5.239569 
1 1 1 6  17 33 o 58.415  4.0221 34.463   3.2087  57.893  4.7867 58.937  6.4651 -1.044315      8.044248 
1 1 1 6  17 35 o 23.697  6.6092 0.8420   3.3795  15.385  7.2049 32.009  11.082 -16.62403      13.21837 
1 1 1 6  17 37 o 41.214  5.7952 16.554   3.2176  26.993  8.4672 55.435  7.9149 -28.44281      11.59046 
1 1 1 6  17 39 o 69.617  3.9374 49.402   3.7638  66.629  4.8522 72.605  6.2023 -5.975449      7.874784 
1 1 1 6  17 41 o 53.820  4.7554 30.138   3.5263  46.819  6.4121 60.821  7.0242 -14.00247      9.510750 
1 1 1 6  17 43 o 19.236  6.3830 -5.8349  4.1403  14.131  6.9592 24.342  10.702 -10.21131      12.76597 
1 1 1 6  17 45 o 29.091  7.6456 12.934   4.1394  28.679  10.062 29.503  11.514 -0.8235798     15.29123 
1 1 1 6  17 47 o 21.483  7.4548 -1.4746  6.4443  17.942  8.7223 25.024  12.092 -7.082005      14.90962 
1 1 1 6  18 0  o 843.323 7.9770 7121.74  134.516 843.323 7.9770 ?       ?      0.000000       0.000000 
1 1 1 6  18 2  o 473.040 3.1547 2234.99  21.021  464.432 4.2637 481.647 4.6507 -17.21555      6.309422 
1 1 1 6  18 4  o 142.536 1.3891 203.175  2.7997  143.994 1.9646 141.079 1.9643 2.915833       2.778109 
1 1 1 6  18 6  o 364.770 2.5025 1332.56  12.831  361.815 3.7657 367.724 3.2970 -5.908386      5.005042 
1 1 1 6  18 8  o 130.990 1.6132 172.222  2.9662  127.308 2.4488 134.671 2.1006 -7.362984      3.226327 
1 1 1 6  18 10 o 197.274 1.6465 388.952  4.5750  195.770 2.2117 198.778 2.4397 -3.008774      3.292985 
1 1 1 6  18 12 o 268.388 1.9474 720.699  7.3879  269.400 2.7002 267.375 2.8070 2.025299       3.894886 
1 1 1 6  18 14 o 239.658 1.9634 576.011  6.5548  242.595 2.4750 236.720 3.0486 5.875061       3.926722 
1 1 1 6  18 16 o 92.112  1.6954 85.286   2.1878  95.248  2.1820 88.977  2.5954 6.271767       3.390782 
1 1 1 6  18 18 o 90.861  1.7577 83.502   2.2043  95.186  2.1228 86.536  2.8020 8.649963       3.515346 
1 1 1 6  18 20 o 127.384 1.5057 163.241  2.6594  130.563 1.8571 124.205 2.3706 6.358704       3.011407 
1 1 1 6  18 22 o 164.426 1.7705 267.891  3.8980  160.205 2.0180 168.648 2.9098 -8.442596      3.541078 
1 1 1 6  18 24 o 131.635 1.5238 172.531  2.7865  128.686 1.9291 134.584 2.3593 -5.898636      3.047601 
1 1 1 6  18 26 o 158.598 2.2440 248.525  3.4493  156.461 1.4760 160.735 4.2383 -4.273514      4.487934 
1 1 1 6  18 28 o 153.768 2.3949 238.361  4.7015  155.414 2.4146 152.121 4.1367 3.292877       4.789850 
1 1 1 6  18 30 f 86.611  3.1373 73.167   3.3609  82.358  3.0844 90.864  5.4642 -8.506042      6.274578 
1 1 1 6  18 32 o 71.561  4.7111 52.135   4.7543  71.466  6.9473 71.656  6.3649 -0.1898575     9.422190 
1 1 1 6  18 34 o 20.280  6.2674 -2.9828  3.2753  13.620  6.5637 26.940  10.679 -13.32049      12.53482 
1 1 1 6  18 36 o 49.981  6.2549 28.060   3.6005  55.399  5.0022 44.562  11.466 10.83716       12.50975 
1 1 1 6  18 38 o 36.631  6.8569 14.842   3.5263  31.774  9.0245 41.488  10.326 -9.713739      13.71374 
1 1 1 6  18 40 o 48.934  5.9886 26.280   3.9415  46.809  7.2768 51.059  9.5132 -4.250038      11.97719 
1 1 1 6  18 42 o 61.485  5.1186 40.929   4.3176  55.014  6.6113 67.955  7.8160 -12.94102      10.23715 
1 1 1 6  18 44 o 21.395  6.8416 1.8655   4.3741  20.582  9.2524 22.208  10.081 -1.625582      13.68328 
1 1 1 6  18 46 o 23.543  7.8711 7.4024   5.1721  18.334  8.4633 28.753  13.274 -10.41885      15.74213 
1 1 1 6  19 1  o 191.984 1.7367 368.895  4.6908  193.009 2.3032 190.959 2.6000 2.049988       3.473450 
1 1 1 6  19 3  o 92.776  1.6970 86.009   2.2193  98.531  2.3437 87.021  2.4547 11.51042       3.393901 
1 1 1 6  19 5  f 121.735 1.4921 147.756  2.5610  128.349 2.1141 115.121 2.1063 13.22878       2.984251 
1 1 1 6  19 7  o 331.483 2.2439 1100.08  10.499  328.013 3.2913 334.953 3.0508 -6.940399      4.487752 
1 1 1 6  19 9  o 562.521 3.4145 3167.18  27.147  558.279 4.7466 566.764 4.9098 -8.484863      6.829063 
1 1 1 6  19 11 o 412.220 2.7610 1701.64  16.060  414.838 3.7436 409.602 4.0593 5.236115       5.521999 
1 1 1 6  19 13 o 203.183 1.6980 413.046  4.8782  201.961 2.4298 204.405 2.3725 -2.444595      3.395983 
1 1 1 6  19 15 o 301.052 2.4348 897.001  9.5258  293.999 2.5921 308.106 4.1223 -14.10709      4.869537 
1 1 1 6  19 17 o 282.081 2.2888 794.823  8.6320  280.591 2.5719 283.572 3.7868 -2.981781      4.577586 
1 1 1 6  19 19 o 287.858 2.1838 827.432  8.4984  285.675 2.5261 290.041 3.5630 -4.366058      4.367618 
1 1 1 6  19 21 o 148.777 1.6162 221.215  3.3218  147.995 1.9895 149.558 2.5477 -1.562485      3.232491 
1 1 1 6  19 23 o 154.852 1.6346 241.388  3.5390  160.806 2.0823 148.898 2.5202 11.90723       3.269194 
1 1 1 6  19 25 o 28.706  3.6002 8.4525   1.3997  29.376  4.3236 28.035  5.7578 1.341042       7.200439 
1 1 1 6  19 27 o 142.781 2.2011 199.985  3.0309  139.777 1.4456 145.785 4.1581 -6.008652      4.402225 
1 1 1 6  19 29 o 184.723 2.3563 343.254  5.8230  186.216 2.6352 183.229 3.9070 2.986298       4.712678 
1 1 1 6  19 31 o 68.494  4.0496 45.388   3.6193  61.838  4.5747 75.150  6.6836 -13.31148      8.099279 
1 1 1 6  19 33 o 21.772  6.3376 0.0327   3.0470  14.526  6.7834 29.018  10.707 -14.49251      12.67520 
1 1 1 6  19 35 o 27.213  7.0267 6.6468   3.4876  25.494  9.4205 28.932  10.428 -3.438179      14.05342 
1 1 1 6  19 37 o 84.545  3.5919 72.170   3.7686  82.638  3.4931 86.452  6.2773 -3.813690      7.183724 
1 1 1 6  19 39 o 52.003  5.0995 28.981   3.6218  52.888  6.0037 51.118  8.2446 1.770416       10.19894 
1 1 1 6  19 41 o 28.187  7.6660 8.8701   4.2194  27.566  10.022 28.808  11.603 -1.242174      15.33195 
1 1 1 6  19 43 o 23.039  7.1064 4.2187   4.1381  20.187  8.8816 25.892  11.096 -5.704639      14.21286 
1 1 1 6  19 45 o 19.525  6.5618 -0.3605  4.6930  18.644  8.5195 20.406  9.9824 -1.762590      13.12362 
1 1 1 6  20 0  o 69.245  3.1826 48.264   4.3877  69.245  3.1826 ?       ?      0.000000       0.000000 
1 1 1 6  20 2  o 198.055 1.6076 392.106  4.5002  202.718 2.2783 193.393 2.2688 9.325195       3.215299 
1 1 1 6  20 4  o 213.783 1.8485 456.387  5.5172  215.801 2.8358 211.766 2.3718 4.035660       3.696909 
1 1 1 6  20 6  o 213.957 1.8598 456.980  5.6110  208.822 2.5435 219.092 2.7141 -10.27104      3.719652 
1 1 1 6  20 8  o 508.376 3.1922 2587.88  22.948  503.206 4.5433 513.546 4.4855 -10.34055      6.384441 
1 1 1 6  20 10 o 512.265 3.2715 2627.91  23.693  510.807 4.5661 513.724 4.6863 -2.916962      6.542938 
1 1 1 6  20 12 o 446.908 2.8781 2000.25  18.186  452.714 4.0170 441.101 4.1228 11.61340       5.756208 
1 1 1 6  20 14 o 259.848 1.9933 678.507  7.1487  264.256 2.4250 255.439 3.1642 8.817230       3.986567 
1 1 1 6  20 16 o 156.519 1.5886 246.363  3.4868  162.923 2.0553 150.116 2.4229 12.80669       3.177176 
1 1 1 6  20 18 o 224.058 1.8098 503.782  5.6220  226.757 2.2405 221.359 2.8428 5.398102       3.619580 
1 1 1 6  20 20 o 118.307 1.7164 138.645  2.6863  115.451 1.9002 121.162 2.8589 -5.711975      3.432826 
1 1 1 6  20 22 o 299.013 2.3612 896.247  9.8330  299.963 2.9832 298.061 3.6608 1.901917       4.722378 
1 1 1 6  20 24 o 174.005 1.7073 304.841  4.1174  178.503 2.1023 169.507 2.6907 8.996490       3.414550 
1 1 1 6  20 26 o 74.644  1.7018 55.537   1.7599  73.150  2.1309 76.137  2.6539 -2.986458      3.403558 
1 1 1 6  20 28 o 152.113 2.1617 225.627  3.2611  147.836 1.4840 156.391 4.0607 -8.554565      4.323353 
1 1 1 6  20 30 o 96.101  2.7783 92.743   3.6054  95.607  3.2004 96.595  4.5423 -0.9883652     5.556553 
1 1 1 6  20 32 o 32.151  6.7935 10.619   3.6306  37.816  8.0286 26.485  10.961 11.33081       13.58699 
1 1 1 6  20 34 o 54.168  4.6496 30.119   3.4450  54.273  5.5314 54.062  7.4752 0.2105865      9.299209 
1 1 1 6  20 36 o 38.353  5.9919 16.326   3.2165  42.719  7.0275 33.987  9.7070 8.731400       11.98378 
1 1 1 6  20 38 o 34.004  7.0782 13.440   3.6003  34.588  9.0690 33.421  10.870 1.167786       14.15642 
1 1 1 6  20 40 o 25.405  6.8481 5.2692   3.5455  18.552  8.2331 32.259  10.945 -13.70734      13.69615 
1 1 1 6  20 42 o 25.381  6.9732 7.8765   3.6062  24.441  9.8411 26.321  9.8820 -1.879427      13.94640 
1 1 1 6  20 44 o 21.522  6.7056 4.4458   4.0105  19.798  9.0092 23.245  9.9345 -3.446972      13.41122 
1 1 1 6  21 1  o 419.155 2.7029 1758.48  16.019  425.067 3.8029 413.242 3.8419 11.82425       5.405795 
1 1 1 6  21 3  o 440.658 2.8025 1943.59  17.462  447.092 3.9513 434.224 3.9754 12.86795       5.605037 
1 1 1 6  21 5  o 111.955 1.5307 124.933  2.4124  115.562 2.2481 108.348 2.0781 7.214226       3.061444 
1 1 1 6  21 7  o 251.614 1.8905 633.394  6.7227  251.204 2.6200 252.025 2.7260 -0.8202362     3.780904 
1 1 1 6  21 9  o 121.567 1.6475 147.656  2.8242  128.783 2.2863 114.351 2.3729 14.43257       3.295095 
1 1 1 6  21 11 o 181.011 1.6464 327.804  4.2145  181.234 2.3254 180.787 2.3312 0.4465027      3.292712 
1 1 1 6  21 13 o 192.651 1.8386 372.258  4.9897  197.840 2.4512 187.463 2.7409 10.37666       3.677103 
1 1 1 6  21 15 o 275.160 2.0543 761.923  7.8267  281.506 2.5225 268.814 3.2430 12.69247       4.108538 
1 1 1 6  21 17 o 119.183 1.5350 142.051  2.5298  118.901 1.8936 119.464 2.4163 -0.5626984     3.069916 
1 1 1 6  21 19 o 15.460  4.4900 -2.0322  1.9398  18.819  6.7457 12.100  5.9277 6.719112       8.980063 
1 1 1 6  21 21 o 120.632 1.7873 147.747  2.9102  125.772 2.0197 115.493 2.9493 10.27973       3.574557 
1 1 1 6  21 23 o 118.504 1.8846 141.300  3.0652  120.501 2.2518 116.507 3.0227 3.994072       3.769271 
1 1 1 6  21 25 o 65.363  2.2243 42.439   2.0003  63.139  2.7431 67.587  3.5022 -4.447933      4.448592 
1 1 1 6  21 27 o 85.857  1.7164 73.850   1.9808  85.917  1.9487 85.798  2.8261 0.1187134      3.432827 
1 1 1 6  21 29 o 34.769  5.4409 12.991   1.1828  36.411  1.9027 33.127  10.714 3.284431       10.88181 
1 1 1 6  21 31 o 22.439  6.6913 1.0884   3.5087  21.823  8.6775 23.055  10.188 -1.231226      13.38258 
1 1 1 6  21 33 o 61.524  4.5628 39.026   3.8842  60.001  7.2164 63.047  5.5858 -3.045315      9.125642 
1 1 1 6  21 35 o 42.637  5.6584 19.760   3.3133  45.093  7.0416 40.180  8.8592 4.913139       11.31674 
1 1 1 6  21 37 o 34.252  6.8630 13.219   3.4827  28.338  9.3262 40.166  10.071 -11.82734      13.72602 
1 1 1 6  21 39 o 19.672  6.1523 -0.6585  3.3710  16.412  7.6472 22.932  9.6397 -6.519592      12.30458 
1 1 1 6  21 41 o 18.307  6.1318 -4.7926  3.9019  14.234  6.9571 22.380  10.099 -8.146271      12.26367 
1 1 1 6  21 43 o 18.693  6.1224 -0.6170  3.7019  16.159  7.6155 21.227  9.5884 -5.067575      12.24471 
1 1 1 6  22 0  o 13.712  8.7179 0.8083   5.0804  13.712  8.7179 ?       ?      0.000000       0.000000 
1 1 1 6  22 2  o 65.946  2.4151 43.491   2.1593  65.781  2.8085 66.111  3.9297 -0.3296661     4.830108 
1 1 1 6  22 4  o 120.113 1.5667 144.331  2.6444  120.117 2.0667 120.110 2.3552 0.6355286E-02  3.133457 
1 1 1 6  22 6  o 316.908 2.2286 1005.03  9.9864  312.557 3.1585 321.259 3.1449 -8.701660      4.457185 
1 1 1 6  22 8  o 209.802 1.8010 440.551  5.3363  210.782 2.4651 208.821 2.6264 1.960510       3.602045 
1 1 1 6  22 10 o 358.956 2.5374 1290.33  12.862  359.036 3.4732 358.876 3.7000 0.1605225      5.074785 
1 1 1 6  22 12 o 155.866 1.7424 243.210  3.8390  157.644 2.4170 154.087 2.5103 3.557709       3.484793 
1 1 1 6  22 14 o 192.859 1.8144 376.444  4.7664  200.138 2.1058 185.579 2.9554 14.55878       3.628844 
1 1 1 6  22 16 o 164.539 1.7704 272.661  4.0241  168.818 2.1545 160.259 2.8099 8.558868       3.540796 
1 1 1 6  22 18 o 194.584 1.8013 380.198  4.8393  197.069 2.1972 192.098 2.8551 4.970581       3.602641 
1 1 1 6  22 20 o 211.290 1.8717 447.574  5.3682  212.139 2.1771 210.441 3.0452 1.698807       3.743401 
1 1 1 6  22 22 o 211.187 1.8863 448.213  5.5709  215.315 2.4132 207.060 2.8997 8.255035       3.772505 
1 1 1 6  22 24 o 185.923 1.9303 348.450  4.9802  191.129 2.3863 180.716 3.0349 10.41278       3.860693 
1 1 1 6  22 26 o 133.811 1.7003 179.365  3.0903  133.827 1.9844 133.794 2.7616 0.3338623E-01  3.400642 
1 1 1 6  22 28 o 23.964  4.5247 6.0743   1.6083  27.114  5.7148 20.815  7.0166 6.298904       9.049431 
1 1 1 6  22 30 o 41.106  5.2651 15.472   1.2008  38.104  1.8181 44.107  10.372 -6.002525      10.53030 
1 1 1 6  22 32 o 46.517  6.3994 24.881   3.4744  53.090  5.0022 39.943  11.781 13.14752       12.79872 
1 1 1 6  22 34 o 56.056  4.6623 32.799   3.5263  56.230  5.3389 55.882  7.6450 0.3474236      9.324693 
1 1 1 6  22 36 o 78.973  3.1397 62.406   3.4072  71.636  4.0296 86.310  4.8160 -14.67455      6.279439 
1 1 1 6  22 38 o 19.780  6.3054 -1.2196  3.6371  17.515  8.0425 22.045  9.7134 -4.530201      12.61081 
1 1 1 6  22 40 f 16.966  5.6394 -5.0161  3.5179  14.366  7.0350 19.566  8.8158 -5.199759      11.27873 
1 1 1 6  22 42 o 22.539  6.9729 4.0405   3.9943  17.419  8.0445 27.659  11.392 -10.23982      13.94570 
1 1 1 6  23 1  o 183.667 1.7335 337.343  4.5002  180.746 2.4275 186.587 2.4753 -5.841034      3.466983 
1 1 1 6  23 3  o 37.639  4.0430 15.180   1.9612  45.548  4.1827 29.730  6.9200 15.81862       8.085914 
1 1 1 6  23 5  o 114.242 1.7348 130.700  2.7997  116.441 2.3799 112.043 2.5248 4.398140       3.469659 
1 1 1 6  23 7  o 146.904 1.7091 215.908  3.5484  145.943 2.3735 147.864 2.4598 -1.920349      3.418180 
1 1 1 6  23 9  o 113.770 1.6324 129.394  2.6240  110.906 2.2904 116.635 2.3264 -5.728912      3.264712 
1 1 1 6  23 11 o 108.111 1.6686 117.345  2.5389  103.918 2.5000 112.305 2.2105 -8.387367      3.337109 
1 1 1 6  23 13 o 146.523 1.6815 215.230  3.3475  147.291 1.9598 145.755 2.7330 1.536407       3.363082 
1 1 1 6  23 15 o 141.274 1.7306 201.290  3.3583  145.355 2.0653 137.194 2.7773 8.161377       3.461105 
1 1 1 6  23 17 o 60.935  2.7067 36.705   2.2950  56.694  3.5641 65.177  4.0746 -8.483387      5.413420 
1 1 1 6  23 19 o 53.114  2.9945 29.102   2.1338  57.701  3.3018 48.527  4.9967 9.174065       5.989048 
1 1 1 6  23 21 o 88.453  2.1598 77.217   2.5725  84.743  2.5207 92.162  3.5080 -7.418434      4.319672 
1 1 1 6  23 23 o 75.294  2.6014 57.258   2.6348  76.645  2.9377 73.944  4.2942 2.700745       5.202855 
1 1 1 6  23 25 o 81.634  2.3991 66.777   2.5906  81.312  2.6270 81.956  4.0153 -0.6435089     4.798292 
1 1 1 6  23 27 o 70.681  2.3732 50.301   2.2779  71.067  2.7620 70.295  3.8600 0.7718277      4.746441 
1 1 1 6  23 29 o 30.864  4.0439 9.8376   1.7243  28.414  5.8873 33.315  5.5454 -4.900320      8.087768 
1 1 1 6  23 31 o 28.116  5.7512 7.8162   1.3019  28.968  2.5909 27.265  11.207 1.703098       11.50233 
1 1 1 6  23 33 o 18.997  6.2421 -5.5399  3.9339  18.510  8.3274 19.484  9.3009 -0.9738140     12.48410 
1 1 1 6  23 35 o 19.213  6.1733 -3.3608  3.7178  19.756  8.6746 18.670  8.7858 1.086338       12.34661 
1 1 1 6  23 37 o 60.703  4.5181 39.721   3.8543  55.433  6.5613 65.973  6.2131 -10.53988      9.036215 
1 1 1 6  23 39 o 25.864  6.9754 8.4205   3.5484  25.502  9.7384 26.227  9.9894 -0.7244263     13.95081 
1 1 1 6  23 41 o 26.970  6.9935 10.377   3.5710  29.172  9.8399 24.768  9.9404 4.404688       13.98697 
1 1 1 6  24 0  o 17.203  9.2862 4.2722   4.3877  17.203  9.2862 ?       ?      0.000000       0.000000 
1 1 1 6  24 2  o 114.036 1.7720 129.816  2.8505  108.320 2.5050 119.752 2.5069 -11.43217      3.543961 
1 1 1 6  24 4  o 91.511  2.0683 82.515   2.6321  84.365  2.7373 98.658  3.1014 -14.29307      4.136608 
1 1 1 6  24 6  o 78.172  2.1674 61.173   2.3955  79.426  3.0528 76.917  3.0774 2.508781       4.334746 
1 1 1 6  24 8  o 162.952 1.7288 265.518  3.9760  164.930 2.5203 160.975 2.3670 3.956055       3.457562 
1 1 1 6  24 10 o 220.350 1.9093 485.775  5.9324  218.817 2.5856 221.885 2.8101 -3.067932      3.818621 
1 1 1 6  24 12 o 276.570 2.1390 768.428  8.2649  281.817 2.7246 271.322 3.2981 10.49435       4.277966 
1 1 1 6  24 14 o 93.025  1.9692 87.077   2.5532  95.517  2.4781 90.533  3.0609 4.984116       3.938302 
1 1 1 6  24 16 o 32.967  5.5104 11.434   2.4339  33.836  6.2032 32.098  9.1091 1.737900       11.02071 
1 1 1 6  24 18 o 133.253 1.8174 178.863  3.3218  136.010 2.1648 130.496 2.9199 5.514160       3.634845 
1 1 1 6  24 20 o 66.250  2.9958 45.667   2.4590  70.465  2.7856 62.035  5.3047 8.430759       5.991596 
1 1 1 6  24 22 o 250.780 2.0973 629.092  7.3484  247.847 2.7020 253.712 3.2085 -5.865463      4.194672 
1 1 1 6  24 24 f 126.987 1.9248 160.129  3.3281  123.141 2.2973 130.832 3.0889 -7.691002      3.849504 
1 1 1 6  24 26 o 82.449  2.3132 68.375   2.5754  82.596  2.6561 82.303  3.7879 0.2938919      4.626340 
1 1 1 6  24 28 o 19.133  5.4437 1.9244   2.2146  17.396  7.1086 20.870  8.2465 -3.473278      10.88750 
1 1 1 6  24 30 o 67.779  2.0327 46.412   1.9233  69.470  2.5762 66.088  3.1449 3.382233       4.065351 
1 1 1 6  24 32 o 35.562  5.9304 12.213   1.3832  33.879  2.3857 37.245  11.618 -3.366238      11.86088 
1 1 1 6  24 34 o 62.008  6.1340 45.405   4.5559  73.484  5.3424 50.532  11.044 22.95135       12.26801 
1 1 1 6  24 36 o 29.858  7.3863 10.581   3.6742  27.961  9.2378 31.755  11.528 -3.793663      14.77256 
1 1 1 6  24 38 f 19.954  6.5230 -1.1783  4.1506  18.811  8.5005 21.096  9.8964 -2.284628      13.04596 
1 1 1 6  24 40 o 28.111  7.1544 10.937   4.1860  34.407  10.380 21.815  9.8482 12.59253       14.30870 
1 1 1 6  25 1  o 19.842  5.3142 2.8264   2.0491  20.158  7.5870 19.526  7.4432 0.6328297      10.62840 
1 1 1 6  25 3  o 68.021  2.4349 46.400   2.3349  67.210  3.6077 68.832  3.2711 -1.621681      4.869863 
1 1 1 6  25 5  o 79.334  2.1929 63.308   2.3753  78.154  3.5457 80.515  2.5813 -2.360519      4.385852 
1 1 1 6  25 7  o 147.013 1.7356 215.719  3.5896  150.401 2.5718 143.626 2.3314 6.774796       3.471267 
1 1 1 6  25 9  o 73.889  2.4016 55.106   2.4704  76.984  2.9997 70.793  3.7513 6.190788       4.803192 
1 1 1 6  25 11 o 90.683  2.1875 82.491   2.7997  93.295  2.9703 88.071  3.2120 5.223602       4.374925 
1 1 1 6  25 13 o 29.203  5.2767 8.9777   2.1383  30.702  6.0446 27.704  8.6509 2.998007       10.55346 
1 1 1 6  25 15 o 79.093  2.4587 61.566   2.6326  74.833  2.9316 83.354  3.9479 -8.521156      4.917372 
1 1 1 6  25 17 o 53.107  3.1625 27.714   2.2530  49.963  3.6976 56.251  5.1317 -6.287823      6.325075 
1 1 1 6  25 19 o 131.913 2.1335 173.489  3.8617  129.404 2.5876 134.422 3.3929 -5.017960      4.267059 
1 1 1 6  25 21 o 93.113  2.4309 86.550   3.0903  91.496  2.9025 94.729  3.9004 -3.233650      4.861898 
1 1 1 6  25 23 o 49.044  3.4885 24.029   2.3904  45.751  4.6689 52.337  5.1845 -6.585701      6.976988 
1 1 1 6  25 25 o 70.007  2.8437 50.330   2.6139  73.089  3.0016 66.925  4.8308 6.164375       5.687381 
1 1 1 6  25 27 o 48.890  3.6697 24.847   2.4125  52.359  4.0797 45.420  6.1011 6.938427       7.339460 
1 1 1 6  25 29 o 16.697  4.9770 -0.8613  2.0971  12.136  5.7304 21.258  8.1390 -9.122190      9.953969 
1 1 1 6  25 31 o 67.798  2.3352 46.973   2.1558  70.363  2.7076 65.233  3.8056 5.129860       4.670492 
1 1 1 6  25 33 o 18.998  5.9813 1.4237   1.3220  13.188  4.6093 24.809  11.039 -11.62130      11.96262 
1 1 1 6  25 35 o 20.313  6.6521 -2.1907  3.9428  16.641  7.7124 23.985  10.841 -7.344803      13.30414 
1 1 1 6  25 37 o 27.195  7.0409 9.0986   3.9019  31.201  9.6072 23.189  10.296 8.012318       14.08181 
1 1 1 6  25 39 o 20.663  6.9047 -0.5234  4.8854  18.310  8.5749 23.016  10.825 -4.706118      13.80945 
1 1 1 6  26 0  o 48.581  4.0966 24.132   3.9258  48.581  4.0966 ?       ?      0.000000       0.000000 
1 1 1 6  26 2  o 57.574  2.9883 33.116   2.3904  56.591  3.7746 58.557  4.6338 -1.966171      5.976609 
1 1 1 6  26 4  o 173.595 1.8236 301.805  4.4726  172.161 2.6492 175.028 2.5068 -2.867630      3.647235 
1 1 1 6  26 6  o 61.431  3.1662 38.264   2.7085  65.622  3.9590 57.240  4.9422 8.382427       6.332320 
1 1 1 6  26 8  o 20.039  5.5907 2.2494   2.3207  18.624  7.4894 21.454  8.3025 -2.830091      11.18132 
1 1 1 6  26 10 o 160.658 1.6773 258.308  3.8068  161.694 2.4279 159.621 2.3148 2.073288       3.354541 
1 1 1 6  26 12 f 185.607 1.9908 347.026  4.9317  188.254 2.2080 182.961 3.3132 5.293137       3.981569 
1 1 1 6  26 14 o 96.441  2.1305 93.432   2.6863  96.940  2.2631 95.942  3.6104 0.9980545      4.261074 
1 1 1 6  26 16 o 29.131  5.2290 8.9804   2.3310  35.492  5.3679 22.770  8.9752 12.72207       10.45791 
1 1 1 6  26 18 o 16.350  5.1957 -2.1650  2.4090  15.497  6.7526 17.202  7.8983 -1.705426      10.39143 
1 1 1 6  26 20 o 36.260  5.0238 13.513   2.4367  35.402  5.8707 37.117  8.1542 -1.714695      10.04767 
1 1 1 6  26 22 o 121.765 2.2544 148.775  3.5697  121.498 2.3759 122.032 3.8321 -0.5336761     4.508807 
1 1 1 6  26 24 o 182.180 1.9701 334.301  4.9424  183.984 2.3848 180.376 3.1367 3.608215       3.940287 
1 1 1 6  26 26 o 47.405  3.6591 22.825   2.4506  46.337  5.1083 48.473  5.2405 -2.135906      7.318244 
1 1 1 6  26 28 o 30.975  5.9609 10.347   2.6321  28.799  7.8187 33.151  8.9998 -4.352432      11.92173 
1 1 1 6  26 30 o 117.673 1.8037 140.001  2.9393  119.605 2.2204 115.740 2.8432 3.865036       3.607485 
1 1 1 6  26 32 o 62.848  2.4761 40.352   2.1878  63.741  3.2606 61.956  3.7273 1.785404       4.952235 
1 1 1 6  26 34 o 15.653  5.1962 0.2552   1.1230  10.995  4.1782 20.312  9.5154 -9.316004      10.39235 
1 1 1 6  26 36 o 33.378  7.9737 16.169   4.3385  29.832  10.246 36.925  12.220 -7.093355      15.94743 
1 1 1 6  26 38 o 23.064  6.8590 4.8346   4.2461  26.098  9.8002 20.030  9.5990 6.067780       13.71802 
1 1 1 6  27 1  f 313.447 2.2336 984.352  9.9003  314.187 3.1789 312.706 3.1386 1.481262       4.467215 
1 1 1 6  27 3  o 288.641 2.3124 834.915  9.4391  289.199 3.2739 288.083 3.2665 1.116302       4.624801 
1 1 1 6  27 5  o 103.952 2.0227 107.999  2.9662  98.629  2.8682 109.274 2.8529 -10.64517      4.045475 
1 1 1 6  27 7  o 153.944 1.7903 236.542  3.8711  150.101 2.3847 157.787 2.6710 -7.686020      3.580602 
1 1 1 6  27 9  o 226.244 2.2831 513.170  7.2975  226.788 3.3093 225.699 3.1463 1.089203       4.566252 
1 1 1 6  27 11 o 102.951 2.1185 106.617  3.0326  104.686 2.6471 101.217 3.3082 3.468925       4.236923 
1 1 1 6  27 13 f 67.939  2.9954 44.701   2.7203  61.522  3.5659 74.355  4.8139 -12.83290      5.990780 
1 1 1 6  27 15 o 145.213 2.1363 211.640  4.1381  145.681 2.3778 144.745 3.5498 0.9358368      4.272566 
1 1 1 6  27 17 o 146.994 1.9668 217.797  3.9025  149.260 2.2434 144.729 3.2311 4.530945       3.933540 
1 1 1 6  27 19 o 109.993 1.9761 122.155  2.9845  112.559 2.3594 107.427 3.1707 5.131554       3.952224 
1 1 1 6  27 21 o 61.966  3.6517 38.891   2.8618  61.966  3.6335 61.967  6.3353 -0.5264282E-03 7.303361 
1 1 1 6  27 23 o 57.411  3.9104 34.869   2.8250  61.911  3.7300 52.911  6.8741 9.000103       7.820868 
1 1 1 6  27 25 o 30.426  6.2032 9.8710   2.7334  29.434  7.7417 31.419  9.6946 -1.985298      12.40639 
1 1 1 6  27 27 o 21.809  5.9423 3.3679   2.6545  23.109  7.9924 20.508  8.7957 2.601187       11.88455 
1 1 1 6  27 29 o 19.093  5.3973 2.2260   2.1982  19.395  7.1820 18.791  8.0586 0.6040916      10.79456 
1 1 1 6  27 31 o 15.896  4.9125 -1.6896  2.2771  18.746  7.5686 13.045  6.2648 5.701116       9.824986 
1 1 1 6  27 33 o 19.816  5.0907 3.6480   1.9813  22.864  7.2291 16.769  7.1694 6.094482       10.18134 
1 1 1 6  27 35 o 26.179  7.6200 7.5370   4.4100  19.695  8.8479 32.662  12.409 -12.96735      15.24001 
1 1 1 6  27 37 o 33.576  7.9616 19.101   4.2386  32.787  9.6027 34.366  12.702 -1.579430      15.92326 
1 1 1 6  28 0  o 263.440 3.1567 695.212  16.627  263.440 3.1567 ?       ?      0.000000       0.000000 
1 1 1 6  28 2  o 191.741 1.9277 368.479  5.2233  190.334 2.7905 193.147 2.6602 -2.812714      3.855388 
1 1 1 6  28 4  o 40.597  4.7613 16.948   2.6507  44.846  6.1793 36.348  7.2454 8.498131       9.522585 
1 1 1 6  28 6  o 76.747  2.7459 58.947   2.9393  75.390  3.5226 78.103  4.2133 -2.712624      5.491889 
1 1 1 6  28 8  o 95.372  2.1854 91.275   2.9443  92.799  3.1728 97.944  3.0061 -5.145393      4.370772 
1 1 1 6  28 10 o 181.576 1.9934 331.509  5.0385  184.617 2.5017 178.535 3.1043 6.081406       3.986896 
1 1 1 6  28 12 o 131.343 2.0511 171.939  3.5087  129.791 2.1796 132.894 3.4754 -3.103058      4.102287 
1 1 1 6  28 14 o 53.063  3.4571 28.371   2.5143  52.912  4.1462 53.213  5.5331 -0.3016930     6.914193 
1 1 1 6  28 16 o 16.987  5.3814 -1.9443  2.5477  15.919  6.9425 18.054  8.2243 -2.134501      10.76272 
1 1 1 6  28 18 f 21.554  6.0269 2.8635   2.6326  20.555  7.7789 22.552  9.2079 -1.996973      12.05389 
1 1 1 6  28 20 o 51.717  3.7626 26.877   2.4906  50.615  3.8781 52.818  6.4489 -2.202744      7.525183 
1 1 1 6  28 22 o 87.368  2.6109 76.573   3.1290  85.829  3.1614 88.907  4.1559 -3.077850      5.221700 
1 1 1 6  28 24 f 115.466 2.3037 133.082  3.4919  113.034 2.5027 117.897 3.8685 -4.863579      4.607456 
1 1 1 6  28 26 o 69.356  3.1487 48.374   3.0107  65.626  3.9587 73.086  4.8976 -7.459160      6.297409 
1 1 1 6  28 28 o 21.356  6.2059 2.4696   2.7981  17.575  7.4310 25.137  9.9416 -7.561922      12.41189 
1 1 1 6  28 30 o 32.927  5.4866 13.006   2.6139  40.072  5.4747 25.782  9.5100 14.29033       10.97328 
1 1 1 6  28 32 o 18.543  5.5256 2.1055   2.3772  16.462  7.0034 20.623  8.5487 -4.161222      11.05113 
1 1 1 6  28 34 f 39.769  5.6283 19.944   2.4698  44.022  4.0654 35.516  10.497 8.506874       11.25653 
1 1 1 6  28 36 f 27.007  7.5661 12.776   4.1598  24.641  9.7725 29.373  11.554 -4.731838      15.13228 
1 1 1 6  29 1  o 80.453  2.6693 65.076   3.0285  81.969  3.5920 78.937  3.9494 3.032082       5.338576 
1 1 1 6  29 3  o 76.833  2.5286 59.327   2.7420  79.052  3.4324 74.613  3.7140 4.439018       5.057240 
1 1 1 6  29 5  o 62.118  3.2541 39.421   2.7926  67.387  3.9409 56.848  5.1793 10.53878       6.508151 
1 1 1 6  29 7  o 28.706  6.1643 8.3475   2.7177  25.630  8.4004 31.782  9.0238 -6.152445      12.32868 
1 1 1 6  29 9  f 62.827  3.1501 39.656   2.7926  60.965  4.3561 64.689  4.5516 -3.723248      6.300156 
1 1 1 6  29 11 o 62.753  3.0264 39.378   2.6470  60.507  3.9120 64.999  4.6186 -4.492237      6.052713 
1 1 1 6  29 13 o 21.797  6.2945 1.6273   2.9697  17.466  7.6023 26.128  10.034 -8.661585      12.58899 
1 1 1 6  29 15 o 47.573  4.3153 21.286   2.6546  39.501  5.1154 55.645  6.9514 -16.14377      8.630689 
1 1 1 6  29 17 o 81.656  2.5106 67.375   2.7921  82.457  2.9406 80.855  4.0699 1.601547       5.021111 
1 1 1 6  29 19 o 126.277 2.1611 158.754  3.7244  122.156 2.5994 130.399 3.4533 -8.242653      4.322297 
1 1 1 6  29 21 o 57.635  3.5776 32.853   2.7643  53.273  4.2265 61.998  5.7735 -8.724545      7.155117 
1 1 1 6  29 23 o 24.976  6.1109 5.4204   2.8294  28.137  7.6125 21.815  9.5616 6.322226       12.22184 
1 1 1 6  29 25 o 53.823  3.8294 30.062   2.8450  54.375  4.6717 53.270  6.0691 1.104671       7.658848 
1 1 1 6  29 27 o 60.445  3.6089 37.430   3.0107  56.734  4.5792 64.156  5.5792 -7.421814      7.217793 
1 1 1 6  29 29 o 28.817  6.1395 9.6425   2.6139  26.993  7.7300 30.640  9.5405 -3.647036      12.27901 
1 1 1 6  29 31 o 16.539  5.2645 -2.3739  2.6470  12.161  5.9350 20.916  8.6969 -8.754626      10.52906 
1 1 1 6  29 33 o 34.086  5.1833 14.056   2.3368  32.984  6.1794 35.187  8.3235 -2.202858      10.36662 
1 1 1 6  29 35 o 45.121  6.9633 30.032   4.0520  49.119  6.5819 41.123  12.273 7.996143       13.92655 
1 1 1 6  30 0  o 283.784 3.4189 807.444  19.398  283.784 3.4189 ?       ?      0.000000       0.000000 
1 1 1 6  30 2  o 211.192 2.0006 447.285  5.9740  213.479 2.8396 208.905 2.8188 4.573959       4.001128 
1 1 1 6  30 4  o 120.086 2.0383 145.445  3.4232  124.315 2.6007 115.856 3.1393 8.458717       4.076630 
1 1 1 6  30 6  o 95.925  2.3832 92.186   3.2237  101.077 3.3699 90.774  3.3708 10.30322       4.766406 
1 1 1 6  30 8  f 49.176  3.7359 24.436   2.5928  51.438  5.2751 46.914  5.2916 4.524036       7.471829 
1 1 1 6  30 10 o 78.705  2.7923 61.760   2.9030  76.858  3.0797 80.552  4.6586 -3.694313      5.584558 
1 1 1 6  30 12 o 25.082  5.8932 6.0586   2.5298  27.579  7.8099 22.584  8.8276 4.994949       11.78644 
1 1 1 6  30 14 o 40.711  5.4216 17.460   2.8911  41.168  5.8899 40.254  9.1041 0.9139366      10.84325 
1 1 1 6  30 16 o 34.051  6.0757 12.459   2.7039  34.709  6.2125 33.392  10.443 1.317188       12.15132 
1 1 1 6  30 18 o 38.839  5.2956 15.674   2.7111  37.532  5.9991 40.146  8.7283 -2.614494      10.59114 
1 1 1 6  30 20 o 39.228  5.5127 16.491   2.8074  40.224  5.7411 38.232  9.4127 1.991436       11.02542 
1 1 1 6  30 22 o 23.060  6.3697 3.2526   2.8757  17.266  7.4204 28.853  10.355 -11.58743      12.73945 
1 1 1 6  30 24 o 19.728  5.8218 -1.9868  3.2280  23.615  8.7121 15.840  7.7248 7.775170       11.64359 
1 1 1 6  30 26 o 15.821  5.2402 -5.9173  3.0699  16.823  7.5589 14.819  7.2595 2.004055       10.48034 
1 1 1 6  30 28 o 39.688  6.1762 18.635   3.2144  40.075  6.4827 39.300  10.515 0.7751923      12.35234 
1 1 1 6  30 30 o 21.597  5.9379 4.8469   2.5351  19.465  7.6724 23.730  9.0647 -4.265085      11.87580 
1 1 1 6  30 32 o 19.872  5.9432 3.1209   2.8720  20.067  8.0166 19.677  8.7761 0.3908577      11.88639 
1 1 1 6  31 1  o 108.101 2.3042 117.499  3.5207  108.511 3.1923 107.691 3.3238 0.8200760      4.608471 
1 1 1 6  31 3  o 126.486 2.0810 160.182  3.7056  122.782 2.8212 130.189 3.0598 -7.406570      4.161923 
1 1 1 6  31 5  o 119.389 2.1900 143.089  3.6804  118.073 2.9337 120.704 3.2524 -2.631050      4.380053 
1 1 1 6  31 7  o 21.019  6.1053 1.0656   3.0307  23.947  9.1503 18.091  8.0851 5.855223       12.21051 
1 1 1 6  31 9  o 121.073 2.1886 144.996  3.3876  117.328 2.2635 124.818 3.7465 -7.489601      4.377165 
1 1 1 6  31 11 o 96.031  2.5986 92.563   3.3876  94.673  3.0490 97.389  4.2089 -2.716080      5.197230 
1 1 1 6  31 13 f 28.409  6.0187 8.3202   2.7225  32.236  6.8343 24.581  9.9092 7.655590       12.03747 
1 1 1 6  31 15 o 34.749  6.0750 13.138   2.9393  34.574  7.8574 34.924  9.2672 -0.3498955     12.14990 
1 1 1 6  31 17 o 74.630  3.3219 56.321   3.4239  72.768  4.1255 76.492  5.2078 -3.723534      6.643857 
1 1 1 6  31 19 o 29.641  6.5940 9.2582   3.2330  33.342  7.7577 25.939  10.665 7.402386       13.18794 
1 1 1 6  31 21 o 47.662  4.8665 23.115   3.0588  37.514  6.8736 57.809  6.8908 -20.29507      9.732932 
1 1 1 6  31 23 o 19.182  5.9251 -0.6939  3.0431  15.395  7.1840 22.970  9.4241 -7.575027      11.85010 
1 1 1 6  31 25 o 27.349  6.8164 8.3438   3.0628  24.631  8.3022 30.067  10.813 -5.435125      13.63272 
1 1 1 6  31 27 o 27.729  6.9057 9.9596   3.2468  25.882  8.7824 29.576  10.659 -3.694378      13.81143 
1 1 1 6  31 29 o 17.256  5.4653 0.3441   2.5006  16.109  6.7672 18.404  8.5840 -2.295221      10.93067 
1 1 1 6  31 31 o 21.800  6.2728 5.7623   2.9716  21.131  8.2766 22.468  9.4282 -1.336798      12.54570 
1 1 1 6  32 0  o 149.926 3.0449 225.733  9.1217  149.926 3.0449 ?       ?      0.000000       0.000000 
1 1 1 6  32 2  o 123.783 2.1451 154.174  3.7490  123.387 3.1349 124.179 2.9290 -0.7920227     4.290269 
1 1 1 6  32 4  o 119.927 2.3150 144.850  3.9258  118.892 3.3020 120.962 3.2455 -2.070007      4.629917 
1 1 1 6  32 6  o 77.248  2.7271 60.246   2.9707  81.673  3.7464 72.823  3.9639 8.850113       5.454170 
1 1 1 6  32 8  o 60.675  4.4018 38.845   3.6062  70.317  5.0083 51.032  7.2403 19.28541       8.803688 
1 1 1 6  32 10 o 76.629  3.2666 58.916   3.2474  75.153  3.4569 78.104  5.5438 -2.950752      6.533266 
1 1 1 6  32 12 o 63.811  3.6733 41.749   3.1083  64.783  4.0102 62.838  6.1556 1.945328       7.346651 
1 1 1 6  32 14 o 36.501  6.2933 14.816   3.1825  37.718  7.7660 35.285  9.9051 2.433121       12.58653 
1 1 1 6  32 16 o 72.934  3.2084 53.539   3.1682  70.025  3.7925 75.844  5.1762 -5.818481      6.416823 
1 1 1 6  32 18 o 35.799  6.5579 14.635   3.2231  35.879  7.6304 35.718  10.668 0.1608543      13.11572 
1 1 1 6  32 20 o 32.752  6.0838 12.355   2.9080  37.239  6.2012 28.265  10.469 8.974390       12.16762 
1 1 1 6  32 22 o 47.169  5.3015 23.165   2.9212  43.182  4.9467 51.155  9.3783 -7.973518      10.60299 
1 1 1 6  32 24 o 22.675  6.6619 3.3456   3.1662  16.465  7.3153 28.885  11.136 -12.42067      13.32371 
1 1 1 6  32 26 o 27.165  6.7731 9.5896   3.2411  27.865  9.0584 26.466  10.072 1.399632       13.54613 
1 1 1 6  32 28 o 19.383  6.0161 1.9402   2.8920  15.388  6.9738 23.378  9.8051 -7.990263      12.03224 
1 1 1 6  32 30 o 19.737  5.9305 2.5906   3.2468  22.514  8.6128 16.961  8.1550 5.553310       11.86103 
1 1 1 6  33 1  o 143.972 2.0983 208.369  4.2652  145.801 3.0489 142.143 2.8837 3.657669       4.196638 
1 1 1 6  33 3  o 165.210 2.1145 274.868  4.9346  167.308 2.8986 163.112 3.0793 4.195786       4.228909 
1 1 1 6  33 5  o 146.210 1.9578 214.268  4.0008  143.412 2.5361 149.007 2.9833 -5.594299      3.915657 
1 1 1 6  33 7  o 56.472  4.4422 32.519   3.5109  50.984  6.2280 61.960  6.3361 -10.97595      8.884486 
1 1 1 6  33 9  o 75.786  3.3175 59.527   3.2408  78.863  3.3675 72.709  5.7169 6.153503       6.634984 
1 1 1 6  33 11 o 92.108  2.6409 85.667   3.3084  90.833  3.1144 93.383  4.2658 -2.549904      5.281723 
1 1 1 6  33 13 o 104.365 2.7139 110.248  3.6641  104.020 2.8306 104.710 4.6314 -0.6898880     5.427857 
1 1 1 6  33 15 o 67.840  3.3836 46.213   3.0588  63.643  3.9007 72.038  5.5298 -8.394901      6.767107 
1 1 1 6  33 17 o 36.792  6.6035 16.403   3.3835  43.512  5.7053 30.071  11.911 13.44121       13.20704 
1 1 1 6  33 19 o 30.297  6.7141 10.812   3.2635  33.170  7.9284 27.425  10.838 5.745411       13.42811 
1 1 1 6  33 21 o 21.805  6.1434 3.2753   2.9351  23.103  7.9922 20.507  9.3323 2.595900       12.28688 
1 1 1 6  33 23 o 23.061  6.4444 5.5145   3.2237  25.390  9.2629 20.731  8.9622 4.659418       12.88888 
1 1 1 6  33 25 o 21.382  6.3459 4.3794   2.9691  19.092  7.7416 23.673  10.057 -4.581444      12.69170 
1 1 1 6  33 27 o 16.413  5.3873 -2.6370  3.1103  17.231  7.6556 15.595  7.5817 1.636064       10.77457 
1 1 1 6  34 0  o 33.442  10.113 14.318   5.8887  33.442  10.113 ?       ?      0.000000       0.000000 
1 1 1 6  34 2  o 27.426  6.5285 7.4013   3.1711  32.641  9.5066 22.210  8.9503 10.43009       13.05693 
1 1 1 6  34 4  o 50.560  4.6373 26.796   3.2654  51.501  5.8291 49.618  7.2139 1.883335       9.274677 
1 1 1 6  34 6  o 111.929 2.4094 126.640  3.7963  112.880 3.5801 110.978 3.2253 1.902443       4.818717 
1 1 1 6  34 8  o 48.776  5.0966 25.311   3.1366  49.097  5.1739 48.455  8.7824 0.6416664      10.19316 
1 1 1 6  34 10 o 44.125  5.6313 22.453   2.9391  49.333  4.6810 38.917  10.244 10.41569       11.26258 
1 1 1 6  34 12 o 66.279  4.1728 46.087   3.4174  67.432  3.9383 65.125  7.3578 2.306755       8.345511 
1 1 1 6  34 14 o 31.596  6.3373 11.166   2.7689  28.368  7.5845 34.823  10.155 -6.454899      12.67467 
1 1 1 6  34 16 f 45.070  6.0351 23.574   3.4575  47.672  5.9341 42.467  10.511 5.204395       12.07029 
1 1 1 6  34 18 o 39.407  6.4320 18.513   3.1560  41.404  5.7169 37.409  11.524 3.995560       12.86406 
1 1 1 6  34 20 o 51.303  4.9642 30.760   3.1868  54.901  4.8372 47.705  8.6704 7.195919       9.928493 
1 1 1 6  34 22 o 33.368  5.9905 15.103   3.2950  42.787  6.0719 23.949  10.328 18.83789       11.98097 
1 1 1 6  34 24 o 20.594  6.6561 1.8115   3.7377  18.376  7.9724 22.811  10.661 -4.435120      13.31227 
1 1 1 6  34 26 o 24.971  6.3413 8.9817   2.7292  23.263  7.9975 26.678  9.8432 -3.415125      12.68260 
1 1 1 6  35 1  o 94.392  2.7570 91.091   3.6549  96.057  3.6061 92.728  4.1714 3.329010       5.514063 
1 1 1 6  35 3  o 109.398 2.4694 121.815  3.8103  113.989 3.3427 104.806 3.6356 9.182472       4.938756 
1 1 1 6  35 5  o 87.416  2.9195 78.180   3.6080  86.674  4.1964 88.159  4.0602 -1.484940      5.839049 
1 1 1 6  35 7  o 28.505  6.3506 8.3929   3.2794  34.204  7.7704 22.805  10.047 11.39861       12.70126 
1 1 1 6  35 9  o 69.928  3.8618 52.053   3.4309  72.869  3.8029 66.987  6.7224 5.882492       7.723519 
1 1 1 6  35 11 o 83.196  3.2413 71.660   3.4639  83.428  3.3216 82.964  5.5670 0.4641800      6.482635 
1 1 1 6  35 13 o 25.084  6.8417 5.9343   3.3834  25.647  8.5935 24.521  10.648 1.125961       13.68349 
1 1 1 6  35 15 o 41.061  5.9471 18.502   2.8667  37.671  5.5172 44.451  10.537 -6.780018      11.89429 
1 1 1 6  35 17 o 53.881  4.5633 32.549   3.4024  52.716  5.6948 55.045  7.1320 -2.328632      9.126623 
1 1 1 6  35 19 o 48.791  5.0073 25.604   2.9866  43.556  5.0367 54.026  8.6557 -10.46918      10.01451 
1 1 1 6  35 21 o 58.316  3.9657 37.200   3.0588  56.127  4.4230 60.506  6.5837 -4.379086      7.931462 
1 1 1 6  35 23 o 29.638  6.6370 13.569   3.1831  32.057  8.8837 27.218  9.8629 4.838839       13.27392 
1 1 1 6  36 0  o 26.958  12.488 11.893   7.3897  26.958  12.488 ?       ?      0.000000       0.000000 
1 1 1 6  36 2  o 61.576  4.0150 39.856   3.4639  67.757  5.6235 55.395  5.7321 12.36239       8.029959 
1 1 1 6  36 4  o 69.463  3.5005 50.465   3.4232  69.896  5.2037 69.031  4.6834 0.8647919      7.000913 
1 1 1 6  36 6  o 28.790  6.3174 9.3765   3.2489  34.913  8.0892 22.666  9.7059 12.24711       12.63479 
1 1 1 6  36 8  o 34.032  6.2920 14.377   3.2706  41.550  5.8358 26.514  11.149 15.03640       12.58408 
1 1 1 6  36 10 o 17.723  5.7887 -2.3308  3.1860  16.421  7.3848 19.026  8.9163 -2.604727      11.57735 
1 1 1 6  36 12 o 19.818  6.3716 0.0866   3.6507  18.389  8.0991 21.246  9.8383 -2.856901      12.74316 
1 1 1 6  36 14 o 21.463  6.6099 2.0327   3.5087  16.124  7.4511 26.801  10.920 -10.67685      13.21981 
1 1 1 6  36 16 o 23.621  6.8279 6.3829   3.4861  21.458  8.7269 25.784  10.504 -4.326643      13.65588 
1 1 1 6  36 18 o 17.006  5.7416 -3.7174  3.4919  14.541  6.9507 19.471  9.1408 -4.929762      11.48328 
1 1 1 6  36 20 o 24.904  6.4714 9.0418   3.1087  26.987  8.2341 22.821  9.9858 4.165554       12.94287 
1 1 1 6  37 1  o 33.242  6.7852 14.445   3.3974  36.905  9.6068 29.578  9.5847 7.327122       13.57042 
1 1 1 6  37 3  o 24.020  6.6481 5.7529   3.4154  28.620  10.205 19.419  8.5238 9.201260       13.29619 
1 1 1 6  37 5  o 34.163  6.0677 15.025   2.9477  37.975  7.1044 30.351  9.8384 7.624313       12.13537 
1 1 1 6  37 7  f 48.378  5.7096 26.202   3.3353  43.303  5.7329 53.453  9.8759 -10.15046      11.41925 
1 1 1 6  37 9  o 39.046  6.7530 20.096   3.4122  42.954  5.9139 35.138  12.142 7.816090       13.50597 
1 1 1 6  37 11 o 17.497  5.6519 -4.8547  3.5421  19.496  8.2438 15.498  7.7342 3.998057       11.30385 
1 1 1 6  37 13 o 18.930  6.1270 0.0018   3.6054  18.276  8.1652 19.583  9.1372 -1.306841      12.25395 
1 1 1 6  37 15 o 24.928  6.2262 6.5878   3.4748  31.175  8.7303 18.682  8.8794 12.49303       12.45239 
1 1 1 6  37 17 o 19.561  5.9547 1.5010   3.4496  22.324  8.5928 16.799  8.2459 5.524658       11.90933 
1 1 1 6  38 0  o 11.040  7.7253 -3.6949  6.0042  11.040  7.7253 ?       ?      0.000000       0.000000 
1 1 1 6  38 2  o 25.769  6.7913 8.5707   3.5221  22.439  9.6222 29.099  9.5865 -6.659597      13.58266 
1 1 1 6  38 4  o 22.999  6.6083 6.0080   3.4024  23.787  9.0710 22.212  9.6123 1.574743       13.21660 
1 1 1 6  38 6  o 24.175  6.6171 7.3051   3.2753  25.392  8.6885 22.958  9.9826 2.433289       13.23411 
1 1 1 6  38 8  o 47.582  6.2996 29.608   3.7522  51.801  5.9069 43.363  11.129 8.437538       12.59917 
1 1 1 6  38 10 o 29.156  7.2574 12.349   3.4946  28.009  8.7441 30.302  11.585 -2.292328      14.51470 
1 1 1 6  38 12 o 22.679  6.8698 6.3712   3.6190  18.019  7.9968 27.339  11.173 -9.319347      13.73960 
1 1 1 6  38 14 o 29.374  6.7205 13.359   3.5658  34.841  8.7797 23.906  10.177 10.93483       13.44096 
1 1 1 6  39 1  o 63.229  4.3903 47.203   3.8258  60.940  7.0105 65.518  5.2870 -4.577629      8.780603 
1 1 1 6  39 3  o 34.565  6.1987 17.905   3.3475  42.640  6.6343 26.490  10.473 16.15032       12.39740 
1 1 1 6  39 5  o 22.947  6.9124 7.2122   3.6190  19.148  8.2637 26.746  11.083 -7.598015      13.82470 
1 1 1 6  39 7  o 18.061  5.7719 0.1494   3.3281  19.489  8.2888 16.633  8.0348 2.856586       11.54390 
1 1 1 6  39 9  o 23.641  7.1712 7.4652   4.1329  22.537  9.3107 24.745  10.909 -2.207676      14.34233 
1 1 1 7  1  0  o 142.677 1.9025 203.680  5.4268  142.677 1.9025 ?       ?      0.000000       0.000000 
1 1 1 7  1  2  o 1199.86 9.6974 14410.61 164.462 1216.70 13.865 1183.01 13.562 33.69312       19.39474 
1 1 1 7  1  4  o 126.843 1.0799 160.985  1.9302  126.092 1.6025 127.594 1.4479 -1.502220      2.159734 
1 1 1 7  1  6  o 226.834 1.6824 514.037  5.3904  222.686 2.3333 230.982 2.4244 -8.296036      3.364847 
1 1 1 7  1  8  o 309.903 2.0417 960.399  8.9470  311.784 2.9071 308.022 2.8677 3.762115       4.083498 
1 1 1 7  1  10 o 223.598 1.5153 499.955  4.7911  224.798 2.1573 222.398 2.1286 2.400757       3.030668 
1 1 1 7  1  12 o 64.828  1.0393 42.022   0.9517  65.006  1.5098 64.650  1.4288 0.3560028      2.078684 
1 1 1 7  1  14 f 258.256 1.8877 664.719  6.7751  254.158 2.3851 262.354 2.9267 -8.196793      3.775496 
1 1 1 7  1  16 o 553.138 3.3476 3048.67  25.369  545.942 4.0290 560.335 5.3473 -14.39301      6.695294 
1 1 1 7  1  18 o 566.938 3.4700 3188.46  26.703  552.886 4.0933 580.989 5.6044 -28.10309      6.940043 
1 1 1 7  1  20 o 434.332 2.7410 1892.40  16.480  439.734 3.3741 428.930 4.3205 10.80405       5.481953 
1 1 1 7  1  22 o 413.848 2.6324 1707.41  14.894  409.182 3.1464 418.513 4.2212 -9.331635      5.264756 
1 1 1 7  1  24 o 404.473 2.9573 1636.80  16.912  398.504 4.1868 410.443 4.1776 -11.93933      5.914514 
1 1 1 7  1  26 o 204.215 1.6010 417.865  4.5373  205.804 1.9917 202.626 2.5073 3.177597       3.202090 
1 1 1 7  1  28 o 194.055 1.7945 377.929  4.8167  196.609 2.2023 191.501 2.8338 5.107758       3.588974 
1 1 1 7  1  30 o 215.649 1.7273 466.072  5.2435  212.296 2.5834 219.001 2.2935 -6.704330      3.454591 
1 1 1 7  1  32 o 161.003 1.5833 258.210  3.5896  153.427 2.1825 168.579 2.2945 -15.15237      3.166680 
1 1 1 7  1  34 o 81.368  1.6410 66.053   1.8403  82.352  2.5939 80.385  2.0110 1.966858       3.282094 
1 1 1 7  1  36 o 143.490 1.5459 206.818  3.1004  140.661 2.3805 146.319 1.9728 -5.658005      3.091749 
1 1 1 7  1  38 o 16.997  4.9390 1.0427   1.8194  18.201  7.6016 15.793  6.3080 2.407680       9.878030 
1 1 1 7  1  40 o 15.295  4.7762 -0.8534  1.8976  17.064  7.4697 13.525  5.9542 3.538967       9.552419 
1 1 1 7  1  42 o 44.775  3.5311 20.294   2.0966  45.077  5.8914 44.472  3.8945 0.6047859      7.062269 
1 1 1 7  1  44 o 51.354  3.4372 27.108   2.2425  50.327  5.9652 52.382  3.4166 -2.055378      6.874353 
1 1 1 7  1  46 o 56.789  3.1649 32.271   2.2556  59.046  5.4754 54.532  3.1761 4.514606       6.329879 
1 1 1 7  1  48 o 27.324  4.9417 8.5470   2.3040  19.193  8.4971 35.456  5.0476 -16.26354      9.883315 
1 1 1 7  1  50 o 22.996  6.3260 6.0144   3.1022  21.094  9.3737 24.897  8.4975 -3.802471      12.65204 
1 1 1 7  2  1  o 498.531 3.1716 2496.91  21.995  487.291 4.9523 509.771 3.9638 -22.48016      6.343263 
1 1 1 7  2  3  o 1354.66 15.628 18395.10 298.737 1320.73 21.541 1388.59 22.647 -67.85840      31.25537 
1 1 1 7  2  5  o 537.643 3.3066 2889.39  25.115  544.071 4.7750 531.215 4.5754 12.85571       6.613266 
1 1 1 7  2  7  o 429.179 2.6538 1841.45  16.094  433.293 3.8240 425.065 3.6807 8.227753       5.307618 
1 1 1 7  2  9  o 318.684 2.0878 1015.18  9.4047  312.852 2.9341 324.516 2.9710 -11.66428      4.175611 
1 1 1 7  2  11 o 660.263 3.8243 4362.53  35.702  659.814 5.3461 660.712 5.4699 -0.8978882     7.648598 
1 1 1 7  2  13 o 393.898 2.4353 1551.35  13.561  388.543 3.4175 399.253 3.4704 -10.70969      4.870627 
1 1 1 7  2  15 o 729.768 4.3275 5323.03  43.519  727.175 5.2796 732.362 6.8582 -5.187012      8.655039 
1 1 1 7  2  17 f 363.639 2.3535 1326.73  11.897  369.240 2.9395 358.038 3.6764 11.20184       4.707066 
1 1 1 7  2  19 o 832.300 4.9420 6928.61  56.537  830.847 5.9758 833.753 7.8730 -2.905823      9.884070 
1 1 1 7  2  21 o 25.247  3.2817 5.9732   1.0983  15.683  4.9485 34.812  4.3119 -19.12862      6.563491 
1 1 1 7  2  23 o 141.140 1.3434 199.468  2.6105  141.776 1.6288 140.504 2.1367 1.272491       2.686699 
1 1 1 7  2  25 f 66.494  1.4779 44.204   1.3760  66.321  1.9151 66.666  2.2516 -0.3451538     2.955871 
1 1 1 7  2  27 f 424.174 2.7324 1805.69  16.061  429.110 3.3769 419.237 4.2965 9.872406       5.464755 
1 1 1 7  2  29 o 213.733 1.7786 457.496  5.3666  217.153 2.4193 210.314 2.6078 6.838806       3.557214 
1 1 1 7  2  31 o 105.406 1.4677 111.816  2.1461  102.525 2.3087 108.287 1.8127 -5.761971      2.935306 
1 1 1 7  2  33 o 106.515 1.5506 114.229  2.2862  103.635 2.4511 109.395 1.8999 -5.760216      3.101216 
1 1 1 7  2  35 o 118.546 1.5705 140.288  2.6011  120.264 2.4002 116.828 2.0261 3.435905       3.141028 
1 1 1 7  2  37 o 40.087  3.8672 17.219   1.9579  34.681  6.7325 45.494  3.8071 -10.81284      7.734345 
1 1 1 7  2  39 o 67.335  2.3859 46.332   2.1194  64.371  4.0359 70.298  2.5459 -5.926224      4.771779 
1 1 1 7  2  41 o 31.804  4.8446 10.743   2.0799  29.725  8.1228 33.882  5.2822 -4.156948      9.689254 
1 1 1 7  2  43 o 27.746  5.8276 7.7764   2.3737  32.570  8.9469 22.922  7.4697 9.647678       11.65521 
1 1 1 7  2  45 o 23.113  5.8473 4.9787   2.3368  25.764  9.0362 20.462  7.4236 5.301710       11.69453 
1 1 1 7  2  47 o 61.005  3.1215 36.448   2.5058  68.724  5.0403 53.286  3.6837 15.43801       6.242954 
1 1 1 7  2  49 o 32.698  6.7735 13.224   2.8527  34.663  11.741 30.733  6.7579 3.930305       13.54698 
1 1 1 7  2  51 o 22.209  6.0979 3.8488   3.4639  17.671  8.6628 26.746  8.5845 -9.074997      12.19579 
1 1 1 7  3  0  o 859.729 7.0789 7394.47  121.700 859.729 7.0789 ?       ?      0.000000       0.000000 
1 1 1 7  3  4  o 714.237 4.4762 5105.07  43.911  713.419 7.1455 715.054 5.3933 -1.635315      8.952464 
1 1 1 7  3  6  o 359.069 2.2510 1289.21  11.428  362.863 3.1980 355.276 3.1688 7.587463       4.501988 
1 1 1 7  3  8  o 404.941 2.5256 1640.00  14.457  404.165 3.5139 405.716 3.6286 -1.551025      5.051175 
1 1 1 7  3  10 f 276.720 1.8145 765.802  7.1006  278.367 2.5717 275.072 2.5605 3.295685       3.629063 
1 1 1 7  3  12 o 250.901 1.7000 628.950  6.0263  244.804 2.3819 256.997 2.4261 -12.19292      3.399924 
1 1 1 7  3  14 o 466.710 2.8427 2178.23  18.757  470.097 4.0650 463.323 3.9749 6.774689       5.685413 
1 1 1 7  3  16 o 718.980 4.2762 5181.54  42.413  724.552 5.2111 713.408 6.7815 11.14343       8.552418 
1 1 1 7  3  18 o 720.030 4.3161 5211.48  43.210  736.855 5.3826 703.204 6.7485 33.65131       8.632219 
1 1 1 7  3  20 o 460.997 2.8316 2125.38  18.060  460.625 3.4968 461.369 4.4547 -0.7435303     5.663251 
1 1 1 7  3  22 o 320.084 2.1711 1029.04  9.6106  325.702 2.6588 314.466 3.4331 11.23523       4.342296 
1 1 1 7  3  24 o 347.733 2.2758 1214.44  11.050  355.647 2.8895 339.820 3.5167 15.82663       4.551544 
1 1 1 7  3  26 o 213.408 1.6647 454.272  4.9056  211.036 2.0517 215.780 2.6220 -4.744476      3.329349 
1 1 1 7  3  28 o 210.452 1.6247 442.644  4.7818  209.266 2.0967 211.638 2.4824 -2.371353      3.249348 
1 1 1 7  3  30 o 153.834 1.6730 236.116  3.5249  152.347 2.0084 155.321 2.6762 -2.973938      3.346043 
1 1 1 7  3  32 o 145.070 1.5938 210.986  3.2596  148.495 2.1383 141.645 2.3640 6.850479       3.187596 
1 1 1 7  3  34 o 14.002  4.3934 -0.9507  1.6088  15.227  6.8546 12.777  5.4974 2.450861       8.786772 
1 1 1 7  3  36 o 114.782 1.6222 132.147  2.6240  112.513 2.4116 117.050 2.1702 -4.536919      3.244350 
1 1 1 7  3  38 o 54.095  2.5684 29.564   1.8991  52.842  4.1517 55.349  3.0249 -2.506954      5.136792 
1 1 1 7  3  40 o 57.040  2.6994 32.432   2.0999  58.795  4.3205 55.284  3.2373 3.510345       5.398753 
1 1 1 7  3  42 o 39.027  4.3626 16.135   2.1790  36.706  7.4943 41.347  4.4681 -4.641018      8.725125 
1 1 1 7  3  44 o 20.300  5.5969 2.9097   2.2169  22.735  8.7020 17.865  7.0411 4.870495       11.19383 
1 1 1 7  3  46 o 19.755  5.3413 1.4946   2.4261  16.290  7.6437 23.219  7.4628 -6.929375      10.68267 
1 1 1 7  3  48 o 32.570  5.6598 13.050   2.5497  27.145  10.072 37.996  5.1661 -10.85072      11.31968 
1 1 1 7  3  50 o 16.263  5.6035 -4.2722  3.0753  20.321  9.5190 12.206  5.9147 8.115191       11.20697 
1 1 1 7  4  1  o 847.829 4.9883 7191.40  59.807  841.510 7.0527 854.148 7.0564 -12.63843      9.976644 
1 1 1 7  4  3  o 1013.93 5.8420 10287.81 83.761  1009.95 8.2087 1017.90 8.3147 -7.949463      11.68402 
1 1 1 7  4  5  o 597.915 3.7540 3582.29  30.923  594.102 5.9666 601.729 4.5573 -7.626404      7.507967 
1 1 1 7  4  7  o 469.541 2.9882 2204.46  19.359  470.231 4.7268 468.851 3.6571 1.380157       5.976402 
1 1 1 7  4  9  o 66.843  0.9773 44.685   0.9237  67.447  1.3695 66.238  1.3945 1.209183       1.954581 
1 1 1 7  4  11 o 221.714 1.5742 491.363  4.9319  224.357 2.2644 219.072 2.1873 5.284256       3.148338 
1 1 1 7  4  13 o 42.409  1.2542 18.012   0.7505  40.775  1.8406 44.042  1.7041 -3.267212      2.508367 
1 1 1 7  4  15 o 734.896 4.5668 5411.40  47.159  743.749 6.0003 726.042 6.8861 17.70679       9.133570 
1 1 1 7  4  17 o 403.274 2.5402 1630.30  14.307  408.497 3.2364 398.050 3.9160 10.44717       5.080317 
1 1 1 7  4  19 o 172.005 1.3475 293.880  3.1880  167.811 1.6514 176.199 2.1297 -8.388123      2.694954 
1 1 1 7  4  21 o 468.680 2.9160 2204.19  18.966  475.222 3.6203 462.138 4.5722 13.08331       5.831937 
1 1 1 7  4  23 o 356.277 2.3728 1266.55  11.620  352.928 2.8790 359.625 3.7726 -6.697327      4.745632 
1 1 1 7  4  25 o 238.418 1.7469 569.032  5.8085  239.381 2.2188 237.455 2.6987 1.925812       3.493742 
1 1 1 7  4  27 o 308.313 2.0864 951.714  8.9221  309.166 2.5956 307.460 3.2672 1.706940       4.172777 
1 1 1 7  4  29 f 269.104 2.2050 722.790  7.8500  267.382 2.4183 270.826 3.6879 -3.444000      4.410029 
1 1 1 7  4  31 o 58.755  2.0501 34.430   1.6909  57.237  2.7233 60.273  3.0651 -3.035439      4.100192 
1 1 1 7  4  33 o 249.988 2.2150 623.857  7.5846  247.318 2.6611 252.658 3.5417 -5.340347      4.430081 
1 1 1 7  4  35 o 30.647  5.1243 9.6001   2.1773  36.083  7.2951 25.211  7.1984 10.87164       10.24868 
1 1 1 7  4  37 o 140.395 1.7157 197.431  3.4052  140.679 2.4623 140.111 2.3899 0.5675812      3.431386 
1 1 1 7  4  39 o 49.407  3.0864 24.738   1.9485  48.737  5.3305 50.076  3.1128 -1.339207      6.172854 
1 1 1 7  4  41 o 32.646  4.7382 10.891   2.0097  34.029  7.9414 31.263  5.1707 2.766603       9.476398 
1 1 1 7  4  43 o 19.536  5.1137 1.8752   2.1485  16.275  7.4941 22.797  6.9598 -6.521708      10.22740 
1 1 1 7  4  45 o 24.653  6.3808 5.2897   2.8608  23.682  10.169 25.624  7.7106 -1.941895      12.76160 
1 1 1 7  4  47 o 28.934  6.3296 9.7688   2.7894  28.718  9.9895 29.150  7.7761 -0.4320889     12.65930 
1 1 1 7  4  49 o 26.888  5.7530 8.7787   2.7375  21.123  9.3041 32.652  6.7693 -11.52963      11.50607 
1 1 1 7  4  51 o 20.429  6.4225 4.0616   3.2921  23.776  10.391 17.082  7.5513 6.693945       12.84493 
1 1 1 7  5  0  o 174.126 1.9899 303.326  6.9279  174.126 1.9899 ?       ?      0.000000       0.000000 
1 1 1 7  5  2  o 57.777  0.9198 33.192   0.7461  52.531  1.3188 63.023  1.2825 -10.49165      1.839562 
1 1 1 7  5  4  o 656.130 3.8700 4306.89  35.909  656.461 5.4614 655.800 5.4845 0.6607666      7.739902 
1 1 1 7  5  6  o 625.680 3.7713 3915.88  33.357  629.015 5.4060 622.346 5.2598 6.669434       7.542548 
1 1 1 7  5  8  o 303.440 2.1070 917.883  8.6161  306.217 3.4502 300.662 2.4194 5.554535       4.213936 
1 1 1 7  5  10 o 300.599 2.0264 904.550  8.4180  299.564 3.1992 301.634 2.4882 -2.070251      4.052869 
1 1 1 7  5  12 o 182.223 1.4047 330.709  3.5563  185.611 2.1773 178.834 1.7755 6.776688       2.809459 
1 1 1 7  5  14 o 810.858 4.6595 6577.64  53.420  814.174 6.6584 807.543 6.5200 6.630615       9.319029 
1 1 1 7  5  16 o 791.701 4.6586 6284.94  51.182  799.613 5.7905 783.790 7.2995 15.82257       9.317299 
1 1 1 7  5  18 o 773.241 4.6203 5962.14  48.861  764.474 5.5280 782.008 7.4047 -17.53400      9.240591 
1 1 1 7  5  20 o 498.640 3.0529 2490.18  21.072  500.962 3.7684 496.318 4.8041 4.644226       6.105750 
1 1 1 7  5  22 o 174.598 1.4129 304.999  3.4168  174.882 1.7496 174.314 2.2190 0.5671692      2.825825 
1 1 1 7  5  24 o 200.764 1.5540 403.175  4.3390  200.840 1.9547 200.688 2.4164 0.1523285      3.108055 
1 1 1 7  5  26 o 333.822 2.5011 1115.20  11.803  333.965 3.5957 333.680 3.4776 0.2854004      5.002293 
1 1 1 7  5  28 o 171.773 1.6697 293.611  3.7953  169.605 1.8381 173.941 2.7880 -4.336166      3.339427 
1 1 1 7  5  30 o 221.725 1.6957 492.558  5.2256  222.965 2.1232 220.484 2.6446 2.480957       3.391470 
1 1 1 7  5  32 o 160.566 1.5482 259.135  3.4811  165.409 1.9895 155.724 2.3727 9.685410       3.096399 
1 1 1 7  5  34 o 28.344  4.2907 8.3467   1.7026  24.712  6.7989 31.976  5.2359 -7.264717      8.581363 
1 1 1 7  5  36 o 28.506  4.7816 8.4412   1.8772  30.707  7.0938 26.305  6.4136 4.401890       9.563271 
1 1 1 7  5  38 o 62.183  2.5508 38.059   2.1983  67.808  3.8313 56.558  3.3685 11.25016       5.101545 
1 1 1 7  5  40 o 21.623  5.2932 4.0428   2.0879  18.786  7.6990 24.460  7.2661 -5.674257      10.58636 
1 1 1 7  5  42 o 56.944  3.2056 32.832   2.5428  57.022  4.9611 56.866  4.0609 0.1553040      6.411171 
1 1 1 7  5  44 o 39.925  5.0119 17.347   2.6321  36.996  8.4521 42.854  5.3887 -5.857903      10.02379 
1 1 1 7  5  46 o 54.420  3.5694 31.907   2.5518  48.327  6.0925 60.513  3.7208 -12.18610      7.138832 
1 1 1 7  5  48 o 33.791  5.3243 13.393   2.3966  35.038  8.4820 32.544  6.4379 2.493805       10.64856 
1 1 1 7  5  50 o 17.324  5.4402 0.0577   2.7535  16.461  7.7359 18.187  7.6510 -1.726316      10.88038 
1 1 1 7  6  1  o 372.131 2.4658 1377.37  12.897  388.764 3.6235 355.498 3.3454 33.26636       4.931650 
1 1 1 7  6  3  o 345.309 2.2807 1189.88  11.112  334.553 3.1579 356.065 3.2914 -21.51172      4.561380 
1 1 1 7  6  5  o 434.026 2.7269 1881.34  16.709  423.842 3.7731 444.210 3.9380 -20.36798      5.453780 
1 1 1 7  6  7  o 521.852 3.2035 2724.47  23.640  521.445 4.4951 522.260 4.5654 -0.8147583     6.406938 
1 1 1 7  6  9  o 419.371 2.7122 1759.14  15.451  419.532 4.4036 419.211 3.1675 0.3208313      5.424416 
1 1 1 7  6  11 o 77.696  1.2014 59.727   1.1415  79.032  2.1184 76.360  1.1341 2.672318       2.402890 
1 1 1 7  6  13 o 1034.91 6.3399 10686.87 91.576  1052.22 9.7115 1017.61 8.1526 34.61102       12.67981 
1 1 1 7  6  15 o 891.789 5.5020 7935.35  68.675  906.999 8.3511 876.578 7.1657 30.42090       11.00402 
1 1 1 7  6  17 o 245.619 1.7082 602.259  5.7778  243.988 2.0823 247.249 2.7086 -3.261841      3.416457 
1 1 1 7  6  19 o 168.949 1.3912 286.188  3.2411  170.641 1.6916 167.255 2.2091 3.386078       2.782407 
1 1 1 7  6  21 o 429.073 2.6735 1838.80  15.738  426.714 3.2200 431.432 4.2687 -4.717865      5.347003 
1 1 1 7  6  23 o 215.655 1.6316 466.590  4.8873  218.752 2.0322 212.559 2.5531 6.192871       3.263125 
1 1 1 7  6  25 o 52.718  1.7397 27.545   1.2829  55.618  2.5950 49.817  2.3178 5.800369       3.479401 
1 1 1 7  6  27 o 98.535  1.3359 97.618   1.8402  101.759 1.7020 95.311  2.0595 6.448235       2.671762 
1 1 1 7  6  29 o 290.358 2.0647 843.701  8.3277  290.206 2.5862 290.509 3.2194 -0.3026428     4.129497 
1 1 1 7  6  31 o 76.427  1.5818 58.619   1.7026  73.405  2.3595 79.449  2.1073 -6.044823      3.163519 
1 1 1 7  6  33 o 200.587 1.8475 405.647  5.0959  206.052 2.2134 195.122 2.9588 10.92998       3.695099 
1 1 1 7  6  35 o 82.843  1.7490 68.645   2.0458  84.475  2.5287 81.211  2.4170 3.264893       3.498033 
1 1 1 7  6  37 o 61.691  2.3259 38.295   2.0190  59.533  3.4911 63.849  3.0743 -4.315380      4.651762 
1 1 1 7  6  39 o 88.695  1.8212 78.950   2.2801  84.890  2.6523 92.499  2.4966 -7.609283      3.642470 
1 1 1 7  6  41 o 17.770  5.1610 1.0610   2.0971  17.254  7.5117 18.286  7.0796 -1.032566      10.32210 
1 1 1 7  6  43 o 55.773  3.1705 31.251   2.3966  57.474  5.1229 54.071  3.7370 3.402412       6.341095 
1 1 1 7  6  45 o 22.622  5.4606 5.2275   2.0594  23.288  8.2703 21.957  7.1326 1.331030       10.92114 
1 1 1 7  6  47 o 42.779  4.1313 19.467   2.4342  43.251  6.5406 42.308  5.0489 0.9429092      8.262642 
1 1 1 7  6  49 o 24.676  5.6082 7.0559   2.3677  30.927  8.3793 18.426  7.4563 12.50089       11.21648 
1 1 1 7  6  51 o 20.652  6.0121 2.1492   3.4488  17.295  8.5336 24.010  8.4711 -6.715014      12.02422 
1 1 1 7  7  0  o 29.481  2.5835 8.8908   1.5010  29.481  2.5835 ?       ?      0.000000       0.000000 
1 1 1 7  7  2  o 369.557 2.4348 1361.94  12.675  380.292 3.5675 358.822 3.3144 21.47025       4.869575 
1 1 1 7  7  4  o 230.751 1.6722 532.443  5.4519  230.101 2.3083 231.401 2.4201 -1.299637      3.344370 
1 1 1 7  7  6  o 243.373 1.7194 592.351  5.9163  243.930 2.4614 242.816 2.4014 1.113953       3.438788 
1 1 1 7  7  8  o 95.307  1.0476 89.966   1.3997  102.333 1.5232 88.280  1.4387 14.05237       2.095274 
1 1 1 7  7  10 o 380.366 2.3880 1447.07  12.845  381.261 3.3919 379.471 3.3623 1.789825       4.775974 
1 1 1 7  7  12 o 159.873 1.3587 256.463  2.9691  158.066 2.1914 161.680 1.6069 -3.613220      2.717425 
1 1 1 7  7  14 o 220.972 1.7762 489.202  5.4589  219.050 2.7674 222.894 2.2275 -3.843704      3.552470 
1 1 1 7  7  16 o 512.601 3.3302 2623.45  23.853  507.311 4.2903 517.891 5.0944 -10.57996      6.660324 
1 1 1 7  7  18 f 419.999 3.1647 1778.37  18.125  430.906 3.6978 409.093 5.1369 21.81308       6.329400 
1 1 1 7  7  20 o 350.608 2.7869 1231.44  13.448  352.461 3.3742 348.755 4.4364 3.705750       5.573803 
1 1 1 7  7  22 o 432.850 2.6993 1878.31  16.293  437.320 3.4192 428.380 4.1778 8.939911       5.398603 
1 1 1 7  7  24 o 279.376 1.9749 781.479  7.7922  284.430 2.6996 274.322 2.8832 10.10825       3.949775 
1 1 1 7  7  26 o 54.633  1.3832 29.578   1.0485  56.851  2.1326 52.416  1.7623 4.434334       2.766485 
1 1 1 7  7  28 o 288.253 2.0424 831.419  8.2000  288.105 2.5850 288.402 3.1628 -0.2976685     4.084815 
1 1 1 7  7  30 o 81.045  1.4606 65.538   1.6663  83.001  2.1562 79.089  1.9709 3.911835       2.921278 
1 1 1 7  7  32 o 197.483 1.6315 388.872  4.4509  194.639 2.0170 200.327 2.5649 -5.688568      3.262949 
1 1 1 7  7  34 o 134.960 1.6258 183.952  3.0326  140.256 1.9758 129.665 2.5824 10.59143       3.251544 
1 1 1 7  7  36 o 247.047 1.9093 611.585  6.4892  247.070 2.3133 247.024 3.0382 0.4571533E-01  3.818684 
1 1 1 7  7  38 o 80.193  1.9396 64.455   2.1802  80.428  2.9430 79.959  2.5271 0.4692993      3.879140 
1 1 1 7  7  40 o 31.900  4.4098 10.850   1.8614  29.192  7.4811 34.607  4.6710 -5.414804      8.819567 
1 1 1 7  7  42 f 39.559  4.2013 17.342   1.9998  33.731  7.5496 45.387  3.6888 -11.65642      8.402565 
1 1 1 7  7  44 o 49.912  3.2291 25.148   2.2362  52.424  4.9556 47.400  4.1411 5.023891       6.458114 
1 1 1 7  7  46 o 22.034  5.7554 4.6721   2.2980  23.991  8.8090 20.077  7.4093 3.913464       11.51070 
1 1 1 7  7  48 o 23.896  5.2203 6.2186   2.3753  17.376  7.7665 30.416  6.9777 -13.03998      10.44061 
1 1 1 7  7  50 o 20.197  6.0995 3.1316   3.0784  19.850  9.1430 20.543  8.0761 -0.6930828     12.19907 
1 1 1 7  8  1  o 675.731 4.1087 4569.92  39.258  669.831 5.8695 681.631 5.7509 -11.80023      8.217318 
1 1 1 7  8  3  o 122.577 1.1363 150.656  1.9612  126.227 1.5093 118.926 1.6991 7.300766       2.272629 
1 1 1 7  8  5  o 203.721 1.5231 415.095  4.3877  205.223 2.1380 202.219 2.1697 3.003906       3.046116 
1 1 1 7  8  7  o 267.015 1.8041 713.039  6.8119  264.172 2.5569 269.858 2.5458 -5.685669      3.608203 
1 1 1 7  8  9  o 100.191 1.0804 100.282  1.5250  101.199 1.5974 99.183  1.4552 2.016296       2.160821 
1 1 1 7  8  11 o 913.548 5.1769 8348.25  66.840  921.369 7.4439 905.727 7.1964 15.64136       10.35375 
1 1 1 7  8  13 o 1089.05 6.6407 11840.27 100.702 1103.07 10.253 1075.02 8.4422 28.05164       13.28132 
1 1 1 7  8  15 o 379.882 2.5073 1446.17  13.384  373.853 3.7834 385.911 3.2912 -12.05841      5.014599 
1 1 1 7  8  17 o 115.021 1.4421 132.609  2.3349  117.707 1.9129 112.336 2.1585 5.371208       2.884111 
1 1 1 7  8  19 o 15.511  4.6403 0.1578   1.6377  12.836  5.5730 18.187  7.4209 -5.350975      9.280524 
1 1 1 7  8  21 o 28.866  5.0287 7.9173   1.8843  22.670  6.1930 35.062  7.9245 -12.39240      10.05743 
1 1 1 7  8  23 o 252.850 2.3999 637.130  8.3174  249.423 2.8933 256.278 3.8296 -6.855408      4.799712 
1 1 1 7  8  25 o 151.846 1.9790 229.862  3.8515  150.800 2.0291 152.892 3.3984 -2.091949      3.958077 
1 1 1 7  8  27 o 41.888  3.8265 19.227   1.4415  45.453  2.1592 38.324  7.3421 7.129738       7.653069 
1 1 1 7  8  29 o 158.356 1.3990 250.597  3.0791  157.490 1.7596 159.223 2.1755 -1.732025      2.798039 
1 1 1 7  8  31 o 196.460 1.6476 386.200  4.5250  196.225 2.1183 196.696 2.5242 -0.4709930     3.295289 
1 1 1 7  8  33 o 66.679  1.6564 44.475   1.5566  70.919  2.2794 62.438  2.4040 8.480167       3.312845 
1 1 1 7  8  35 o 66.900  1.7682 44.645   1.6663  69.826  2.5631 63.973  2.4366 5.852921       3.536437 
1 1 1 7  8  37 o 59.863  2.0446 35.802   1.7243  61.926  2.9833 57.799  2.7968 4.127171       4.089241 
1 1 1 7  8  39 o 112.679 1.6298 127.069  2.5928  116.124 2.3367 109.233 2.2727 6.890778       3.259585 
1 1 1 7  8  41 o 26.222  4.1257 6.8831   1.9233  15.035  6.7229 37.409  4.7841 -22.37436      8.251399 
1 1 1 7  8  43 o 17.651  5.0875 1.2536   1.9794  20.559  7.9244 14.744  6.3825 5.815582       10.17507 
1 1 1 7  8  45 o 21.725  5.2121 3.8809   1.9998  28.459  8.2468 14.991  6.3761 13.46830       10.42421 
1 1 1 7  8  47 o 17.535  5.2919 1.0567   2.1485  20.856  8.5299 14.214  6.2656 6.641396       10.58380 
1 1 1 7  8  49 o 20.395  5.6868 2.8417   2.4697  27.232  9.4843 13.559  6.2776 13.67335       11.37363 
1 1 1 7  9  0  o 308.912 3.0657 954.661  18.936  308.912 3.0657 ?       ?      0.000000       0.000000 
1 1 1 7  9  2  o 698.232 4.1564 4876.16  41.012  686.427 5.8033 710.037 5.9518 -23.61066      8.312765 
1 1 1 7  9  4  o 404.899 2.5914 1640.07  14.836  406.005 3.6260 403.793 3.7031 2.212219       5.182706 
1 1 1 7  9  6  o 206.411 1.5417 424.695  4.4846  213.766 2.2416 199.057 2.1172 14.70923       3.083403 
1 1 1 7  9  8  o 53.380  1.3057 28.577   0.9814  56.246  1.7449 50.514  1.9429 5.732174       2.611478 
1 1 1 7  9  10 o 268.711 1.8384 721.752  6.9780  266.338 2.5361 271.085 2.6621 -4.746704      3.676778 
1 1 1 7  9  12 o 1097.43 6.6398 12061.20 102.375 1093.48 9.9997 1101.38 8.7381 -7.894165      13.27964 
1 1 1 7  9  14 o 988.099 5.8233 9734.61  78.426  1000.04 9.3811 976.159 6.9019 23.88184       11.64653 
1 1 1 7  9  16 o 503.117 3.9565 2534.54  27.655  504.957 4.9505 501.277 6.1731 3.680328       7.912990 
1 1 1 7  9  18 o 73.507  2.0928 54.677   2.1111  76.807  2.4804 70.207  3.3715 6.600540       4.185645 
1 1 1 7  9  20 o 69.930  2.3257 51.371   2.0362  76.581  2.1862 63.279  4.1056 13.30175       4.651367 
1 1 1 7  9  22 o 376.385 3.0398 1420.49  15.675  378.919 3.6262 373.851 4.8799 5.067749       6.079657 
1 1 1 7  9  24 o 37.462  3.8336 13.298   1.9027  32.394  4.6337 42.530  6.1086 -10.13545      7.667166 
1 1 1 7  9  26 o 185.505 1.9230 340.668  4.7894  180.283 2.2096 190.727 3.1480 -10.44415      3.846090 
1 1 1 7  9  28 o 41.414  4.0895 16.083   2.2268  34.769  4.9813 48.058  6.4870 -13.28876      8.178954 
1 1 1 7  9  30 o 105.960 2.2674 109.052  3.0608  99.956  2.3681 111.963 3.8673 -12.00703      4.534704 
1 1 1 7  9  32 o 195.698 2.0046 381.749  4.6040  194.499 1.7513 196.898 3.6065 -2.398941      4.009199 
1 1 1 7  9  34 o 136.863 1.9022 191.341  3.0661  140.878 1.6392 132.848 3.4331 8.029572       3.804393 
1 1 1 7  9  36 o 189.350 2.0895 361.512  5.3290  192.580 2.3683 186.119 3.4431 6.460571       4.178970 
1 1 1 7  9  38 o 37.044  5.2488 14.679   2.5123  39.829  5.2182 34.259  9.1089 5.570580       10.49769 
1 1 1 7  9  40 o 50.861  4.0041 27.060   2.5365  53.482  3.7781 48.240  7.0610 5.242661       8.008240 
1 1 1 7  9  42 o 69.229  3.3435 46.897   3.0164  63.680  3.7171 74.778  5.5587 -11.09831      6.687012 
1 1 1 7  9  44 o 23.805  6.4055 4.9179   2.8250  20.469  7.9172 27.141  10.072 -6.671923      12.81104 
1 1 1 7  9  46 o 33.622  6.4648 13.368   3.0241  32.539  7.7329 34.705  10.362 -2.165775      12.92965 
1 1 1 7  9  48 f 19.269  6.0085 1.2680   3.1238  17.785  7.8714 20.753  9.0800 -2.967434      12.01690 
1 1 1 7  9  50 o 18.834  6.0635 1.5742   3.4111  18.390  7.8859 19.277  9.2129 -0.8871861     12.12707 
1 1 1 7  10 1  o 373.340 2.5367 1393.86  13.390  369.097 3.5663 377.583 3.6084 -8.485931      5.073359 
1 1 1 7  10 3  o 469.624 2.9370 2201.77  19.464  456.510 4.0595 482.739 4.2456 -26.22946      5.874045 
1 1 1 7  10 5  f 626.771 3.8319 3924.21  33.912  610.578 5.3234 642.964 5.5132 -32.38647      7.663755 
1 1 1 7  10 7  o 220.641 1.6377 486.888  5.1091  224.003 2.2938 217.279 2.3382 6.724396       3.275477 
1 1 1 7  10 9  o 496.443 3.0015 2465.11  21.072  494.135 4.2645 498.752 4.2250 -4.616791      6.003037 
1 1 1 7  10 11 o 292.241 1.9627 854.117  8.1113  293.792 2.7708 290.690 2.7805 3.101379       3.925309 
1 1 1 7  10 13 o 470.832 2.8220 2216.42  18.782  465.354 3.9451 476.311 4.0362 -10.95731      5.644025 
1 1 1 7  10 15 o 670.760 4.5765 4500.79  43.395  677.907 6.5405 663.613 6.4030 14.29358       9.152925 
1 1 1 7  10 17 o 121.868 1.9197 149.654  3.1299  124.288 2.1367 119.449 3.1899 4.839317       3.839434 
1 1 1 7  10 19 o 509.928 4.0316 2610.04  27.207  513.303 4.3977 506.552 6.7585 6.751282       8.063283 
1 1 1 7  10 21 o 741.751 5.3449 5525.48  53.568  746.127 6.1359 737.374 8.7533 8.753357       10.68972 
1 1 1 7  10 23 o 49.688  3.1064 24.257   2.0537  47.434  3.5296 51.941  5.1129 -4.507366      6.212845 
1 1 1 7  10 25 o 154.779 1.9038 236.740  3.8640  150.565 2.0706 158.992 3.1954 -8.427185      3.807606 
1 1 1 7  10 27 o 170.448 1.9509 288.765  4.4752  167.289 2.2432 173.607 3.1924 -6.317810      3.901730 
1 1 1 7  10 29 o 187.433 2.2486 351.718  5.7438  187.393 2.6495 187.473 3.6338 -0.8015442E-01 4.497160 
1 1 1 7  10 31 o 157.568 2.1710 246.923  4.5486  154.940 2.4220 160.196 3.6039 -5.255341      4.342088 
1 1 1 7  10 33 o 82.227  2.6494 68.835   2.8496  85.083  2.7820 79.371  4.5097 5.711510       5.298774 
1 1 1 7  10 35 o 75.328  2.9419 56.073   2.9882  71.879  3.4537 78.777  4.7635 -6.898888      5.883841 
1 1 1 7  10 37 o 72.288  3.0013 54.331   1.8652  74.641  1.6243 69.935  5.7786 4.705864       6.002504 
1 1 1 7  10 39 o 20.425  5.5374 2.8797   1.8113  18.531  5.8559 22.320  9.3999 -3.789015      11.07479 
1 1 1 7  10 41 o 26.244  5.5017 7.0104   1.9794  27.544  5.2199 24.944  9.6864 2.599850       11.00339 
1 1 1 7  10 43 o 33.924  5.6140 13.188   2.2221  38.119  4.0892 29.729  10.457 8.390314       11.22800 
1 1 1 7  10 45 o 33.044  5.7033 12.318   2.3990  34.509  5.1862 31.580  10.159 2.929005       11.40665 
1 1 1 7  10 47 o 15.864  5.1224 -1.7705  2.4632  15.536  6.6557 16.192  7.7884 -0.6554422     10.24484 
1 1 1 7  10 49 o 36.043  6.5787 18.053   3.0952  40.631  5.3994 31.455  11.998 9.175968       13.15740 
1 1 1 7  11 0  o 512.548 4.5514 2628.09  46.648  512.548 4.5514 ?       ?      0.000000       0.000000 
1 1 1 7  11 2  o 65.691  1.3563 43.213   1.2352  75.446  1.7600 55.937  2.0642 19.50978       2.712654 
1 1 1 7  11 4  o 476.031 2.9242 2266.03  19.681  471.807 4.0992 480.256 4.1713 -8.449310      5.848380 
1 1 1 7  11 6  o 67.970  1.6157 45.277   1.5246  60.879  2.1811 75.062  2.3843 -14.18334      3.231440 
1 1 1 7  11 8  f 425.119 2.6408 1807.54  15.876  425.180 3.7476 425.058 3.7215 0.1217041      5.281516 
1 1 1 7  11 10 o 426.888 2.5915 1822.56  15.645  428.557 3.6777 425.218 3.6522 3.339355       5.183059 
1 1 1 7  11 12 o 713.582 4.1417 5093.01  41.783  706.825 5.7992 720.339 5.9148 -13.51416      8.283409 
1 1 1 7  11 14 f 314.360 2.0843 988.366  9.2659  313.810 2.9436 314.911 2.9516 -1.101563      4.168506 
1 1 1 7  11 16 f 226.208 1.8733 515.803  5.8667  234.251 2.2920 218.165 2.9638 16.08556       3.746681 
1 1 1 7  11 18 o 235.117 2.1174 558.758  6.6761  241.881 2.3629 228.354 3.5142 13.52765       4.234740 
1 1 1 7  11 20 o 280.897 3.7353 783.422  10.876  278.409 2.6957 283.386 6.9673 -4.977142      7.470667 
1 1 1 7  11 22 o 291.196 2.5077 849.719  9.9424  292.515 2.9407 289.878 4.0629 2.637756       5.015473 
1 1 1 7  11 24 o 148.475 1.9893 219.635  3.8193  147.193 2.0788 149.757 3.3925 -2.564224      3.978698 
1 1 1 7  11 26 o 35.452  4.9342 13.683   2.1650  39.882  4.3427 31.022  8.8616 8.860096       9.868480 
1 1 1 7  11 28 o 67.232  2.9887 45.560   2.7497  68.583  3.5355 65.881  4.8197 2.701233       5.977403 
1 1 1 7  11 30 o 58.090  3.7359 34.728   2.8527  61.657  3.9326 54.523  6.3532 7.134521       7.471883 
1 1 1 7  11 32 o 193.509 2.8679 369.509  6.7481  188.666 2.6928 198.351 5.0645 -9.685394      5.735854 
1 1 1 7  11 34 o 272.271 2.6527 748.372  9.5605  276.126 2.8853 268.417 4.4522 7.708710       5.305418 
1 1 1 7  11 36 o 36.461  6.0410 14.512   3.0666  42.325  6.0017 30.596  10.486 11.72884       12.08192 
1 1 1 7  11 38 o 29.842  6.1667 7.9586   3.0699  19.562  8.1597 40.123  9.2483 -20.56087      12.33340 
1 1 1 7  11 40 o 54.708  4.8126 31.366   3.5415  58.132  5.3629 51.285  7.9927 6.847157       9.625132 
1 1 1 7  11 42 o 25.557  6.9303 4.0959   3.6430  18.971  8.4073 32.143  11.020 -13.17159      13.86053 
1 1 1 7  11 44 o 14.720  5.0628 -3.3238  1.9123  9.4317  4.5439 20.007  9.0488 -10.57557      10.12561 
1 1 1 7  11 46 o 23.914  5.9796 5.4400   2.1151  16.914  6.4247 30.913  10.087 -13.99926      11.95926 
1 1 1 7  11 48 f 36.320  6.4720 16.593   2.9095  33.403  6.6306 39.238  11.117 -5.835224      12.94393 
1 1 1 7  12 1  o 232.604 1.7454 539.682  5.7268  240.459 2.5210 224.750 2.4146 15.70926       3.490793 
1 1 1 7  12 3  o 348.576 2.3247 1214.87  11.454  346.060 3.2365 351.093 3.3380 -5.033020      4.649429 
1 1 1 7  12 5  o 101.799 2.4889 109.678  2.5017  95.556  4.7125 108.042 1.6030 -12.48606      4.977723 
1 1 1 7  12 7  o 350.591 2.2708 1229.33  11.257  351.110 3.1735 350.072 3.2488 1.038330       4.541564 
1 1 1 7  12 9  o 299.395 2.1408 896.220  9.0581  297.401 2.9701 301.390 3.0840 -3.989685      4.281647 
1 1 1 7  12 11 o 638.152 3.8827 4071.95  35.016  630.167 5.4052 646.137 5.5754 -15.97003      7.765449 
1 1 1 7  12 13 o 79.635  1.6713 65.109   1.8071  71.515  2.7447 87.755  1.9079 -16.24041      3.342685 
1 1 1 7  12 15 o 204.920 1.5439 419.954  4.4741  203.103 2.1887 206.737 2.1782 -3.634018      3.087892 
1 1 1 7  12 17 o 110.855 1.5591 122.556  2.1966  110.260 1.5708 111.449 2.6937 -1.188362      3.118226 
1 1 1 7  12 19 o 259.424 2.4020 674.037  8.4585  260.278 2.7948 258.570 3.9073 1.707977       4.803973 
1 1 1 7  12 21 o 293.033 2.7212 851.386  10.148  287.951 2.7668 298.114 4.6865 -10.16351      5.442316 
1 1 1 7  12 23 o 87.283  2.0559 75.162   2.3916  84.251  2.3298 90.314  3.3880 -6.062416      4.111745 
1 1 1 7  12 25 o 105.715 2.1217 109.380  2.8770  101.179 2.2253 110.252 3.6131 -9.073776      4.243416 
1 1 1 7  12 27 o 94.223  2.3550 86.969   2.8618  90.123  2.4983 98.323  3.9927 -8.200485      4.709946 
1 1 1 7  12 29 o 40.776  7.1198 17.507   4.0006  40.245  11.301 41.308  8.6629 -1.062725      14.23960 
1 1 1 7  12 31 o 20.130  6.1550 -0.1155  2.8580  17.023  7.2713 23.238  9.9330 -6.214746      12.31005 
1 1 1 7  12 33 o 50.759  4.9631 26.986   3.1196  53.352  4.7613 48.166  8.7098 5.185921       9.926227 
1 1 1 7  12 35 o 106.386 2.6051 114.641  3.6625  108.770 2.8131 104.001 4.3854 4.769157       5.210100 
1 1 1 7  12 37 f 84.172  2.7603 69.982   3.1895  78.449  3.4589 89.896  4.3028 -11.44709      5.520695 
1 1 1 7  12 39 o 23.708  6.2458 2.6858   3.2631  28.680  9.0319 18.737  8.6292 9.942383       12.49156 
1 1 1 7  12 41 o 21.446  6.1359 1.7190   3.0431  23.644  8.7133 19.249  8.6414 4.395382       12.27173 
1 1 1 7  12 43 o 26.113  6.8856 6.1123   3.5785  28.807  9.5005 23.419  9.9692 5.388407       13.77117 
1 1 1 7  12 45 o 26.194  7.1214 7.2232   3.6430  25.344  9.4095 27.044  10.692 -1.700104      14.24271 
1 1 1 7  12 47 o 18.209  6.0948 -3.8857  4.0212  17.309  8.0662 19.110  9.1391 -1.801079      12.18966 
1 1 1 7  12 49 o 23.769  7.7006 8.0427   5.9442  25.904  11.535 21.634  10.205 4.269472       15.40129 
1 1 1 7  13 0  o 63.802  2.3597 40.874   3.0021  63.802  2.3597 ?       ?      0.000000       0.000000 
1 1 1 7  13 2  o 408.543 2.6130 1669.35  15.097  410.606 3.6838 406.480 3.7070 4.126099       5.226090 
1 1 1 7  13 4  o 63.729  1.8349 40.753   1.6408  65.360  2.3849 62.098  2.7891 3.261818       3.669724 
1 1 1 7  13 6  o 194.231 1.5456 377.255  4.2384  194.424 2.2567 194.038 2.1125 0.3856049      3.091187 
1 1 1 7  13 8  o 257.263 1.8989 662.508  6.8931  260.529 2.5705 253.997 2.7957 6.531876       3.797850 
1 1 1 7  13 10 o 507.799 3.0708 2576.95  22.020  500.313 4.2349 515.285 4.4480 -14.97244      6.141565 
1 1 1 7  13 12 o 710.208 4.1530 5047.73  41.711  711.001 5.8544 709.414 5.8919 1.587280       8.305965 
1 1 1 7  13 14 o 351.713 2.2747 1236.22  11.301  345.955 3.1540 357.471 3.2785 -11.51669      4.549304 
1 1 1 7  13 16 o 524.938 3.3941 2760.45  25.081  529.376 4.5150 520.500 5.0689 8.875671       6.788137 
1 1 1 7  13 18 o 222.421 2.2436 497.020  6.0156  223.914 2.0369 220.927 3.9982 2.987106       4.487118 
1 1 1 7  13 20 o 223.726 2.3539 491.827  6.7599  215.865 2.4605 231.587 4.0136 -15.72214      4.707734 
1 1 1 7  13 22 o 83.011  2.2573 68.270   2.4427  81.251  2.4158 84.770  3.8139 -3.518318      4.514626 
1 1 1 7  13 24 o 26.883  5.7759 7.1588   2.2873  26.232  6.9359 27.534  9.2378 -1.302496      11.55175 
1 1 1 7  13 26 o 240.542 2.4316 578.788  7.9438  239.690 2.8422 241.393 3.9462 -1.702148      4.863169 
1 1 1 7  13 28 o 207.099 2.3378 427.661  6.5967  204.186 2.7709 210.012 3.7661 -5.825836      4.675639 
1 1 1 7  13 30 o 25.634  6.5695 3.1421   2.7446  15.010  6.6361 36.259  11.340 -21.24962      13.13892 
1 1 1 7  13 32 o 137.791 2.1376 189.554  4.0211  136.062 2.5459 139.521 3.4344 -3.459259      4.275140 
1 1 1 7  13 34 o 79.996  2.7009 64.426   2.9121  80.663  3.0776 79.328  4.4394 1.335594       5.401832 
1 1 1 7  13 36 o 36.356  5.9756 13.417   2.9030  29.655  7.8554 43.056  9.0070 -13.40109      11.95125 
1 1 1 7  13 38 o 18.132  5.7452 -2.1575  2.9845  16.752  7.5412 19.512  8.6694 -2.760042      11.49037 
1 1 1 7  13 40 o 29.027  6.8809 8.3360   3.3710  24.371  9.1974 33.683  10.237 -9.312054      13.76175 
1 1 1 7  13 42 o 41.755  6.7526 20.520   3.9225  48.421  6.9153 35.089  11.600 13.33281       13.50520 
1 1 1 7  13 44 o 18.997  6.1476 -3.1835  3.7608  19.260  8.5440 18.734  8.8416 0.5262432      12.29525 
1 1 1 7  13 46 o 22.386  6.8678 3.7464   3.8610  20.723  8.8387 24.049  10.514 -3.325516      13.73566 
1 1 1 7  13 48 o 16.534  5.7319 -8.9900  4.4557  17.506  8.5539 15.561  7.6321 1.944433       11.46375 
1 1 1 7  14 1  o 369.838 2.4833 1365.27  12.946  361.904 3.3819 377.772 3.6372 -15.86841      4.966531 
1 1 1 7  14 3  o 589.295 3.5974 3464.42  29.875  572.659 4.9097 605.932 5.2594 -33.27319      7.194849 
1 1 1 7  14 5  o 274.642 1.9399 754.386  7.5340  271.805 2.7612 277.480 2.7256 -5.675415      3.879852 
1 1 1 7  14 7  f 319.099 2.1682 1017.77  9.7787  313.700 3.0366 324.499 3.0957 -10.79858      4.336376 
1 1 1 7  14 9  o 866.315 5.0069 7510.91  61.318  861.659 6.9815 870.970 7.1787 -9.310913      10.01375 
1 1 1 7  14 11 o 861.515 4.9805 7431.15  60.676  865.890 6.9941 857.140 7.0924 8.749023       9.960926 
1 1 1 7  14 13 o 626.682 3.6901 3928.99  32.692  632.726 5.2739 620.639 5.1626 12.08661       7.380167 
1 1 1 7  14 15 o 201.412 1.5393 404.232  4.3687  209.722 2.2298 193.102 2.1227 16.62007       3.078592 
1 1 1 7  14 17 o 332.962 2.3801 1107.48  10.717  331.508 2.7516 334.416 3.8843 -2.908630      4.760154 
1 1 1 7  14 19 o 199.656 1.9295 397.145  4.9038  198.115 1.9524 201.196 3.3286 -3.081116      3.858929 
1 1 1 7  14 21 o 239.504 2.3154 578.484  7.5593  245.627 2.7030 233.380 3.7601 12.24719       4.630799 
1 1 1 7  14 23 o 260.918 2.5417 680.082  8.8260  259.561 2.8248 262.276 4.2263 -2.714508      5.083412 
1 1 1 7  14 25 o 359.816 3.1052 1297.32  14.886  359.519 3.4525 360.112 5.1622 -0.5928345     6.210348 
1 1 1 7  14 27 o 179.437 2.2077 319.909  5.1631  176.458 2.3556 182.415 3.7346 -5.957108      4.415424 
1 1 1 7  14 29 o 64.331  3.5105 40.718   2.8438  62.032  3.5366 66.629  6.0653 -4.597191      7.021080 
1 1 1 7  14 31 o 91.343  2.4638 84.042   3.1017  92.892  2.9832 89.793  3.9220 3.098976       4.927615 
1 1 1 7  14 33 o 166.845 2.2767 278.629  5.1702  165.884 2.6798 167.806 3.6812 -1.921692      4.553349 
1 1 1 7  14 35 o 83.444  3.1366 71.188   3.4453  86.436  3.3396 80.451  5.3103 5.985100       6.273135 
1 1 1 7  14 37 f 109.577 2.7614 120.668  3.9688  108.768 2.9724 110.387 4.6547 -1.619705      5.522794 
1 1 1 7  14 39 o 68.710  4.1300 48.131   3.7348  68.419  4.4721 68.999  6.9447 -0.5800171     8.260041 
1 1 1 7  14 41 f 35.046  6.6513 13.570   3.3941  29.272  9.3084 40.821  9.5033 -11.54901      13.30263 
1 1 1 7  14 43 o 22.950  7.0747 1.0099   4.2922  20.001  9.0767 25.900  10.854 -5.899374      14.14935 
1 1 1 7  14 45 o 22.927  7.2221 0.9183   4.8998  23.860  9.7009 21.993  10.702 1.867064       14.44421 
1 1 1 7  14 47 o 15.800  5.5142 -11.6791 3.9798  11.987  6.0531 19.613  9.2187 -7.625709      11.02830 
1 1 1 7  15 0  o 143.145 2.2598 205.065  6.4660  143.145 2.2598 ?       ?      0.000000       0.000000 
1 1 1 7  15 2  o 324.567 2.1950 1053.47  10.070  325.669 3.1555 323.465 3.0520 2.203583       4.389959 
1 1 1 7  15 4  o 879.174 5.1543 7736.85  64.081  881.336 7.2318 877.013 7.3464 4.322998       10.30870 
1 1 1 7  15 6  o 394.994 2.5990 1557.53  14.471  403.289 3.8079 386.698 3.5383 16.59140       5.198035 
1 1 1 7  15 8  o 179.586 1.4553 322.598  3.6940  178.734 2.0995 180.438 2.0157 -1.704361      2.910540 
1 1 1 7  15 10 o 377.304 2.4790 1424.27  13.212  376.062 3.6077 378.546 3.4010 -2.484772      4.958027 
1 1 1 7  15 12 o 443.337 3.0332 1963.25  18.884  448.883 4.5529 437.791 4.0089 11.09259       6.066325 
1 1 1 7  15 14 o 347.281 2.4387 1207.56  11.917  349.709 3.2357 344.854 3.6496 4.854736       4.877399 
1 1 1 7  15 16 o 290.810 2.1467 846.028  8.7541  290.730 2.7999 290.890 3.2549 -0.1599426     4.293468 
1 1 1 7  15 18 o 252.854 1.9464 634.800  6.6757  247.201 2.2887 258.508 3.1489 -11.30772      3.892826 
1 1 1 7  15 20 o 212.418 2.1524 456.757  5.6442  216.615 2.0256 208.222 3.7985 8.392944       4.304829 
1 1 1 7  15 22 f 150.404 2.1872 227.861  4.4373  153.207 2.4870 147.600 3.5985 5.606949       4.374303 
1 1 1 7  15 24 o 63.614  3.3617 39.720   2.9317  58.884  4.2159 68.344  5.2374 -9.459808      6.723386 
1 1 1 7  15 26 o 98.632  2.3923 95.088   3.1366  92.819  2.7367 104.446 3.9245 -11.62656      4.784526 
1 1 1 7  15 28 o 22.283  5.2357 2.2159   2.5058  28.159  6.9937 16.408  7.7935 11.75089       10.47137 
1 1 1 7  15 30 o 216.237 2.9058 467.813  8.8454  223.434 4.2634 209.039 3.9494 14.39552       5.811527 
1 1 1 7  15 32 o 111.557 2.5756 125.544  3.7775  112.935 2.7605 110.178 4.3491 2.756424       5.151214 
1 1 1 7  15 34 o 50.851  5.2554 27.053   3.3362  52.591  5.1595 49.112  9.1574 3.479107       10.51089 
1 1 1 7  15 36 o 78.454  3.1490 63.820   3.2489  83.597  3.3149 73.311  5.3550 10.28627       6.298003 
1 1 1 7  15 40 o 51.438  4.6268 27.136   3.3060  46.002  6.2749 56.873  6.8012 -10.87095      9.253682 
1 1 1 7  15 42 o 21.615  6.2970 1.8181   3.2867  24.653  9.3501 18.578  8.4372 6.075363       12.59406 
1 1 1 7  15 44 o 20.974  6.5686 0.9203   3.8672  20.713  9.1905 21.235  9.3873 -0.5224819     13.13720 
1 1 1 7  15 46 o 41.071  7.0282 24.036   4.0591  45.294  8.4715 36.849  11.217 8.445190       14.05646 
1 1 1 7  16 1  o 707.970 4.1515 5015.44  41.561  713.488 5.8987 702.452 5.8435 11.03571       8.303100 
1 1 1 7  16 3  o 263.809 2.0127 693.252  7.4412  257.062 2.6501 270.556 3.0301 -13.49329      4.025451 
1 1 1 7  16 5  o 333.799 2.1697 1111.04  10.204  323.349 2.9638 344.249 3.1696 -20.90051      4.339459 
1 1 1 7  16 7  f 331.723 2.2535 1100.03  10.539  329.604 3.0477 333.843 3.3203 -4.238403      4.506999 
1 1 1 7  16 9  o 222.268 1.7443 493.149  5.4694  216.842 2.3962 227.695 2.5355 -10.85281      3.488618 
1 1 1 7  16 11 o 490.043 3.5622 2403.81  24.668  490.084 4.9241 490.003 5.1487 0.8044434E-01  7.124332 
1 1 1 7  16 13 o 202.341 1.6407 410.703  4.6699  208.092 2.1640 196.590 2.4668 11.50177       3.281471 
1 1 1 7  16 15 o 340.371 2.4972 1157.31  11.946  344.690 3.7350 336.053 3.3156 8.636871       4.994400 
1 1 1 7  16 17 o 256.970 1.9304 659.229  6.8100  255.033 2.3316 258.908 3.0772 -3.874573      3.860767 
1 1 1 7  16 19 o 214.795 1.6994 459.228  4.9526  211.546 1.9922 218.044 2.7536 -6.498077      3.398747 
1 1 1 7  16 21 o 168.585 1.4828 285.023  3.5132  172.064 1.9461 165.106 2.2379 6.958557       2.965678 
1 1 1 7  16 23 o 225.597 2.3593 514.026  7.3367  233.500 2.8433 217.694 3.7658 15.80583       4.718699 
1 1 1 7  16 25 o 30.843  6.7332 9.2490   2.9626  30.414  7.2960 31.273  11.319 -0.8592224     13.46645 
1 1 1 7  16 27 o 57.432  3.6480 33.055   2.7203  57.191  3.8359 57.674  6.2063 -0.4823112     7.296078 
1 1 1 7  16 29 o 88.617  3.4068 76.536   3.6028  84.645  3.1374 92.588  6.0484 -7.942253      6.813666 
1 1 1 7  16 31 o 84.444  3.0975 70.646   3.3254  82.209  3.1602 86.678  5.3284 -4.469009      6.195061 
1 1 1 7  16 33 o 62.386  3.0809 38.794   2.6532  59.953  3.8519 64.820  4.8096 -4.867168      6.161868 
1 1 1 7  16 35 o 73.919  2.8876 55.173   2.9743  74.256  3.6541 73.583  4.4722 0.6736526      5.775207 
1 1 1 7  16 37 o 50.949  5.6806 28.257   3.5087  54.962  5.1470 46.937  10.128 8.025494       11.36111 
1 1 1 7  16 39 o 48.899  5.5242 26.290   3.3617  52.454  5.2830 45.344  9.7035 7.110115       11.04848 
1 1 1 7  16 41 o 24.686  6.9907 2.4966   3.6641  16.718  7.6759 32.653  11.686 -15.93496      13.98145 
1 1 1 7  16 43 o 53.710  5.2661 31.690   3.9374  49.033  7.0645 58.387  7.8115 -9.353951      10.53218 
1 1 1 7  16 45 o 17.556  5.7993 -3.5588  3.6591  18.359  8.2897 16.753  8.1122 1.606197       11.59851 
1 1 1 7  16 47 o 24.068  6.9766 7.4557   4.3704  28.712  10.421 19.425  9.2793 9.287632       13.95325 
1 1 1 7  17 0  o 218.591 2.3776 478.023  10.392  218.591 2.3776 ?       ?      0.000000       0.000000 
1 1 1 7  17 2  o 553.006 3.3549 3058.69  26.228  544.415 4.7190 561.596 4.7699 -17.18079      6.709779 
1 1 1 7  17 4  o 107.383 1.4066 115.240  2.1345  110.259 1.9897 104.507 1.9887 5.751991       2.813177 
1 1 1 7  17 6  o 428.866 2.8686 1842.67  17.296  433.483 3.7824 424.249 4.3138 9.234161       5.737167 
1 1 1 7  17 8  o 356.207 2.3150 1267.65  11.633  350.372 3.1637 362.042 3.3806 -11.67084      4.630047 
1 1 1 7  17 10 o 402.933 2.7486 1626.85  15.572  398.084 4.1332 407.781 3.6244 -9.697296      5.497228 
1 1 1 7  17 12 o 168.396 1.5778 283.748  3.7517  175.201 2.1748 161.591 2.2866 13.60942       3.155667 
1 1 1 7  17 14 o 263.996 1.9563 697.143  7.3021  268.193 2.7554 259.798 2.7777 8.394928       3.912543 
1 1 1 7  17 16 o 117.752 1.5370 136.001  2.4090  112.123 1.7507 123.382 2.5267 -11.25961      3.073964 
1 1 1 7  17 18 o 177.616 1.6005 316.052  4.0122  183.142 2.1751 172.090 2.3483 11.05246       3.200907 
1 1 1 7  17 20 f 165.982 1.5769 276.374  3.6149  167.783 1.9269 164.181 2.4966 3.601929       3.153738 
1 1 1 7  17 22 o 135.508 1.5683 181.841  2.8496  131.840 1.7954 139.176 2.5718 -7.336487      3.136519 
1 1 1 7  17 24 o 26.642  6.4752 5.9853   2.8677  21.126  8.0551 32.158  10.141 -11.03174      12.95049 
1 1 1 7  17 26 o 146.050 2.1909 213.979  4.2111  146.595 2.3629 145.505 3.6900 1.089478       4.381712 
1 1 1 7  17 28 o 44.103  4.8274 19.539   2.9477  42.926  6.0521 45.280  7.5225 -2.354080      9.654865 
1 1 1 7  17 30 f 86.322  2.7347 75.325   3.2411  88.473  3.2627 84.171  4.3897 4.302437       5.469446 
1 1 1 7  17 32 f 68.913  3.5428 47.868   3.2231  68.872  3.8560 68.953  5.9446 -0.8112335E-01 7.085674 
1 1 1 7  17 34 o 25.639  6.1336 4.3373   3.2231  31.623  8.2949 19.654  9.0378 11.96898       12.26729 
1 1 1 7  17 36 o 33.155  5.4692 11.519   3.2089  45.828  5.9209 20.483  9.1973 25.34490       10.93836 
1 1 1 7  17 38 o 51.569  5.8814 27.843   3.8055  49.720  6.0380 53.418  10.095 -3.698353      11.76282 
1 1 1 7  17 40 f 21.076  6.6372 -2.6306  3.7953  15.048  7.2177 27.105  11.141 -12.05644      13.27448 
1 1 1 7  17 42 o 52.967  5.9581 31.255   4.2194  42.160  8.7796 63.774  8.0569 -21.61363      11.91611 
1 1 1 7  17 44 o 23.614  6.7834 4.8825   3.8338  27.579  10.167 19.648  8.9823 7.931097       13.56677 
1 1 1 7  17 46 o 22.823  7.0424 6.8969   4.2156  21.960  9.4103 23.686  10.480 -1.725952      14.08481 
1 1 1 7  18 1  o 198.687 1.6034 393.779  4.4765  202.694 2.3925 194.680 2.1352 8.013580       3.206729 
1 1 1 7  18 3  o 343.340 2.6294 1175.28  12.394  347.609 4.1853 339.070 3.1840 8.538300       5.258769 
1 1 1 7  18 5  o 214.406 1.9099 462.512  5.7268  206.042 2.9421 222.770 2.4361 -16.72806      3.819702 
1 1 1 7  18 7  o 277.386 2.4140 775.430  9.1735  270.117 3.8899 284.656 2.8597 -14.53928      4.827955 
1 1 1 7  18 9  o 343.730 2.5952 1182.19  12.611  344.214 3.7234 343.247 3.6162 0.9673157      5.190446 
1 1 1 7  18 11 o 223.344 1.8000 498.259  5.6748  218.682 2.4816 228.006 2.6080 -9.324600      3.600019 
1 1 1 7  18 13 o 196.287 1.6014 385.368  4.4446  195.258 2.2471 197.316 2.2822 -2.057236      3.202788 
1 1 1 7  18 15 o 124.203 1.4971 154.252  2.6189  123.718 2.0066 124.689 2.2224 -0.9716034     2.994264 
1 1 1 7  18 17 f 125.972 1.6493 158.689  2.8672  125.750 2.0201 126.194 2.6077 -0.4434586     3.298583 
1 1 1 7  18 19 o 150.314 1.6040 225.862  3.3060  149.828 1.9266 150.801 2.5650 -0.9734192     3.207982 
1 1 1 7  18 21 o 294.947 2.2314 860.803  8.8904  285.230 2.6110 304.664 3.6193 -19.43390      4.462868 
1 1 1 7  18 23 o 273.975 2.0985 745.005  7.7630  267.246 2.4411 280.703 3.4141 -13.45706      4.197051 
1 1 1 7  18 25 o 67.742  2.6171 45.323   2.4553  63.506  3.3636 71.978  4.0104 -8.472183      5.234221 
1 1 1 7  18 27 f 40.652  5.0956 17.066   2.7865  41.434  5.9914 39.870  8.2440 1.564224       10.19118 
1 1 1 7  18 29 f 29.003  6.5652 7.9847   3.1234  31.869  7.6863 26.138  10.646 5.731359       13.13035 
1 1 1 7  18 31 o 44.696  5.7094 22.594   2.9209  51.133  4.4034 38.260  10.536 12.87300       11.41881 
1 1 1 7  18 33 o 160.959 2.6434 262.957  5.5543  163.976 2.7814 157.942 4.4960 6.034531       5.286804 
1 1 1 7  18 35 o 41.817  6.3618 18.790   3.4476  43.070  6.4340 40.564  10.977 2.506626       12.72350 
1 1 1 7  18 37 o 38.400  6.1259 17.258   3.6437  51.010  5.9985 25.790  10.683 25.22022       12.25182 
1 1 1 7  18 39 o 35.759  7.2621 14.042   3.8128  27.083  9.4010 44.435  11.071 -17.35228      14.52417 
1 1 1 7  18 41 o 20.840  6.6609 -1.6033  4.1800  20.946  9.1230 20.733  9.7078 0.2129269      13.32182 
1 1 1 7  18 43 o 20.417  6.5483 0.5146   3.9225  18.607  8.4171 22.226  10.034 -3.619339      13.09662 
1 1 1 7  18 45 o 29.623  7.7262 14.017   4.4756  32.258  9.7428 26.989  11.994 5.269005       15.45244 
1 1 1 7  19 0  o 186.499 2.2605 348.010  8.4289  186.499 2.2605 ?       ?      0.000000       0.000000 
1 1 1 7  19 2  o 582.250 3.5897 3393.54  29.555  587.894 5.0869 576.606 5.0663 11.28809       7.179375 
1 1 1 7  19 4  o 113.882 1.6313 129.735  2.6265  113.451 2.3408 114.313 2.2727 -0.8624191     3.262587 
1 1 1 7  19 6  o 443.699 2.8656 1968.67  17.963  436.763 3.9787 450.635 4.1252 -13.87228      5.731283 
1 1 1 7  19 8  o 452.755 2.9716 2051.15  19.003  450.288 4.0900 455.221 4.3120 -4.933044      5.943132 
1 1 1 7  19 10 o 286.798 2.0784 822.549  8.4190  284.348 2.8628 289.249 3.0139 -4.901306      4.156789 
1 1 1 7  19 12 o 169.083 1.6216 286.192  3.8543  170.009 2.1394 168.158 2.4376 1.851227       3.243268 
1 1 1 7  19 14 o 265.181 1.9397 703.641  7.2743  264.767 2.7474 265.595 2.7389 -0.8272705     3.879393 
1 1 1 7  19 16 o 272.690 2.1679 742.676  8.0986  270.756 2.6014 274.624 3.4687 -3.867981      4.335766 
1 1 1 7  19 18 o 100.146 1.7012 98.483   2.1966  96.390  1.7968 103.902 2.8893 -7.512733      3.402472 
1 1 1 7  19 20 o 46.902  2.5567 21.463   1.6439  42.547  3.2566 51.256  3.9422 -8.708992      5.113362 
1 1 1 7  19 22 o 106.204 1.5674 112.165  2.2779  103.987 1.8876 108.420 2.5027 -4.432991      3.134745 
1 1 1 7  19 24 o 130.166 1.4179 169.678  2.5774  130.684 1.8113 129.647 2.1820 1.037094       2.835784 
1 1 1 7  19 26 o 26.112  5.4565 5.8360   1.0976  24.006  2.6454 28.217  10.588 -4.210779      10.91302 
1 1 1 7  19 28 o 81.230  2.9824 65.733   2.9626  80.177  2.8082 82.282  5.2623 -2.104523      5.964721 
1 1 1 7  19 30 o 121.378 2.6721 148.470  4.0994  122.127 2.6472 120.628 4.6424 1.499077       5.344132 
1 1 1 7  19 32 o 26.513  6.8914 6.0478   3.3475  26.183  9.0502 26.844  10.395 -0.6607151     13.78274 
1 1 1 7  19 34 o 61.002  4.5951 37.813   3.6914  59.721  5.0269 62.284  7.6934 -2.563393      9.190134 
1 1 1 7  19 36 o 30.270  7.2400 9.3580   3.6218  27.104  9.4800 33.436  10.945 -6.331511      14.47998 
1 1 1 7  19 38 o 41.744  6.4290 21.441   3.6992  52.238  5.8575 31.251  11.446 20.98672       12.85800 
1 1 1 7  19 40 o 66.317  4.5188 48.132   3.9618  70.732  4.8157 61.902  7.6476 8.829746       9.037517 
1 1 1 7  19 42 o 52.305  4.9180 31.366   3.6142  51.054  6.5586 53.556  7.3302 -2.501949      9.836055 
1 1 1 7  19 44 o 18.611  6.0716 -1.2119  3.7795  17.481  8.2712 19.741  8.8906 -2.259811      12.14312 
1 1 1 7  20 1  o 62.527  2.1219 39.032   1.8723  59.620  3.0018 65.434  2.9998 -5.814053      4.243799 
1 1 1 7  20 3  o 12.919  4.0585 -3.9797  1.7300  9.4310  4.7013 16.407  6.6169 -6.976252      8.117057 
1 1 1 7  20 5  o 233.763 2.0525 549.554  6.6811  240.132 2.5725 227.394 3.1990 12.73779       4.105009 
1 1 1 7  20 7  o 120.184 1.5792 144.353  2.6818  122.873 2.2553 117.495 2.2111 5.377579       3.158382 
1 1 1 7  20 9  o 237.843 1.7767 565.976  5.9740  237.465 2.5527 238.221 2.4719 -0.7555695     3.553456 
1 1 1 7  20 11 o 371.828 2.5644 1384.09  13.473  372.249 3.5361 371.407 3.7151 0.8413391      5.128887 
1 1 1 7  20 13 o 209.103 1.6795 437.444  4.9643  213.726 2.3501 204.479 2.3999 9.246811       3.358901 
1 1 1 7  20 15 o 298.372 2.3736 892.355  9.9543  301.035 3.1260 295.710 3.5728 5.325317       4.747269 
1 1 1 7  20 17 o 194.507 1.8446 377.014  4.9643  191.071 2.2963 197.943 2.8875 -6.871353      3.689253 
1 1 1 7  20 19 o 335.012 2.4217 1122.61  11.053  333.493 2.8564 336.531 3.9114 -3.037537      4.843315 
1 1 1 7  20 21 o 79.666  1.9202 62.965   2.1338  75.945  2.5086 83.388  2.9078 -7.442467      3.840381 
1 1 1 7  20 23 o 113.528 1.5130 128.265  2.3904  110.488 1.9333 116.568 2.3278 -6.079353      3.025926 
1 1 1 7  20 25 o 88.614  1.6279 78.582   1.9794  88.435  1.9585 88.792  2.6008 -0.3570786     3.255704 
1 1 1 7  20 27 o 88.883  2.4731 75.811   2.0994  85.054  1.6291 92.712  4.6703 -7.657394      4.946275 
1 1 1 7  20 29 o 81.849  3.4949 67.382   3.7522  81.410  3.7585 82.288  5.8934 -0.8779984     6.989872 
1 1 1 7  20 31 o 35.319  6.5989 13.251   3.1698  34.646  7.5420 35.993  10.831 -1.347240      13.19779 
1 1 1 7  20 33 f 19.638  6.3128 -3.8255  3.5355  15.120  7.1497 24.157  10.406 -9.037358      12.62552 
1 1 1 7  20 35 o 26.983  7.0266 5.0500   3.5355  19.021  8.2370 34.945  11.386 -15.92435      14.05325 
1 1 1 7  20 37 o 60.438  4.1367 38.209   3.5207  62.917  5.5056 57.960  6.1757 4.956898       8.273471 
1 1 1 7  20 39 o 31.622  7.2859 12.005   3.7206  28.828  9.8399 34.417  10.748 -5.588167      14.57184 
1 1 1 7  20 41 o 23.510  7.1282 4.9571   4.0595  21.364  9.0910 25.655  10.982 -4.291077      14.25646 
1 1 1 7  20 43 o 25.601  7.4727 8.5390   4.1980  21.595  9.2182 29.606  11.764 -8.010731      14.94541 
1 1 1 7  21 0  f 107.477 2.3122 115.696  4.9650  107.477 2.3122 ?       ?      0.000000       0.000000 
1 1 1 7  21 2  o 101.613 1.8285 104.141  2.5864  96.979  2.8575 106.246 2.2822 -9.267227      3.656987 
1 1 1 7  21 4  o 89.520  1.6934 80.363   2.1361  93.905  2.2747 85.134  2.5091 8.770790       3.386729 
1 1 1 7  21 6  o 88.560  1.8778 78.725   2.3378  94.818  2.4964 82.302  2.8059 12.51531       3.755648 
1 1 1 7  21 8  o 96.114  1.6990 92.393   2.3078  95.365  2.3610 96.864  2.4437 -1.499374      3.397905 
1 1 1 7  21 10 f 285.882 2.0565 817.922  8.3118  286.238 2.8640 285.526 2.9521 0.7127380      4.113081 
1 1 1 7  21 12 o 302.667 2.1517 916.549  9.2039  310.986 3.0260 294.347 3.0597 16.63916       4.303313 
1 1 1 7  21 14 o 36.872  3.5407 14.144   1.7320  42.801  4.0466 30.943  5.8114 11.85794       7.081437 
1 1 1 7  21 16 o 180.244 1.5980 327.962  3.9657  186.599 1.9182 173.890 2.5564 12.70885       3.196092 
1 1 1 7  21 18 o 69.062  2.3677 47.263   2.2573  66.196  2.9653 71.929  3.6921 -5.733284      4.735451 
1 1 1 7  21 20 o 136.867 1.7587 188.153  3.3475  139.137 2.1991 134.598 2.7451 4.539764       3.517367 
1 1 1 7  21 22 o 91.733  1.8289 84.943   2.3093  94.673  2.1953 88.794  2.9258 5.879372       3.657851 
1 1 1 7  21 24 o 235.429 1.9506 557.747  6.3801  240.279 2.4267 230.579 3.0546 9.700851       3.901266 
1 1 1 7  21 26 o 174.455 1.8079 306.127  4.2783  176.654 2.0916 172.255 2.9494 4.399155       3.615731 
1 1 1 7  21 28 o 82.682  2.7791 63.561   2.0684  76.844  1.7280 88.520  5.2828 -11.67693      5.558180 
1 1 1 7  21 30 o 43.499  5.8076 19.508   3.2753  41.718  6.3657 45.279  9.7154 -3.560959      11.61513 
1 1 1 7  21 32 o 61.239  5.0189 39.243   3.9250  63.417  5.0070 59.061  8.6998 4.356213       10.03770 
1 1 1 7  21 34 o 45.362  6.7671 23.013   3.9417  49.129  6.4631 41.596  11.891 7.533455       13.53420 
1 1 1 7  21 36 o 67.556  4.0906 48.287   3.6025  70.727  4.2446 64.385  6.9940 6.341637       8.181241 
1 1 1 7  21 38 o 41.900  6.8572 21.551   4.0017  48.059  7.0876 35.741  11.741 12.31788       13.71441 
1 1 1 7  21 40 o 19.093  6.4159 -4.3206  4.2714  15.652  7.5470 22.535  10.378 -6.882421      12.83177 
1 1 1 7  21 42 o 21.563  6.8884 2.5344   4.4176  21.275  9.3029 21.851  10.162 -0.5761261     13.77683 
1 1 1 7  22 1  o 76.865  2.4117 60.576   2.5284  84.718  2.7940 69.011  3.9319 15.70740       4.823481 
1 1 1 7  22 3  o 328.679 2.2477 1080.04  10.434  334.878 3.2411 322.481 3.1150 12.39658       4.495344 
1 1 1 7  22 5  o 381.319 2.6093 1456.73  14.058  390.328 3.5941 372.310 3.7836 18.01865       5.218563 
1 1 1 7  22 7  o 140.192 1.6309 196.632  3.2320  140.273 2.3460 140.111 2.2663 0.1621857      3.261822 
1 1 1 7  22 9  o 247.256 1.9736 611.988  6.8989  251.598 2.7535 242.914 2.8282 8.684097       3.947261 
1 1 1 7  22 11 o 136.612 1.6440 186.525  3.1711  142.504 2.3092 130.721 2.3407 11.78339       3.288091 
1 1 1 7  22 13 o 24.764  5.0412 5.7600   1.9942  18.018  6.9696 31.510  7.2854 -13.49219      10.08234 
1 1 1 7  22 15 o 30.210  4.4611 10.149   1.8772  38.238  4.3785 22.183  7.7739 16.05500       8.922122 
1 1 1 7  22 17 o 75.151  2.3229 56.809   2.3574  76.093  2.6555 74.210  3.8120 1.883247       4.645751 
1 1 1 7  22 19 o 90.748  2.1519 82.765   2.6348  91.632  2.4572 89.864  3.5334 1.768471       4.303807 
1 1 1 7  22 21 o 120.199 1.7098 144.622  2.8450  120.026 2.1164 120.371 2.6859 -0.3449554     3.419500 
1 1 1 7  22 23 o 77.778  2.1872 60.989   2.3163  79.181  2.5519 76.374  3.5528 2.806549       4.374303 
1 1 1 7  22 25 o 77.301  2.2368 60.739   2.2769  79.843  2.3861 74.759  3.7840 5.083923       4.473506 
1 1 1 7  22 27 o 34.384  3.7155 12.725   1.6043  38.641  3.5857 30.126  6.5087 8.515491       7.431091 
1 1 1 7  22 29 o 60.639  4.3136 37.308   1.8816  60.914  1.8955 60.364  8.4163 0.5500984      8.627130 
1 1 1 7  22 31 o 76.388  4.0155 60.222   3.9943  78.668  4.1831 74.108  6.8555 4.560066       8.030937 
1 1 1 7  22 33 o 107.590 3.8487 118.088  5.8358  112.683 5.5333 102.497 5.3509 10.18563       7.697396 
1 1 1 7  22 35 o 21.000  6.4184 0.7079   3.3617  19.922  8.3242 22.078  9.7720 -2.155842      12.83687 
1 1 1 7  22 37 o 64.510  3.7994 43.761   3.4601  64.621  5.1817 64.399  5.5581 0.2214508      7.598874 
1 1 1 7  22 39 o 32.754  7.8321 15.384   4.2790  33.478  10.059 32.030  12.008 1.448250       15.66418 
1 1 1 7  22 41 o 33.045  7.9476 17.042   4.2984  29.565  10.165 36.525  12.220 -6.960693      15.89521 
1 1 1 7  22 43 o 27.233  8.1615 13.217   5.6315  29.174  11.574 25.293  11.510 3.880856       16.32297 
1 1 1 7  23 0  o 306.140 3.3765 938.150  20.668  306.140 3.3765 ?       ?      0.000000       0.000000 
1 1 1 7  23 2  o 190.246 2.0101 364.029  5.2577  193.742 2.4137 186.751 3.2151 6.991287       4.020262 
1 1 1 7  23 4  o 263.637 2.1425 693.448  7.8729  268.095 3.2947 259.180 2.7398 8.915161       4.285089 
1 1 1 7  23 6  o 432.887 2.8247 1877.94  17.290  434.062 3.9502 431.713 4.0386 2.349060       5.649309 
1 1 1 7  23 8  o 327.655 2.3425 1074.79  10.846  329.713 3.3794 325.598 3.2448 4.115906       4.684988 
1 1 1 7  23 10 o 116.032 1.6538 134.615  2.7085  117.372 2.4102 114.692 2.2651 2.679886       3.307547 
1 1 1 7  23 12 o 210.419 1.8557 443.599  5.5060  212.567 2.4987 208.270 2.7443 4.296234       3.711390 
1 1 1 7  23 14 o 135.401 1.8950 184.063  3.5896  137.842 2.4292 132.960 2.9092 4.881302       3.790045 
1 1 1 7  23 16 o 66.267  2.2272 43.902   2.0527  65.669  2.8132 66.864  3.4537 -1.194618      4.454486 
1 1 1 7  23 18 o 65.385  2.7825 43.284   2.3482  66.708  2.8560 64.062  4.7763 2.645393       5.565054 
1 1 1 7  23 20 f 110.948 2.0072 124.030  3.0908  113.883 2.4840 108.013 3.1535 5.869576       4.014359 
1 1 1 7  23 22 o 114.095 1.7827 130.462  2.8225  114.296 2.2225 113.896 2.7879 0.4001617      3.565364 
1 1 1 7  23 24 o 45.006  3.4673 20.631   2.1338  46.841  4.0673 43.172  5.6165 3.669373       6.934567 
1 1 1 7  23 26 o 46.674  3.1881 22.509   1.9612  49.585  3.3765 43.763  5.4087 5.821381       6.376105 
1 1 1 7  23 28 o 37.462  3.1519 13.937   1.6424  33.284  4.3363 41.639  4.5754 -8.355370      6.303808 
1 1 1 7  23 30 o 77.661  3.4385 59.567   2.1199  76.364  1.7388 78.959  6.6536 -2.595459      6.877078 
1 1 1 7  23 32 o 54.105  5.1979 29.922   3.7522  51.200  5.9762 57.011  8.5063 -5.811382      10.39578 
1 1 1 7  23 34 o 66.641  4.5463 47.742   4.0388  71.255  4.9423 62.028  7.6322 9.227692       9.092661 
1 1 1 7  23 36 o 62.992  4.3189 42.206   3.8025  62.030  5.5843 63.954  6.5898 -1.923714      8.637726 
1 1 1 7  23 38 o 19.939  6.0148 1.1295   3.2471  22.331  8.7368 17.547  8.2692 4.783665       12.02955 
1 1 1 7  23 40 o 24.818  7.2600 6.6976   4.6137  28.119  10.396 21.518  10.137 6.601259       14.51995 
1 1 1 7  23 42 o 23.229  7.3663 6.6917   4.7466  21.609  9.4121 24.850  11.334 -3.240829      14.73270 
1 1 1 7  24 1  f 125.355 1.6442 156.980  2.9083  122.619 2.2600 128.091 2.3888 -5.472153      3.288418 
1 1 1 7  24 3  o 52.369  3.1541 27.707   2.2963  54.528  3.9174 50.209  4.9443 4.318554       6.308116 
1 1 1 7  24 5  o 109.925 1.7174 121.420  2.6544  114.943 2.2602 104.908 2.5865 10.03487       3.434882 
1 1 1 7  24 7  o 42.983  3.5672 18.701   2.0973  35.069  5.5973 50.897  4.4237 -15.82833      7.134346 
1 1 1 7  24 9  o 35.773  4.3155 13.365   2.0719  39.699  4.9444 31.848  7.0744 7.851419       8.631042 
1 1 1 7  24 11 o 14.606  4.7429 -3.3958  2.2501  14.640  6.6815 14.573  6.7333 0.6725121E-01  9.485754 
1 1 1 7  24 13 o 57.910  2.6289 33.816   2.1345  61.104  3.4013 54.717  4.0094 6.387562       5.257828 
1 1 1 7  24 15 o 122.638 1.7093 152.092  2.8809  127.501 2.0376 117.775 2.7451 9.725716       3.418667 
1 1 1 7  24 17 o 28.905  5.4354 8.5692   2.2362  25.239  7.3394 32.571  8.0192 -7.332003      10.87080 
1 1 1 7  24 19 o 49.844  3.4131 25.518   2.2169  52.220  3.5378 47.468  5.8379 4.752567       6.826224 
1 1 1 7  24 21 o 74.520  2.7789 57.175   2.6926  78.800  2.8573 70.241  4.7671 8.559265       5.557872 
1 1 1 7  24 23 o 124.574 1.8440 154.922  3.0895  123.216 2.1084 125.931 3.0257 -2.714287      3.687902 
1 1 1 7  24 25 o 139.753 1.7433 196.316  3.3436  140.943 2.0890 138.563 2.7916 2.379364       3.486670 
1 1 1 7  24 27 o 94.017  1.8957 88.599   2.3966  93.540  2.1602 94.493  3.1159 -0.9530258     3.791481 
1 1 1 7  24 29 o 56.405  2.2914 32.274   1.7431  57.742  2.5996 55.067  3.7742 2.675205       4.582859 
1 1 1 7  24 31 o 37.717  5.9460 15.241   1.5489  38.934  2.3725 36.499  11.653 2.435001       11.89204 
1 1 1 7  24 33 o 55.251  5.3627 31.351   3.9290  48.963  6.3672 61.539  8.6309 -12.57650      10.72535 
1 1 1 7  24 35 o 35.060  7.2807 15.259   4.2386  41.715  8.3218 28.405  11.949 13.31001       14.56141 
1 1 1 7  24 37 o 22.708  6.7454 4.1770   3.7795  25.109  9.9382 20.306  9.1234 4.803459       13.49086 
1 1 1 7  24 39 o 24.091  6.5393 5.7434   3.5757  30.759  10.248 17.423  8.1252 13.33617       13.07857 
1 1 1 7  24 41 o 24.143  7.7540 7.7442   5.7524  21.919  10.202 26.368  11.680 -4.449123      15.50804 
1 1 1 7  25 0  o 77.651  3.0586 60.619   4.7340  77.651  3.0586 ?       ?      0.000000       0.000000 
1 1 1 7  25 2  o 50.276  2.9664 25.526   2.0768  44.366  4.5545 56.186  3.8018 -11.82043      5.932726 
1 1 1 7  25 4  o 70.351  2.5242 49.579   2.5110  69.573  3.5682 71.129  3.5713 -1.556145      5.048382 
1 1 1 7  25 6  o 118.668 1.8811 140.714  3.1144  117.561 2.4063 119.774 2.8921 -2.212730      3.762218 
1 1 1 7  25 8  o 54.766  3.1541 30.252   2.4193  52.544  4.8344 56.988  4.0522 -4.443710      6.308126 
1 1 1 7  25 10 f 30.320  5.0720 9.7267   2.1615  26.990  7.8644 33.649  6.4072 -6.658669      10.14399 
1 1 1 7  25 12 o 18.607  5.1545 1.8214   2.0166  17.572  7.4817 19.642  7.0922 -2.069685      10.30899 
1 1 1 7  25 14 o 57.642  3.0190 33.268   2.1643  57.408  2.9164 57.875  5.2869 -0.4672127     6.037922 
1 1 1 7  25 16 o 52.734  3.4745 27.404   2.4261  50.184  3.9114 55.283  5.7437 -5.098503      6.949022 
1 1 1 7  25 18 o 29.591  5.0670 9.3601   2.1383  34.184  5.2355 24.997  8.6767 9.186708       10.13391 
1 1 1 7  25 20 o 23.909  5.5297 5.2055   2.1925  26.081  6.4476 21.737  8.9854 4.343662       11.05937 
1 1 1 7  25 22 o 86.407  2.3832 74.428   2.7931  84.474  2.8021 88.341  3.8558 -3.866631      4.766397 
1 1 1 7  25 24 o 138.452 1.9469 193.190  3.6638  140.202 2.2648 136.701 3.1674 3.500900       3.893826 
1 1 1 7  25 26 o 145.492 1.8534 211.649  3.6843  143.373 2.2147 147.611 2.9725 -4.237534      3.706797 
1 1 1 7  25 28 o 26.347  5.5902 7.1677   2.1790  23.710  7.1780 28.985  8.5718 -5.275183      11.18035 
1 1 1 7  25 30 o 48.849  2.7436 24.248   1.8403  48.956  3.3019 48.742  4.3825 0.2142754      5.487154 
1 1 1 7  25 32 f 32.127  5.9778 10.815   1.1275  32.864  1.9324 31.391  11.798 1.472721       11.95562 
1 1 1 7  25 34 o 27.458  7.4166 7.9695   4.0695  28.744  10.137 26.172  10.829 2.571829       14.83316 
1 1 1 7  25 36 o 23.114  7.2193 2.8800   4.1767  17.327  8.0182 28.902  12.008 -11.57436      14.43860 
1 1 1 7  25 38 o 21.153  6.6564 0.4546   4.4373  23.974  9.8682 18.331  8.9359 5.643301       13.31287 
1 1 1 7  25 40 o 15.127  5.2786 -10.3179 3.9956  13.893  6.9091 16.361  7.9824 -2.467623      10.55722 
1 1 1 7  26 1  o 118.766 1.7541 141.003  2.9398  124.740 2.4530 112.791 2.5081 11.94823       3.508189 
1 1 1 7  26 3  o 176.064 1.7707 308.496  4.2957  179.938 2.7914 172.190 2.1793 7.748077       3.541348 
1 1 1 7  26 5  o 165.928 1.6728 275.037  3.9122  162.389 2.2753 169.467 2.4528 -7.077881      3.345656 
1 1 1 7  26 7  o 139.217 2.0811 194.585  4.0355  137.517 3.2326 140.917 2.6220 -3.399841      4.162297 
1 1 1 7  26 9  o 172.558 1.7742 297.998  4.3268  174.610 2.5459 170.507 2.4717 4.103394       3.548379 
1 1 1 7  26 11 o 68.108  2.5169 45.988   2.3753  64.747  3.2100 71.468  3.8775 -6.720337      5.033751 
1 1 1 7  26 13 o 56.033  3.1925 31.741   2.5084  58.722  4.1292 53.344  4.8702 5.378311       6.385053 
1 1 1 7  26 15 o 189.285 1.9643 359.398  5.1672  190.091 2.4600 188.479 3.0631 1.612839       3.928636 
1 1 1 7  26 17 o 116.611 2.0564 136.525  3.1868  117.134 2.2672 116.087 3.4315 1.047005       4.112834 
1 1 1 7  26 19 o 163.750 1.9585 269.391  4.4557  165.207 2.4462 162.293 3.0593 2.914032       3.916999 
1 1 1 7  26 21 o 156.906 1.9777 248.576  4.1800  159.702 2.2413 154.110 3.2592 5.591537       3.955452 
1 1 1 7  26 23 o 90.667  2.3993 84.704   2.7369  94.814  2.3138 86.520  4.2038 8.293999       4.798519 
1 1 1 7  26 25 o 26.038  5.1145 6.5103   2.3966  33.730  6.2244 18.346  8.1172 15.38405       10.22903 
1 1 1 7  26 27 o 52.437  3.3946 28.234   2.3772  53.861  3.7516 51.013  5.6586 2.847805       6.789228 
1 1 1 7  26 29 o 38.794  3.9800 15.129   2.1194  35.010  5.1120 42.577  6.1017 -7.567360      7.960079 
1 1 1 7  26 31 o 51.416  2.6989 26.747   1.9357  49.292  3.5137 53.540  4.0975 -4.248699      5.397780 
1 1 1 7  26 33 o 32.452  7.7660 12.655   3.9132  28.573  9.3262 36.332  12.420 -7.759504      15.53191 
1 1 1 7  26 35 o 29.394  7.1257 11.208   4.1506  35.167  9.4726 23.621  10.648 11.54571       14.25132 
1 1 1 7  26 37 o 28.685  7.1837 11.949   3.9581  32.588  9.5115 24.781  10.768 7.807518       14.36733 
1 1 1 7  27 0  o 95.278  2.8535 91.102   5.4268  95.278  2.8535 ?       ?      0.000000       0.000000 
1 1 1 7  27 2  o 160.118 1.8162 257.388  4.0957  155.442 2.7113 164.794 2.4173 -9.351547      3.632388 
1 1 1 7  27 4  o 203.909 1.7518 416.380  5.0514  202.056 2.4858 205.762 2.4691 -3.705627      3.503654 
1 1 1 7  27 6  o 135.398 1.8256 183.469  3.4811  134.281 2.4506 136.515 2.7066 -2.233688      3.651175 
1 1 1 7  27 8  o 23.594  5.6012 4.9314   2.2508  19.167  7.4074 28.020  8.4038 -8.852985      11.20238 
1 1 1 7  27 10 o 118.581 2.0725 139.764  3.3860  114.875 2.5631 122.287 3.2575 -7.412033      4.144985 
1 1 1 7  27 12 o 56.074  2.8929 31.696   2.2801  60.086  3.8433 52.062  4.3248 8.023987       5.785772 
1 1 1 7  27 14 o 111.788 2.0526 125.700  3.1456  113.217 2.4476 110.358 3.2957 2.858521       4.105228 
1 1 1 7  27 16 o 160.083 1.9323 258.059  4.2807  163.156 2.3708 157.010 3.0519 6.146072       3.864529 
1 1 1 7  27 18 o 104.540 2.2105 110.855  3.1456  108.104 2.5634 100.976 3.6020 7.128220       4.421013 
1 1 1 7  27 20 o 104.714 2.0470 110.460  2.9621  106.035 2.5045 103.393 3.2386 2.641937       4.094056 
1 1 1 7  27 22 o 53.318  4.2100 29.537   2.8591  55.316  4.1747 51.319  7.3122 3.996803       8.420043 
1 1 1 7  27 24 o 37.639  5.3614 15.079   2.7122  39.323  6.0195 35.954  8.8738 3.368736       10.72278 
1 1 1 7  27 26 o 20.788  5.9085 2.5910   2.4286  17.943  7.1253 23.633  9.4270 -5.690552      11.81690 
1 1 1 7  27 28 o 26.203  6.3409 6.8807   2.6592  22.868  7.7923 29.537  10.005 -6.669085      12.68176 
1 1 1 7  27 30 o 51.103  3.2498 27.238   2.2862  53.415  3.8910 48.792  5.2062 4.622162       6.499563 
1 1 1 7  27 32 o 27.732  5.0328 8.5609   1.9794  22.911  6.9528 32.553  7.2782 -9.641851      10.06552 
1 1 1 7  27 34 o 41.762  6.8285 23.116   3.7740  46.090  6.5135 37.435  12.004 8.654991       13.65695 
1 1 1 7  27 36 o 23.815  7.0791 4.3688   4.0782  16.524  7.7961 31.106  11.818 -14.58191      14.15811 
1 1 1 7  28 1  o 34.153  5.0934 12.364   2.3371  31.081  8.6202 37.225  5.4281 -6.144276      10.18687 
1 1 1 7  28 3  o 92.821  2.3380 86.438   3.0424  92.706  3.5497 92.936  3.0439 -0.2299423     4.676054 
1 1 1 7  28 5  o 31.084  4.7324 10.150   2.3656  43.337  5.3287 18.832  7.8223 24.50544       9.464822 
1 1 1 7  28 7  o 111.240 1.9279 124.035  3.0285  110.818 2.8132 111.662 2.6368 -0.8439407     3.855787 
1 1 1 7  28 9  o 165.011 1.9052 272.780  4.4424  164.285 2.6356 165.737 2.7519 -1.452118      3.810406 
1 1 1 7  28 11 o 140.759 1.8992 198.173  3.7707  143.963 2.7670 137.556 2.6021 6.407364       3.798386 
1 1 1 7  28 13 o 29.535  5.6564 9.2844   2.4562  32.827  6.5633 26.244  9.2141 6.582691       11.31270 
1 1 1 7  28 15 o 37.746  5.8368 14.740   2.8757  37.227  6.2032 38.265  9.8891 -1.037327      11.67366 
1 1 1 7  28 17 o 105.137 2.0085 111.503  2.8889  106.870 2.3769 103.405 3.2382 3.465164       4.016953 
1 1 1 7  28 19 o 120.722 2.2496 146.608  3.4026  120.869 2.1972 120.575 3.9262 0.2939606      4.499204 
1 1 1 7  28 21 f 62.512  4.2831 39.058   3.1936  60.679  3.9009 64.346  7.6263 -3.667065      8.566112 
1 1 1 7  28 23 o 34.493  5.2953 12.805   2.5031  32.864  7.3832 36.121  7.5926 -3.257286      10.59054 
1 1 1 7  28 25 o 39.538  5.5338 18.243   2.8123  47.303  5.0039 31.773  9.8717 15.52978       11.06754 
1 1 1 7  28 27 o 56.506  3.9724 32.760   3.0063  54.452  4.5591 58.561  6.5066 -4.109371      7.944862 
1 1 1 7  28 29 o 23.467  6.0745 4.5712   2.5815  16.812  7.1255 30.123  9.8399 -13.31145      12.14894 
1 1 1 7  28 31 o 15.491  4.9550 -1.3856  2.3093  14.996  6.7137 15.987  7.2892 -0.9908781     9.909934 
1 1 1 7  28 33 o 25.661  4.8892 7.8131   1.7961  25.349  6.3777 25.974  7.4124 -0.6255455     9.778479 
1 1 1 7  28 35 o 38.435  8.4952 25.056   5.1318  39.688  11.168 37.181  12.804 2.506973       16.99041 
1 1 1 7  29 0  o 221.744 3.1517 492.688  13.971  221.744 3.1517 ?       ?      0.000000       0.000000 
1 1 1 7  29 2  o 153.029 1.9074 234.649  4.1277  151.503 2.7055 154.555 2.6895 -3.051453      3.814880 
1 1 1 7  29 4  o 243.849 2.1175 595.641  7.2939  247.722 3.0530 239.977 2.9350 7.744278       4.234977 
1 1 1 7  29 6  o 266.192 2.0946 710.540  7.8719  266.378 2.8608 266.005 3.0602 0.3730774      4.189173 
1 1 1 7  29 8  o 161.693 1.8598 262.471  4.2384  164.510 2.4916 158.877 2.7617 5.632324       3.719550 
1 1 1 7  29 10 o 42.897  4.4949 19.394   2.5610  47.931  5.0588 37.862  7.4314 10.06926       8.989862 
1 1 1 7  29 12 o 80.839  2.7154 65.022   2.9913  77.969  3.2580 83.709  4.3450 -5.739891      5.430770 
1 1 1 7  29 14 f 80.240  2.9409 62.379   3.0463  73.861  3.2047 86.619  4.9321 -12.75795      5.881836 
1 1 1 7  29 16 o 82.259  2.7994 67.283   3.1880  77.112  3.5936 87.405  4.2933 -10.29297      5.598836 
1 1 1 7  29 18 o 69.296  2.9867 46.872   2.8074  61.725  3.7412 76.867  4.6566 -15.14220      5.973337 
1 1 1 7  29 20 f 51.167  4.5403 27.224   2.7949  52.569  4.0634 49.764  8.1208 2.805149       9.080698 
1 1 1 7  29 22 o 28.964  6.3617 8.8199   2.8809  25.147  8.5935 32.781  9.3828 -7.633949      12.72341 
1 1 1 7  29 24 o 78.936  3.0092 61.650   3.1534  73.519  3.4552 84.352  4.9278 -10.83346      6.018439 
1 1 1 7  29 26 o 27.322  6.1628 8.2422   2.6692  27.640  8.0667 27.004  9.3193 0.6356258      12.32564 
1 1 1 7  29 28 o 19.954  5.9759 1.5899   2.7469  16.259  7.1569 23.649  9.5722 -7.390108      11.95190 
1 1 1 7  29 30 o 21.210  6.1229 3.9997   2.7203  18.619  7.5474 23.800  9.6434 -5.180922      12.24576 
1 1 1 7  29 32 o 21.827  5.7219 5.2752   2.3538  18.076  7.3386 25.579  8.7809 -7.502804      11.44372 
1 1 1 7  29 34 o 16.035  4.7064 1.3856   1.7815  12.351  5.6354 19.720  7.5395 -7.368784      9.412900 
1 1 1 7  30 1  o 50.546  4.1849 26.441   2.8127  53.507  4.5317 47.584  7.0370 5.922825       8.369864 
1 1 1 7  30 3  o 71.659  2.8859 51.319   2.8923  79.793  3.9794 63.525  4.1806 16.26800       5.771715 
1 1 1 7  30 5  o 55.535  3.5566 31.237   2.6545  55.951  4.0242 55.119  5.8655 0.8313560      7.113231 
1 1 1 7  30 7  o 92.961  2.5690 86.931   3.3771  92.096  3.6359 93.825  3.6304 -1.729332      5.138000 
1 1 1 7  30 9  o 157.290 1.8431 247.861  4.0860  154.806 2.4987 159.774 2.7100 -4.968292      3.686123 
1 1 1 7  30 11 o 94.294  2.6323 89.514   3.4525  93.943  3.3186 94.646  4.0869 -0.7027512     5.264555 
1 1 1 7  30 13 o 105.964 2.4818 113.595  3.5052  107.202 2.7465 104.725 4.1346 2.476768       4.963677 
1 1 1 7  30 15 o 93.867  2.5075 89.155   3.2411  95.282  3.0295 92.452  3.9965 2.830063       5.014997 
1 1 1 7  30 17 f 94.659  2.4597 88.844   3.1022  90.948  2.7931 98.370  4.0495 -7.422203      4.919346 
1 1 1 7  30 19 o 85.010  2.9691 72.469   3.1859  83.563  2.9708 86.458  5.1417 -2.894753      5.938247 
1 1 1 7  30 21 o 49.018  4.2676 25.048   2.7035  49.896  4.3968 48.140  7.3155 1.756195       8.535123 
1 1 1 7  30 23 o 35.801  6.2789 14.538   3.0703  35.452  7.5525 36.151  10.033 -0.6987000     12.55778 
1 1 1 7  30 25 o 23.122  6.5050 4.2302   3.0241  19.659  8.0072 26.585  10.254 -6.926773      13.01000 
1 1 1 7  30 27 o 61.775  3.6449 39.769   2.9369  60.782  3.8943 62.767  6.1626 -1.984894      7.289897 
1 1 1 7  30 29 o 18.987  5.7983 1.7939   2.6688  16.168  7.0910 21.806  9.1760 -5.637903      11.59666 
1 1 1 7  30 31 o 20.548  5.6202 3.4165   2.6909  24.648  8.2027 16.448  7.6851 8.200413       11.24031 
1 1 1 7  30 33 o 17.999  5.2152 2.0032   2.4167  21.071  7.6393 14.927  7.1017 6.143731       10.43042 
1 1 1 7  31 0  o 93.552  3.9025 88.330   7.2743  93.552  3.9025 ?       ?      0.000000       0.000000 
1 1 1 7  31 2  o 68.912  2.6683 47.787   2.5864  69.672  3.9774 68.151  3.5579 1.521240       5.336529 
1 1 1 7  31 4  o 56.734  3.8528 32.881   3.0326  58.194  4.7619 55.274  6.0580 2.920692       7.705501 
1 1 1 7  31 6  o 49.574  3.6697 24.977   2.5688  51.487  5.0458 47.661  5.3297 3.825592       7.339387 
1 1 1 7  31 8  o 102.256 2.2365 105.246  3.2330  103.922 3.1110 100.591 3.2140 3.331047       4.473055 
1 1 1 7  31 10 o 64.697  3.5247 42.656   3.1831  65.808  4.4742 63.586  5.4476 2.221630       7.049469 
1 1 1 7  31 12 o 59.043  3.1767 35.009   2.5351  57.715  3.7011 60.371  5.1640 -2.656055      6.353314 
1 1 1 7  31 14 o 84.831  3.0689 72.340   3.4141  83.611  3.3143 86.050  5.1660 -2.439323      6.137803 
1 1 1 7  31 16 o 85.973  2.8255 72.122   3.1234  79.903  3.0346 92.042  4.7670 -12.13916      5.650939 
1 1 1 7  31 18 o 58.655  3.8397 35.177   2.8618  58.094  3.8757 59.215  6.6297 -1.121311      7.679450 
1 1 1 7  31 20 o 33.490  6.0124 13.000   3.0010  40.319  5.8708 26.662  10.494 13.65710       12.02486 
1 1 1 7  31 22 o 19.843  5.8916 1.1715   2.5679  14.800  6.6232 24.885  9.7456 -10.08499      11.78321 
1 1 1 7  31 24 o 18.792  5.7438 0.2239   2.7865  15.563  7.1047 22.021  9.0270 -6.458634      11.48751 
1 1 1 7  31 26 o 38.056  6.2676 17.901   3.2231  40.267  6.5952 35.846  10.660 4.420933       12.53522 
1 1 1 7  31 28 o 25.064  6.4785 6.8454   2.7316  18.402  7.3926 31.726  10.641 -13.32423      12.95709 
1 1 1 7  31 30 o 25.631  6.4338 8.7108   2.8311  24.506  8.2027 26.756  9.9143 -2.249962      12.86768 
1 1 1 7  31 32 f 18.790  5.9344 1.5144   3.0918  18.395  7.6369 19.186  9.0855 -0.7906246     11.86881 
1 1 1 7  32 1  o 169.357 2.1724 288.941  5.1088  168.309 3.3958 170.404 2.7104 -2.094971      4.344853 
1 1 1 7  32 3  o 105.043 2.2027 111.256  3.2555  106.996 2.9137 103.090 3.3041 3.905945       4.405309 
1 1 1 7  32 5  f 24.524  6.4211 5.0647   2.9505  26.722  9.5437 22.326  8.5930 4.395737       12.84220 
1 1 1 7  32 7  o 53.091  4.3437 28.815   3.2555  52.059  5.9884 54.123  6.2935 -2.063568      8.687305 
1 1 1 7  32 9  o 61.195  3.5188 38.113   3.0285  65.836  4.7353 56.554  5.2063 9.282642       7.037662 
1 1 1 7  32 11 o 21.977  6.3751 2.3031   3.0010  20.841  8.0249 23.112  9.9080 -2.271368      12.75020 
1 1 1 7  32 13 o 65.822  3.3369 43.097   2.9201  62.081  3.8128 69.563  5.4775 -7.481647      6.673875 
1 1 1 7  32 15 o 55.408  4.1474 31.155   3.1880  49.357  5.6145 61.459  6.1058 -12.10228      8.294785 
1 1 1 7  32 17 f 24.231  6.4733 4.5506   2.8920  18.253  7.6111 30.209  10.473 -11.95567      12.94651 
1 1 1 7  32 19 o 44.207  5.6644 21.858   3.3218  47.400  6.2118 41.015  9.4739 6.384502       11.32875 
1 1 1 7  32 21 o 40.179  5.5602 17.019   2.9695  30.061  7.8061 50.297  7.9200 -20.23602      11.12034 
1 1 1 7  32 23 o 20.698  6.0482 2.6260   2.8305  20.682  7.8648 20.713  9.1906 -0.3164101E-01 12.09640 
1 1 1 7  32 25 o 43.599  6.0298 24.681   3.3013  51.441  5.2748 35.756  10.845 15.68490       12.05962 
1 1 1 7  32 27 o 26.137  5.9420 8.6484   2.8809  32.162  8.0812 20.112  8.7134 12.05053       11.88398 
1 1 1 7  32 29 o 21.525  6.3302 5.0070   2.9979  16.624  7.3595 26.426  10.302 -9.801844      12.66046 
1 1 1 7  33 0  o 172.087 3.0214 297.437  10.392  172.087 3.0214 ?       ?      0.000000       0.000000 
1 1 1 7  33 2  o 129.407 2.0848 168.620  3.8025  129.803 2.8020 129.011 3.0877 0.7920074      4.169606 
1 1 1 7  33 4  o 25.587  6.3111 5.4061   3.0555  31.403  9.3911 19.770  8.4337 11.63241       12.62224 
1 1 1 7  33 6  o 17.782  5.6252 -2.2368  2.9398  18.649  8.1161 16.916  7.7909 1.733095       11.25035 
1 1 1 7  33 8  o 51.272  4.2482 27.228   3.0587  55.351  5.6323 47.194  6.3612 8.157032       8.496333 
1 1 1 7  33 10 o 72.843  3.7930 52.825   3.4744  68.757  3.8624 76.928  6.5291 -8.170692      7.585997 
1 1 1 7  33 12 o 67.570  3.4140 46.862   3.1103  68.268  3.8901 66.872  5.6116 1.396324       6.828090 
1 1 1 7  33 14 o 21.089  6.2674 0.3620   2.9209  14.002  6.5381 28.177  10.695 -14.17421      12.53477 
1 1 1 7  33 16 o 56.001  3.8582 31.971   2.9509  52.019  4.7722 59.982  6.0637 -7.962757      7.716383 
1 1 1 7  33 18 o 58.707  3.9872 34.955   3.1085  53.016  4.6825 64.397  6.4548 -11.38118      7.974360 
1 1 1 7  33 20 o 28.291  6.6236 9.3932   3.0416  29.048  8.1925 27.535  10.410 1.512930       13.24724 
1 1 1 7  33 22 o 21.159  6.5202 2.6714   3.3476  19.735  8.0176 22.583  10.284 -2.847374      13.04043 
1 1 1 7  33 24 o 15.277  5.1202 -5.6294  2.9980  15.492  6.9999 15.063  7.4745 0.4285660      10.24044 
1 1 1 7  33 26 o 21.530  6.3976 2.9850   3.6350  23.953  8.9559 19.107  9.1383 4.845211       12.79518 
1 1 1 7  33 28 o 27.548  6.5891 10.325   3.1449  19.107  8.0257 35.989  10.452 -16.88225      13.17816 
1 1 1 7  34 1  o 40.046  5.8324 18.243   3.2165  48.277  6.2185 31.816  9.8690 16.46040       11.66479 
1 1 1 7  34 3  o 79.169  3.1696 63.781   3.5390  82.430  4.5525 75.907  4.4113 6.522675       6.339108 
1 1 1 7  34 5  o 111.009 2.2988 124.489  3.6025  112.053 3.3490 109.965 3.1500 2.087479       4.597638 
1 1 1 7  34 7  f 79.256  3.2378 64.609   3.6025  76.338  4.9158 82.174  4.2154 -5.835831      6.475657 
1 1 1 7  34 9  o 39.637  6.0962 18.006   2.7895  42.877  4.7126 36.397  11.245 6.480145       12.19243 
1 1 1 7  34 11 o 109.460 2.7262 120.591  4.0182  105.775 3.1657 113.145 4.4392 -7.370003      5.452304 
1 1 1 7  34 13 o 109.216 2.4064 121.441  3.5658  109.309 2.7992 109.123 3.9150 0.1860886      4.812814 
1 1 1 7  34 15 o 75.299  3.5628 59.065   3.6451  74.548  4.1820 76.051  5.7694 -1.503014      7.125632 
1 1 1 7  34 17 o 59.172  4.6864 36.986   3.2827  57.706  4.2019 60.639  8.3782 -2.932621      9.372890 
1 1 1 7  34 19 o 73.042  3.4621 56.272   3.4863  68.677  4.3713 77.406  5.3700 -8.728737      6.924257 
1 1 1 7  34 21 o 88.844  2.9550 81.106   3.4185  84.681  3.2043 93.007  4.9658 -8.326332      5.909912 
1 1 1 7  34 23 o 21.967  6.5364 4.4094   3.0751  16.729  7.3512 27.204  10.810 -10.47491      13.07279 
1 1 1 7  34 25 o 17.726  5.7487 0.8215   3.0470  16.230  7.2594 19.223  8.9157 -2.992414      11.49734 
1 1 1 7  35 0  o 12.920  8.8125 -2.5402  6.6969  12.920  8.8125 ?       ?      0.000000       0.000000 
1 1 1 7  35 2  o 112.404 2.6156 128.661  4.1559  114.995 3.6649 109.814 3.7327 5.181313       5.231105 
1 1 1 7  35 4  o 135.365 2.0820 185.236  3.9701  136.911 3.0782 133.818 2.8043 3.093277       4.164064 
1 1 1 7  35 6  o 59.151  4.2851 36.938   3.5757  62.362  5.9249 55.940  6.1923 6.421974       8.570239 
1 1 1 7  35 8  o 33.616  6.7064 13.227   3.1557  33.803  7.5382 33.428  11.094 0.3757019      13.41288 
1 1 1 7  35 10 o 27.489  7.1864 7.7957   3.4026  22.552  8.5516 32.427  11.552 -9.875772      14.37271 
1 1 1 7  35 12 o 30.235  6.9659 10.204   3.3362  23.038  8.6694 37.431  10.906 -14.39305      13.93173 
1 1 1 7  35 14 f 22.082  6.1015 3.8548   2.8580  23.615  7.8969 20.549  9.3032 3.066540       12.20291 
1 1 1 7  35 16 o 30.581  7.2116 12.432   3.3870  29.880  8.2396 31.282  11.838 -1.401190      14.42313 
1 1 1 7  35 18 o 20.472  5.9207 1.4087   3.1522  23.413  8.2748 17.530  8.4705 5.883156       11.84150 
1 1 1 7  35 20 o 25.780  6.7431 7.8021   3.2582  18.140  7.8789 33.420  10.945 -15.27930      13.48614 
1 1 1 7  35 22 o 16.589  5.1139 -0.8624  2.5679  18.760  7.3732 14.418  7.0884 4.341788       10.22785 
1 1 1 7  36 1  o 32.026  6.9452 12.438   3.6335  37.146  9.4542 26.906  10.176 10.23943       13.89033 
1 1 1 7  36 3  o 80.524  3.1680 67.325   3.6025  82.046  4.5738 79.002  4.3846 3.043381       6.335957 
1 1 1 7  36 5  o 41.948  5.4734 20.311   3.1165  33.674  8.9364 50.223  6.3224 -16.54843      10.94677 
1 1 1 7  36 7  o 21.707  6.4495 2.4889   3.3356  18.512  8.1929 24.902  9.9628 -6.390417      12.89891 
1 1 1 7  36 9  o 32.304  6.8111 12.343   3.1087  26.202  8.2817 38.406  10.816 -12.20388      13.62229 
1 1 1 7  36 11 o 27.483  6.8035 9.7385   3.3475  29.513  8.8718 25.454  10.317 4.059349       13.60703 
1 1 1 7  36 13 f 24.383  6.9295 6.6824   3.4748  22.619  8.7598 26.148  10.739 -3.528875      13.85891 
1 1 1 7  36 15 o 44.449  5.6453 23.500   3.3876  35.328  8.3023 53.570  7.6517 -18.24203      11.29054 
1 1 1 7  36 17 o 26.652  7.2325 9.5118   3.5575  21.683  8.6599 31.620  11.586 -9.937056      14.46495 
1 1 1 7  36 19 o 29.799  7.2179 12.989   3.3203  24.748  8.4960 34.849  11.671 -10.10056      14.43581 
1 1 1 7  36 21 o 52.294  6.0913 35.492   3.7404  54.949  5.2533 49.639  10.992 5.310013       12.18268 
1 1 1 7  37 0  o 36.436  11.561 18.821   7.3897  36.436  11.561 ?       ?      0.000000       0.000000 
1 1 1 7  37 2  o 25.098  6.6004 7.5542   3.2494  22.470  9.3425 27.725  9.3262 -5.255074      13.20078 
1 1 1 7  37 4  o 58.147  4.7820 38.625   3.9182  57.734  7.0998 58.561  6.4080 -0.8277473     9.563997 
1 1 1 7  37 6  f 80.489  3.6282 69.762   4.0937  78.467  4.7824 82.512  5.4576 -4.044533      7.256446 
1 1 1 7  37 8  o 23.639  6.6485 5.9300   3.2293  23.625  8.3703 23.653  10.332 -0.2891541E-01 13.29705 
1 1 1 7  37 10 o 18.959  6.2137 -2.4447  3.6810  14.056  6.8375 23.862  10.377 -9.805741      12.42743 
1 1 1 7  37 12 o 36.584  7.1274 18.158   3.5733  30.574  8.7852 42.595  11.226 -12.02136      14.25481 
1 1 1 7  37 14 o 40.255  6.4743 21.927   3.1093  45.131  4.9889 35.378  11.949 9.753147       12.94853 
1 1 1 7  37 16 o 56.067  5.2536 38.938   3.7740  55.867  5.3736 56.267  9.0291 -0.4001999     10.50718 
1 1 1 7  38 1  o 71.393  3.5449 55.714   3.5757  70.396  4.9206 72.390  5.1041 -1.993576      7.089747 
1 1 1 7  38 3  o 23.066  6.7762 5.9248   3.6940  24.835  9.8505 21.298  9.3079 3.536922       13.55247 
1 1 1 7  38 5  o 32.105  7.5582 15.727   3.9618  31.995  9.7587 32.216  11.544 -0.2214546     15.11637 
1 1 1 7  38 7  o 28.102  7.1533 11.383   3.5785  26.214  9.4485 29.989  10.743 -3.774385      14.30654 
1 1 1 7  38 9  o 18.000  5.9506 -0.7313  3.2330  15.507  7.0629 20.492  9.5789 -4.985236      11.90123 
1 1 1 7  38 11 o 17.735  6.0171 -1.7737  3.6916  14.669  6.9971 20.801  9.7910 -6.132081      12.03425 
1 1 1 7  38 13 o 16.824  5.7438 -4.7218  3.9819  15.976  7.6340 17.673  8.5842 -1.697043      11.48763 
1 1 1 7  39 0  o 30.003  12.658 16.396   7.6207  30.003  12.658 ?       ?      0.000000       0.000000 
1 1 1 7  39 2  o 43.258  6.0720 25.903   3.6362  48.939  7.5499 37.578  9.5119 11.36160       12.14404 
1 1 1 7  39 4  o 29.281  6.7554 13.720   3.8026  36.095  9.1106 22.467  9.9770 13.62825       13.51087 
1 1 1 7  39 6  o 30.765  6.8629 15.113   3.6914  36.063  8.4612 25.466  10.808 10.59732       13.72586 
1 1 1 8  1  1  o 578.979 3.6895 3356.03  29.522  581.047 4.5308 576.910 5.8242 4.137146       7.378939 
1 1 1 8  1  3  o 200.654 1.6745 403.439  4.7333  212.335 2.2567 188.973 2.4746 23.36259       3.349082 
1 1 1 8  1  5  o 460.730 2.8566 2119.67  18.581  472.636 4.1164 448.824 3.9618 23.81165       5.713227 
1 1 1 8  1  7  o 195.436 1.4621 381.553  4.0338  192.334 2.0111 198.537 2.1228 -6.202332      2.924157 
1 1 1 8  1  9  o 198.614 1.4799 394.353  4.1535  200.329 2.1326 196.900 2.0524 3.428955       2.959807 
1 1 1 8  1  11 o 307.464 1.9983 945.504  8.6878  308.046 2.8487 306.883 2.8031 1.162903       3.996534 
1 1 1 8  1  13 o 631.388 3.6433 3987.84  32.528  625.727 5.1391 637.049 5.1656 -11.32233      7.286561 
1 1 1 8  1  15 o 243.384 1.6597 590.682  5.6945  235.439 2.2805 251.329 2.4119 -15.89101      3.319329 
1 1 1 8  1  17 o 524.706 3.2190 2743.56  23.150  517.976 3.8787 531.435 5.1384 -13.45856      6.438002 
1 1 1 8  1  19 o 317.826 2.1469 997.850  9.2274  306.672 2.5226 328.979 3.4747 -22.30695      4.293827 
1 1 1 8  1  21 o 320.442 2.1864 1021.22  9.6056  314.193 2.6460 326.692 3.4813 -12.49890      4.372745 
1 1 1 8  1  23 o 113.363 1.5511 128.178  2.4610  115.220 2.3550 111.506 2.0192 3.713776       3.102140 
1 1 1 8  1  25 o 183.661 1.4979 337.520  3.8258  184.011 1.8825 183.311 2.3306 0.6996918      2.995864 
1 1 1 8  1  27 o 195.726 1.5545 383.714  4.2223  196.883 1.9353 194.569 2.4331 2.314468       3.108927 
1 1 1 8  1  29 o 128.573 1.5013 165.762  2.6938  130.216 1.9064 126.930 2.3197 3.286552       3.002559 
1 1 1 8  1  31 o 114.902 1.7562 131.258  2.5679  113.493 1.7804 116.311 3.0278 -2.818115      3.512463 
1 1 1 8  1  33 o 76.597  1.8484 59.571   1.9476  81.239  2.2030 71.955  2.9686 9.283936       3.696769 
1 1 1 8  1  35 o 84.840  1.7625 72.243   2.1037  86.784  2.3283 82.896  2.6465 3.887566       3.524908 
1 1 1 8  1  37 o 93.006  1.8669 87.327   2.4028  96.158  2.2815 89.853  2.9556 6.304359       3.733713 
1 1 1 8  1  39 o 31.404  5.1040 10.453   2.2133  31.269  7.6273 31.538  6.7845 -0.2692585     10.20809 
1 1 1 8  1  41 o 16.778  5.2446 -1.4916  2.4771  16.085  7.3221 17.471  7.5106 -1.385136      10.48918 
1 1 1 8  1  43 o 28.593  5.7332 8.6865   2.6113  23.159  8.8131 34.027  7.3352 -10.86812      11.46631 
1 1 1 8  1  45 o 29.068  5.9370 9.0640   2.8289  22.146  8.7178 35.990  8.0617 -13.84418      11.87395 
1 1 1 8  1  47 o 18.220  5.6362 -1.4494  2.9845  15.936  7.6197 20.504  8.3071 -4.567992      11.27242 
1 1 1 8  1  49 o 23.526  6.0932 6.4089   2.6768  26.128  8.9661 20.925  8.2534 5.202755       12.18649 
1 1 1 8  1  51 o 23.707  6.6072 8.0253   3.3712  20.078  8.7063 27.337  9.9409 -7.259029      13.21443 
1 1 1 8  2  0  o 682.107 5.8664 4654.61  80.017  682.107 5.8664 ?       ?      0.000000       0.000000 
1 1 1 8  2  2  o 668.030 4.1231 4465.52  38.156  667.270 6.4717 668.790 5.1104 -1.520081      8.246130 
1 1 1 8  2  4  o 420.696 2.6540 1770.10  15.788  419.558 3.7290 421.834 3.7773 -2.276642      5.307917 
1 1 1 8  2  6  o 78.692  1.1412 61.844   1.2675  77.261  1.5692 80.122  1.6573 -2.860962      2.282305 
1 1 1 8  2  8  o 254.462 1.7488 647.590  6.2923  254.314 2.4971 254.610 2.4489 -0.2954865     3.497524 
1 1 1 8  2  10 o 208.597 1.4782 435.278  4.3571  207.489 2.1425 209.704 2.0372 -2.215042      2.956439 
1 1 1 8  2  12 o 678.664 3.9760 4608.94  38.160  679.716 5.6397 677.611 5.6061 2.105530       7.952081 
1 1 1 8  2  14 o 846.862 4.8254 7175.87  57.786  847.914 6.8700 845.809 6.7779 2.105347       9.650764 
1 1 1 8  2  16 o 196.050 1.5023 384.568  4.1439  196.904 1.9938 195.195 2.2478 1.709091       3.004634 
1 1 1 8  2  18 o 1047.80 6.0885 10965.26 87.616  1039.48 7.3645 1056.11 9.6976 -16.62268      12.17701 
1 1 1 8  2  20 o 534.474 3.3282 2852.30  24.410  530.794 4.0135 538.154 5.3103 -7.360046      6.656352 
1 1 1 8  2  22 o 318.408 2.1585 1015.09  9.5030  319.688 2.6547 317.129 3.4043 2.558441       4.316982 
1 1 1 8  2  24 o 238.147 1.7151 567.278  5.6804  238.153 2.1575 238.141 2.6667 0.1197815E-01  3.430192 
1 1 1 8  2  26 o 10.892  3.5839 -2.3746  1.3053  9.8634  4.6248 11.920  5.4762 -2.056597      7.167754 
1 1 1 8  2  28 o 175.627 1.5328 308.062  3.7178  174.502 1.8858 176.753 2.4170 -2.251129      3.065667 
1 1 1 8  2  30 o 258.403 2.2424 668.227  7.6755  258.176 2.4598 258.630 3.7502 -0.4543457     4.484879 
1 1 1 8  2  32 o 97.105  1.5594 94.037   2.1111  95.418  1.9966 98.792  2.3960 -3.373466      3.118857 
1 1 1 8  2  34 o 133.523 1.5748 178.469  2.9729  134.238 2.1934 132.809 2.2605 1.429184       3.149691 
1 1 1 8  2  36 o 211.669 1.8104 449.126  5.3632  212.625 2.3351 210.713 2.7673 1.912216       3.620816 
1 1 1 8  2  38 o 30.214  4.7415 9.5331   2.0491  36.106  5.7563 24.323  7.5362 11.78242       9.483092 
1 1 1 8  2  40 f 37.466  3.9267 14.260   2.0784  38.468  5.4028 36.465  5.6997 2.003189       7.853459 
1 1 1 8  2  42 o 19.423  5.1955 2.5996   2.0190  22.085  7.6749 16.761  7.0047 5.324764       10.39090 
1 1 1 8  2  44 o 17.097  5.0419 -0.9778  2.2801  13.079  6.2585 21.114  7.9066 -8.034691      10.08381 
1 1 1 8  2  46 o 28.778  5.9094 9.4110   2.5610  27.263  8.7755 30.293  7.9169 -3.030111      11.81886 
1 1 1 8  2  48 o 14.650  4.9071 -4.6333  2.7085  15.198  7.1513 14.102  6.7214 1.096552       9.814162 
1 1 1 8  2  50 o 17.513  5.5015 0.7062   2.7177  17.542  7.9508 17.484  7.6059 0.5841446E-01  11.00296 
1 1 1 8  3  1  o 404.647 2.5732 1634.58  14.664  411.684 3.8004 397.610 3.4702 14.07367       5.146380 
1 1 1 8  3  3  f 865.154 5.2418 7503.17  62.815  858.682 8.2428 871.625 6.4778 -12.94379      10.48363 
1 1 1 8  3  5  o 702.268 4.5733 4941.76  45.078  695.092 6.9270 709.443 5.9731 -14.35120      9.146599 
1 1 1 8  3  7  f 371.470 2.3628 1380.03  12.410  373.202 3.3723 369.739 3.3102 3.463745       4.725502 
1 1 1 8  3  9  o 354.544 2.2571 1256.36  11.297  350.713 3.0947 358.376 3.2863 -7.662537      4.514130 
1 1 1 8  3  11 f 419.392 2.5653 1758.28  15.188  423.413 3.7360 415.371 3.5164 8.042175       5.130591 
1 1 1 8  3  13 o 439.326 2.6807 1930.22  16.653  443.102 3.8045 435.549 3.7777 7.553802       5.361456 
1 1 1 8  3  15 o 335.796 2.1213 1127.49  10.072  338.967 3.0146 332.624 2.9853 6.343140       4.242671 
1 1 1 8  3  17 o 162.764 1.3695 264.993  3.0491  162.889 1.6304 162.638 2.2008 0.2506409      2.738935 
1 1 1 8  3  19 o 490.761 2.9899 2419.03  20.509  502.935 3.8111 478.586 4.6081 24.34833       5.979859 
1 1 1 8  3  21 o 193.655 1.5146 378.236  4.0787  202.451 1.8821 184.859 2.3735 17.59200       3.029169 
1 1 1 8  3  23 o 355.014 2.2904 1260.32  11.197  354.448 2.7852 355.581 3.6369 -1.132446      4.580876 
1 1 1 8  3  25 o 313.181 2.1417 981.675  9.3544  313.867 2.7223 312.495 3.3070 1.372467       4.283321 
1 1 1 8  3  27 o 47.551  2.2311 22.921   1.4580  50.043  2.6534 45.059  3.5875 4.984173       4.462146 
1 1 1 8  3  29 o 199.111 1.9010 398.285  5.1839  201.869 2.2593 196.353 3.0578 5.515808       3.801953 
1 1 1 8  3  31 o 110.848 1.6823 121.757  2.4697  108.287 1.8660 113.410 2.7998 -5.122383      3.364667 
1 1 1 8  3  33 o 219.955 1.8261 483.686  5.5989  218.574 2.3244 221.337 2.8170 -2.763092      3.652153 
1 1 1 8  3  35 o 34.439  4.0040 12.134   1.9034  35.206  5.2475 33.673  6.0492 1.533112       8.008061 
1 1 1 8  3  37 o 84.862  1.8285 72.068   2.1878  83.782  2.4807 85.942  2.6870 -2.159935      3.657030 
1 1 1 8  3  39 f 56.249  2.5434 31.832   2.0190  56.925  3.4482 55.574  3.7398 1.351120       5.086896 
1 1 1 8  3  41 o 39.524  4.5109 16.858   2.3093  44.523  4.6680 34.524  7.7203 9.999180       9.021871 
1 1 1 8  3  43 o 19.771  5.5369 2.4248   2.3093  20.422  7.9134 19.120  7.7463 1.302555       11.07372 
1 1 1 8  3  45 o 39.163  4.0920 16.121   2.1802  44.652  5.3011 33.674  6.2350 10.97820       8.183964 
1 1 1 8  3  47 f 24.869  6.0993 6.8124   2.6507  23.280  8.7609 26.458  8.4882 -3.177643      12.19853 
1 1 1 8  3  49 o 19.388  5.9945 1.4172   2.9030  23.210  9.6916 15.567  7.0576 7.642477       11.98904 
1 1 1 8  3  51 o 34.514  6.3640 19.655   3.7090  24.345  11.388 44.684  5.6848 -20.33956      12.72795 
1 1 1 8  4  0  o 94.930  1.3994 90.178   2.6557  94.930  1.3994 ?       ?      0.000000       0.000000 
1 1 1 8  4  2  o 991.408 5.7291 9828.06  80.211  1007.28 8.2878 975.537 7.9124 31.74158       11.45830 
1 1 1 8  4  4  o 521.053 3.4834 2713.64  25.346  523.445 5.3492 518.661 4.4635 4.783752       6.966870 
1 1 1 8  4  6  o 574.521 3.6341 3291.71  28.484  580.388 5.8489 568.655 4.3148 11.73315       7.268257 
1 1 1 8  4  8  o 477.406 2.9933 2282.69  19.725  475.224 4.7379 479.588 3.6595 -4.364563      5.986630 
1 1 1 8  4  10 o 179.404 1.3435 321.890  3.4052  173.290 1.9323 185.518 1.8672 -12.22787      2.687021 
1 1 1 8  4  12 o 561.758 3.3796 3157.24  26.844  564.585 4.7242 558.930 4.8340 5.655273       6.759140 
1 1 1 8  4  14 o 399.824 2.4453 1598.70  13.825  401.455 3.4801 398.193 3.4362 3.262177       4.890663 
1 1 1 8  4  16 o 732.788 4.2230 5371.78  43.750  734.697 6.0506 730.878 5.8927 3.818604       8.445936 
1 1 1 8  4  18 o 79.471  1.4529 63.159   2.3093  79.471  1.4529 ?       ?      ?              ?        
1 1 1 8  4  20 o 376.582 2.4459 1416.14  12.700  374.158 2.9934 379.006 3.8691 -4.847229      4.891848 
1 1 1 8  4  22 o 671.848 4.0690 4514.83  37.698  669.560 4.9751 674.137 6.4400 -4.577393      8.137944 
1 1 1 8  4  24 o 287.518 1.9801 827.513  7.8958  288.392 2.4623 286.643 3.1017 1.748840       3.960223 
1 1 1 8  4  26 o 324.255 2.2761 1051.64  10.378  323.112 3.0196 325.399 3.4065 -2.287872      4.552154 
1 1 1 8  4  28 o 106.823 1.4295 113.343  2.0596  104.722 1.6539 108.924 2.3321 -4.201965      2.859032 
1 1 1 8  4  30 o 202.785 1.6423 411.914  4.6186  203.683 2.0408 201.886 2.5737 1.796783       3.284606 
1 1 1 8  4  32 o 282.493 2.0574 800.289  8.0076  284.224 2.4984 280.761 3.2695 3.462830       4.114792 
1 1 1 8  4  34 o 28.281  4.1211 8.3114   1.6144  31.256  4.9871 25.305  6.5623 5.951014       8.242281 
1 1 1 8  4  36 o 129.642 1.6517 169.218  2.9843  133.442 2.0767 125.842 2.5691 7.599678       3.303456 
1 1 1 8  4  38 o 88.406  1.8073 78.482   2.2456  89.950  2.3748 86.862  2.7250 3.088051       3.614591 
1 1 1 8  4  40 o 52.858  2.8554 28.300   2.1037  59.229  3.7040 46.486  4.3467 12.74294       5.710806 
1 1 1 8  4  42 o 18.001  5.3395 0.6567   2.3078  17.354  7.4863 18.648  7.6156 -1.293867      10.67903 
1 1 1 8  4  44 o 30.677  4.8895 10.366   2.3349  40.819  5.5159 20.534  8.0749 20.28506       9.779067 
1 1 1 8  4  46 o 55.245  3.3258 31.302   2.5518  57.644  5.1078 52.845  4.2607 4.799522       6.651540 
1 1 1 8  4  48 o 19.360  5.7605 1.7885   2.6139  23.896  9.3419 14.823  6.7425 9.072660       11.52093 
1 1 1 8  4  50 o 17.750  5.4555 0.8451   2.6692  16.263  7.6045 19.237  7.8244 -2.974178      10.91096 
1 1 1 8  5  1  o 1194.20 6.8353 14280.47 115.429 1205.16 9.6527 1183.23 9.6803 21.93152       13.67054 
1 1 1 8  5  3  o 622.190 3.7464 3872.53  32.961  627.727 5.3067 616.654 5.2896 11.07306       7.492746 
1 1 1 8  5  5  o 512.440 3.1549 2625.60  22.837  516.924 4.5679 507.957 4.3530 8.966888       6.309868 
1 1 1 8  5  7  o 572.263 3.6829 3272.29  28.547  574.570 5.9986 569.957 4.2745 4.612732       7.365797 
1 1 1 8  5  9  o 442.486 2.8374 1962.20  17.376  439.177 4.4695 445.795 3.4966 -6.617157      5.674736 
1 1 1 8  5  11 o 578.182 3.5693 3346.65  28.437  576.749 5.6656 579.615 4.3428 -2.865906      7.138557 
1 1 1 8  5  13 o 77.710  1.1845 60.419   1.2983  73.587  1.7260 81.834  1.6226 -8.246246      2.368949 
1 1 1 8  5  15 o 710.880 4.1460 5054.21  41.667  717.225 5.9244 704.535 5.8016 12.69037       8.291972 
1 1 1 8  5  17 o 543.712 3.2992 2944.21  24.650  535.242 4.0125 552.182 5.2381 -16.94061      6.598306 
1 1 1 8  5  19 o 239.223 1.7239 576.364  5.7449  248.600 2.1597 229.845 2.6876 18.75557       3.447859 
1 1 1 8  5  21 f 223.216 1.6983 497.046  5.2714  220.543 2.1465 225.889 2.6325 -5.345993      3.396686 
1 1 1 8  5  23 o 194.890 1.5702 376.767  4.1800  189.698 1.8869 200.083 2.5103 -10.38498      3.140394 
1 1 1 8  5  25 o 239.981 2.2817 577.735  7.5004  237.798 3.6660 242.165 2.7178 -4.367401      4.563501 
1 1 1 8  5  27 o 41.249  2.3279 17.040   1.3561  41.739  3.1813 40.758  3.3995 0.9811935      4.655887 
1 1 1 8  5  29 o 269.267 1.9378 727.026  7.2665  271.903 2.4418 266.631 3.0097 5.271851       3.875629 
1 1 1 8  5  31 o 205.877 1.8450 421.773  5.0426  203.000 2.0477 208.754 3.0698 -5.754120      3.690044 
1 1 1 8  5  33 o 95.740  1.5790 91.694   2.1345  99.899  2.1961 91.581  2.2694 8.317299       3.157994 
1 1 1 8  5  35 o 63.758  2.0804 40.674   1.8723  65.200  3.0106 62.315  2.8720 2.884892       4.160779 
1 1 1 8  5  37 o 62.577  2.1557 39.125   1.8982  67.364  2.9996 57.789  3.0970 9.575329       4.311447 
1 1 1 8  5  39 o 79.023  2.1453 62.697   2.3928  79.011  3.1419 79.034  2.9219 -0.2295685E-01 4.290596 
1 1 1 8  5  41 o 28.023  5.2368 8.4147   2.1037  28.580  7.5589 27.466  7.2498 1.113882       10.47358 
1 1 1 8  5  43 o 30.754  4.9384 10.281   2.2193  37.817  5.6486 23.692  8.1021 14.12421       9.876735 
1 1 1 8  5  45 o 35.225  4.7492 13.015   2.2779  43.041  6.3043 27.409  7.1045 15.63172       9.498314 
1 1 1 8  5  47 o 16.223  5.0299 -0.3197  2.2279  15.826  7.1916 16.620  7.0342 -0.7945099     10.05976 
1 1 1 8  5  49 o 17.107  5.1328 0.4772   2.3677  14.617  6.8927 19.597  7.6073 -4.979877      10.26553 
1 1 1 8  5  51 o 15.761  4.9943 0.3493   2.2573  15.217  6.6905 16.304  7.4167 -1.086900      9.988541 
1 1 1 8  6  0  o 314.970 3.0433 992.418  19.167  314.970 3.0433 ?       ?      0.000000       0.000000 
1 1 1 8  6  2  f 220.395 1.6573 484.573  5.1475  226.051 2.4262 214.738 2.2583 11.31358       3.314632 
1 1 1 8  6  4  f 536.551 3.3210 2879.70  25.196  530.669 4.6889 542.434 4.7043 -11.76532      6.642013 
1 1 1 8  6  6  o 617.283 3.6937 3812.66  32.241  624.042 5.2085 610.525 5.2387 13.51740       7.387340 
1 1 1 8  6  8  o 240.742 1.7872 583.440  5.9242  234.610 2.8545 246.874 2.1515 -12.26317      3.574480 
1 1 1 8  6  10 o 643.854 3.8907 4135.83  34.336  650.237 6.2151 637.471 4.6822 12.76617       7.781376 
1 1 1 8  6  12 o 643.665 3.9400 4162.50  35.191  630.819 6.1867 656.510 4.8806 -25.69110      7.880070 
1 1 1 8  6  14 o 528.688 3.2934 2794.74  23.820  529.340 5.2896 528.035 3.9251 1.304932       6.586854 
1 1 1 8  6  16 o 922.656 5.2031 8517.28  67.869  915.564 7.2767 929.748 7.4389 -14.18463      10.40617 
1 1 1 8  6  18 o 499.831 2.9959 2511.48  20.915  514.649 3.8028 485.012 4.6304 29.63721       5.991818 
1 1 1 8  6  20 o 497.035 3.2318 2471.87  22.636  497.424 4.3407 496.645 4.7893 0.7793274      6.463679 
1 1 1 8  6  22 o 688.761 4.0676 4757.44  39.005  694.177 5.1231 683.345 6.3195 10.83234       8.135195 
1 1 1 8  6  24 o 143.672 1.7261 203.751  3.2020  139.845 1.8165 147.499 2.9356 -7.653946      3.452114 
1 1 1 8  6  26 o 16.360  3.9921 2.3093   1.1546  14.383  5.5910 18.338  5.6999 -3.954382      7.984236 
1 1 1 8  6  28 f 83.689  1.3693 70.182   1.6144  82.101  2.0392 85.276  1.8279 -3.175285      2.738560 
1 1 1 8  6  30 o 89.014  1.4220 79.194   1.7878  92.287  2.0018 85.740  2.0200 6.547707       2.843913 
1 1 1 8  6  32 o 119.206 1.4384 142.195  2.4248  120.053 2.0197 118.358 2.0487 1.695076       2.876862 
1 1 1 8  6  34 o 68.335  1.8829 46.736   1.8144  68.752  2.7711 67.917  2.5501 0.8357773      3.765892 
1 1 1 8  6  36 o 76.294  1.8726 58.280   2.0190  74.294  2.6421 78.295  2.6545 -4.001633      3.745274 
1 1 1 8  6  38 o 52.684  2.7107 27.774   2.0058  54.523  4.0237 50.846  3.6334 3.676598       5.421406 
1 1 1 8  6  40 o 62.839  2.5032 39.793   2.2223  61.868  3.6393 63.809  3.4381 -1.940964      5.006485 
1 1 1 8  6  42 o 69.613  2.6115 48.853   2.4759  69.722  4.2230 69.503  3.0734 0.2186508      5.222936 
1 1 1 8  6  44 o 76.598  2.5911 60.060   2.6739  74.215  4.2785 78.981  2.9239 -4.765877      5.182135 
1 1 1 8  6  46 o 37.432  4.5421 15.547   2.2713  32.973  7.5180 41.890  5.0992 -8.917465      9.084197 
1 1 1 8  6  48 o 30.966  4.8460 11.373   2.0784  27.430  7.4043 34.502  6.2541 -7.072096      9.692078 
1 1 1 8  6  50 o 15.711  4.8923 0.1986   2.1646  17.215  7.2564 14.207  6.5637 3.008176       9.784597 
1 1 1 8  7  1  o 288.867 2.0818 827.175  8.4090  273.934 2.7609 303.800 3.1166 -29.86661      4.163564 
1 1 1 8  7  3  o 206.123 2.1287 424.910  8.7753  206.123 2.1287 ?       ?      ?              ?        
1 1 1 8  7  5  o 404.649 2.5886 1638.16  14.802  403.634 3.7474 405.665 3.5721 -2.031860      5.177176 
1 1 1 8  7  7  o 395.491 2.4514 1564.05  13.707  389.099 3.4571 401.883 3.4764 -12.78305      4.902786 
1 1 1 8  7  9  o 281.969 1.8752 794.515  7.4628  285.089 2.7338 278.848 2.5673 6.241669       3.750302 
1 1 1 8  7  11 o 282.388 1.9763 798.017  7.6053  281.812 3.1958 282.965 2.3259 -1.153229      3.952613 
1 1 1 8  7  13 o 544.646 3.4284 2946.90  25.296  555.506 5.5601 533.785 4.0126 21.72119       6.856811 
1 1 1 8  7  15 o 267.578 1.8258 719.055  6.7652  262.667 2.8793 272.489 2.2458 -9.821960      3.651576 
1 1 1 8  7  17 o 559.842 3.8102 3135.81  30.165  555.300 5.4166 564.384 5.3601 -9.083496      7.620425 
1 1 1 8  7  19 o 93.144  1.4386 87.421   1.8723  88.278  2.2236 98.010  1.8260 -9.732010      2.877260 
1 1 1 8  7  21 o 299.047 2.0260 891.381  8.3510  295.025 2.4852 303.069 3.2003 -8.044098      4.051909 
1 1 1 8  7  23 o 200.645 2.0144 399.195  5.1821  197.211 2.0785 204.079 3.4513 -6.868179      4.028814 
1 1 1 8  7  25 o 130.974 1.2679 171.690  2.3207  131.462 1.6249 130.487 1.9467 0.9743652      2.535738 
1 1 1 8  7  27 o 60.629  1.3867 36.839   1.1772  59.913  2.1199 61.344  1.7881 -1.431179      2.773344 
1 1 1 8  7  29 o 323.969 2.3100 1049.70  10.416  322.039 2.9221 325.899 3.5784 -3.859802      4.619914 
1 1 1 8  7  31 o 124.709 1.4438 155.825  2.5350  126.286 1.9200 123.131 2.1568 3.155136       2.887616 
1 1 1 8  7  33 o 54.348  2.0277 29.420   1.5502  58.219  2.8757 50.477  2.8593 7.742348       4.055323 
1 1 1 8  7  35 o 74.890  1.7171 56.167   1.8181  75.158  2.4581 74.622  2.3983 0.5359192      3.434257 
1 1 1 8  7  37 o 119.688 1.5537 143.539  2.6240  120.634 2.1057 118.741 2.2852 1.892471       3.107413 
1 1 1 8  7  39 f 134.273 1.6902 181.023  3.2039  137.974 2.3014 130.572 2.4760 7.402100       3.380385 
1 1 1 8  7  41 o 19.641  5.2103 3.0649   1.9476  20.029  7.6477 19.253  7.0783 0.7764263      10.42063 
1 1 1 8  7  43 o 21.813  5.3763 4.4787   2.0166  24.528  8.1021 19.098  7.0694 5.430761       10.75270 
1 1 1 8  7  45 f 20.654  5.5416 3.4699   2.0874  24.184  8.8159 17.124  6.7169 7.059298       11.08316 
1 1 1 8  7  47 o 19.022  5.5492 2.3649   2.2703  21.610  8.7502 16.433  6.8270 5.176846       11.09842 
1 1 1 8  7  49 o 16.889  5.4455 -0.1323  2.5354  19.825  8.8449 13.952  6.3546 5.873238       10.89100 
1 1 1 8  8  0  f 120.338 1.7279 144.908  4.1567  120.338 1.7279 ?       ?      0.000000       0.000000 
1 1 1 8  8  2  o 179.438 2.3932 306.476  4.7151  190.211 4.3706 168.664 1.9511 21.54688       4.786347 
1 1 1 8  8  4  o 31.767  1.8331 10.219   0.8083  28.223  2.8638 35.311  2.2890 -7.087753      3.666163 
1 1 1 8  8  6  o 141.699 1.1513 199.817  2.2963  134.936 1.5830 148.461 1.6721 -13.52541      2.302626 
1 1 1 8  8  8  o 146.738 1.2242 215.342  2.5402  145.675 1.7438 147.800 1.7187 -2.124573      2.448381 
1 1 1 8  8  10 o 522.531 3.1483 2729.74  23.249  516.817 4.3789 528.246 4.5246 -11.42847      6.296611 
1 1 1 8  8  12 o 417.029 2.7371 1736.56  15.550  419.191 4.4209 414.867 3.2285 4.324738       5.474260 
1 1 1 8  8  14 o 179.415 1.4500 321.846  3.4639  179.510 2.4121 179.320 1.6098 0.1891937      2.899907 
1 1 1 8  8  16 o 416.771 2.7851 1727.60  16.096  426.856 4.3280 406.686 3.5064 20.16998       5.570116 
1 1 1 8  8  18 o 613.673 4.5838 3740.36  37.528  601.737 5.1617 625.610 7.5763 -23.87311      9.167552 
1 1 1 8  8  20 o 213.775 2.0571 459.007  5.8827  216.095 2.2976 211.455 3.4128 4.640152       4.114145 
1 1 1 8  8  22 o 203.970 2.0112 418.754  5.5271  207.562 2.2808 200.378 3.3133 7.183670       4.022470 
1 1 1 8  8  24 o 228.067 2.2104 524.317  6.7142  232.419 2.4343 223.715 3.6903 8.703857       4.420855 
1 1 1 8  8  26 f 88.158  1.8390 77.873   2.2625  88.850  2.3392 87.466  2.8382 1.383583       3.677941 
1 1 1 8  8  28 o 59.140  1.1430 34.965   0.9447  59.333  1.7514 58.946  1.4691 0.3873138      2.286001 
1 1 1 8  8  30 o 135.585 1.2939 182.388  2.4489  129.589 1.6929 141.582 1.9573 -11.99271      2.587834 
1 1 1 8  8  32 o 173.805 1.5171 303.710  3.6624  177.654 1.8848 169.956 2.3778 7.697662       3.034246 
1 1 1 8  8  34 o 43.512  2.2571 18.871   1.3639  44.626  3.4929 42.398  2.8595 2.228176       4.514145 
1 1 1 8  8  36 o 75.667  1.6819 56.902   1.7431  77.632  2.6772 73.703  2.0366 3.929337       3.363803 
1 1 1 8  8  38 o 78.067  1.9205 61.046   2.0752  78.518  3.0146 77.616  2.3802 0.9015656      3.841032 
1 1 1 8  8  40 o 60.450  2.2020 36.670   1.8545  61.222  3.3948 59.678  2.8054 1.543430       4.404006 
1 1 1 8  8  42 o 77.625  1.9424 61.114   2.0973  74.025  3.0416 81.226  2.4166 -7.200958      3.884776 
1 1 1 8  8  44 o 30.104  4.8911 9.7722   2.0003  33.242  7.3182 26.966  6.4913 6.275728       9.782245 
1 1 1 8  8  46 o 26.863  5.5307 8.3266   2.2362  25.374  8.5936 28.352  6.9644 -2.977322      11.06132 
1 1 1 8  8  48 o 23.490  5.7218 6.5035   2.2573  25.849  8.6885 21.131  7.4474 4.718054       11.44352 
1 1 1 8  8  50 o 20.287  7.7491 5.1959   4.3877  ?       ?      20.287  7.7491 ?              ?        
1 1 1 8  9  1  o 121.441 1.1604 147.552  1.9913  120.134 1.6820 122.749 1.5991 -2.614891      2.320831 
1 1 1 8  9  3  f 119.175 1.1851 142.333  1.9913  115.178 1.7544 123.171 1.5936 -7.993378      2.370109 
1 1 1 8  9  5  o 364.035 2.3945 1325.18  12.323  356.202 3.4036 371.868 3.3689 -15.66614      4.788967 
1 1 1 8  9  7  o 516.931 3.2061 2671.53  23.419  522.695 4.6169 511.167 4.4499 11.52786       6.412269 
1 1 1 8  9  9  o 304.924 1.9947 929.244  8.5924  301.185 2.7602 308.662 2.8804 -7.476776      3.989459 
1 1 1 8  9  11 o 569.922 3.3995 3248.06  27.368  572.784 4.9287 567.060 4.6833 5.724182       6.798929 
1 1 1 8  9  13 o 557.787 3.5557 3114.21  27.677  555.958 5.4829 559.615 4.5289 -3.657043      7.111487 
1 1 1 8  9  15 f 192.585 1.7230 365.480  4.5159  201.275 2.7536 183.895 2.0720 17.38028       3.446092 
1 1 1 8  9  17 o 208.371 1.6748 434.806  4.8638  206.983 2.5940 209.759 2.1193 -2.775742      3.349638 
1 1 1 8  9  19 o 448.734 3.3359 2027.60  20.540  458.982 3.9748 438.487 5.3587 20.49478       6.671881 
1 1 1 8  9  21 o 355.757 2.8440 1262.97  13.564  353.204 3.2200 358.310 4.6887 -5.105530      5.687933 
1 1 1 8  9  23 o 345.527 3.0992 1190.37  13.839  342.781 3.2337 348.274 5.2880 -5.492859      6.198353 
1 1 1 8  9  25 o 137.903 1.9303 189.778  3.4476  137.168 2.0203 138.639 3.2897 -1.471313      3.860547 
1 1 1 8  9  27 o 53.961  3.8610 29.656   2.8820  58.889  4.7057 49.034  6.1225 9.855122       7.721954 
1 1 1 8  9  29 o 271.076 2.5124 733.810  9.0847  269.125 2.8102 273.027 4.1656 -3.901123      5.024895 
1 1 1 8  9  31 o 170.820 2.0496 293.030  4.6736  172.161 2.2803 169.479 3.4065 2.681992       4.099232 
1 1 1 8  9  33 f 49.108  2.9060 22.174   1.4648  44.542  2.2034 53.674  5.3781 -9.131565      5.811967 
1 1 1 8  9  35 f 111.818 2.0389 123.301  2.8919  108.509 2.0750 115.126 3.5103 -6.617226      4.077713 
1 1 1 8  9  37 o 67.368  2.5436 45.811   2.2769  68.200  2.7935 66.536  4.2517 1.663879       5.087276 
1 1 1 8  9  39 o 41.694  4.6027 17.144   2.5365  38.142  5.2977 45.246  7.5282 -7.104248      9.205400 
1 1 1 8  9  41 o 24.211  6.0197 5.1297   2.3975  19.562  7.2834 28.860  9.5865 -9.298620      12.03946 
1 1 1 8  9  43 o 17.536  5.6110 -1.8909  2.7369  15.180  6.8428 19.892  8.8943 -4.712053      11.22196 
1 1 1 8  9  45 o 20.600  5.9915 1.6657   2.9369  22.036  8.1355 19.163  8.7982 2.873693       11.98310 
1 1 1 8  9  47 o 20.698  6.1772 2.6202   3.1698  21.549  8.3101 19.847  9.1419 1.702402       12.35444 
1 1 1 8  9  49 o 32.867  7.0605 15.625   3.5415  33.299  9.1041 32.434  10.794 0.8650322      14.12097 
1 1 1 8  10 0  o 462.573 3.9445 2140.48  36.487  462.573 3.9445 ?       ?      0.000000       0.000000 
1 1 1 8  10 2  f 220.062 1.5936 481.540  4.9321  231.354 2.3207 208.769 2.1846 22.58507       3.187230 
1 1 1 8  10 4  o 980.827 5.6853 9627.76  78.849  973.617 7.9932 988.037 8.0869 -14.42053      11.37053 
1 1 1 8  10 6  o 853.540 4.9502 7289.57  59.752  852.180 6.9779 854.900 7.0232 -2.720886      9.900346 
1 1 1 8  10 8  o 643.783 3.8460 4145.81  35.011  644.655 5.4897 642.911 5.3879 1.744141       7.691989 
1 1 1 8  10 10 o 365.921 2.3205 1339.16  12.008  366.032 3.2649 365.811 3.2984 0.2213745      4.641044 
1 1 1 8  10 12 o 552.734 3.2827 3053.47  25.627  545.026 4.5336 560.441 4.7489 -15.41516      6.565472 
1 1 1 8  10 14 o 418.478 2.6296 1751.34  15.547  419.848 3.8090 417.108 3.6264 2.740082       5.259150 
1 1 1 8  10 16 o 639.163 4.0928 4079.20  36.521  646.859 6.2743 631.468 5.2570 15.39050       8.185503 
1 1 1 8  10 18 o 238.939 2.4075 576.759  7.9833  251.074 2.9662 226.804 3.7927 24.27031       4.814926 
1 1 1 8  10 20 o 517.569 5.1351 2678.66  31.817  516.210 4.6301 518.927 9.1673 -2.717712      10.27018 
1 1 1 8  10 22 o 206.580 2.1165 428.234  5.9418  208.523 2.4641 204.637 3.4419 3.886078       4.232993 
1 1 1 8  10 24 o 175.647 2.0663 304.606  4.6717  171.023 2.1604 180.270 3.5228 -9.247284      4.132504 
1 1 1 8  10 26 o 170.554 2.0047 289.701  4.5724  168.462 2.2618 172.645 3.3105 -4.182938      4.009436 
1 1 1 8  10 28 o 180.036 2.2128 321.466  5.3437  175.576 2.5319 184.497 3.6298 -8.921448      4.425632 
1 1 1 8  10 30 o 112.416 2.7050 125.728  3.6306  111.258 2.4388 113.574 4.8291 -2.315132      5.409999 
1 1 1 8  10 32 o 177.078 2.2338 315.325  5.4822  180.063 2.7574 174.094 3.5151 5.968582       4.467563 
1 1 1 8  10 34 o 198.012 2.4299 395.871  6.6603  203.687 2.9761 192.337 3.8421 11.35014       4.859896 
1 1 1 8  10 36 o 126.709 2.1758 162.488  3.7045  129.982 2.4429 123.437 3.6013 6.544930       4.351694 
1 1 1 8  10 38 o 40.082  5.7942 17.415   3.0063  43.555  5.6997 36.609  10.090 6.945999       11.58835 
1 1 1 8  10 40 o 31.324  5.4204 11.163   1.8461  35.668  3.3990 26.979  10.294 8.688883       10.84085 
1 1 1 8  10 42 f 21.182  5.1474 3.2667   1.8526  23.256  5.3254 19.109  8.8103 4.146116       10.29472 
1 1 1 8  10 44 o 34.106  5.5484 11.975   2.0936  32.322  4.4654 35.890  10.159 -3.567928      11.09675 
1 1 1 8  10 46 o 15.558  5.1732 -2.2467  2.2900  12.894  5.8397 18.221  8.5407 -5.327161      10.34634 
1 1 1 8  10 48 o 16.294  5.2977 -1.2908  2.5326  15.380  6.5685 17.208  8.3136 -1.828660      10.59530 
1 1 1 8  11 1  o 589.727 3.6308 3478.89  30.280  589.810 5.1486 589.644 5.1207 0.1653442      7.261557 
1 1 1 8  11 3  f 307.667 2.0753 943.819  9.0018  318.455 3.0094 296.879 2.8586 21.57547       4.150682 
1 1 1 8  11 5  o 443.768 2.8146 1968.24  17.651  436.140 3.9314 451.396 4.0288 -15.25562      5.629117 
1 1 1 8  11 7  o 928.003 5.3759 8617.31  70.537  926.897 7.5116 929.109 7.6926 -2.211182      10.75178 
1 1 1 8  11 9  o 279.339 1.8706 780.325  7.3893  277.045 2.6465 281.633 2.6444 -4.587799      3.741224 
1 1 1 8  11 11 o 701.729 4.0169 4925.98  39.859  706.045 5.7074 697.413 5.6539 8.631653       8.033789 
1 1 1 8  11 13 o 296.091 2.0548 876.931  8.6006  297.261 2.8549 294.920 2.9559 2.340912       4.109517 
1 1 1 8  11 15 o 496.034 2.9834 2460.88  20.916  499.340 4.2894 492.728 4.1478 6.612640       5.966821 
1 1 1 8  11 17 o 99.651  1.4696 98.098   1.9580  102.777 2.4154 96.526  1.6747 6.251427       2.939184 
1 1 1 8  11 19 o 245.606 3.3531 605.103  8.8979  246.341 2.5545 244.871 6.2007 1.470367       6.706235 
1 1 1 8  11 21 o 211.545 2.0715 452.918  5.9382  219.212 2.3703 203.877 3.3981 15.33557       4.143067 
1 1 1 8  11 23 o 166.638 1.9982 280.989  4.4574  171.763 2.2184 161.513 3.3243 10.25027       3.996472 
1 1 1 8  11 25 o 144.271 2.0097 207.706  3.8128  143.373 2.1744 145.170 3.3803 -1.797379      4.019309 
1 1 1 8  11 27 o 249.706 2.4965 623.221  8.5703  247.811 3.0286 251.602 3.9696 -3.791672      4.993040 
1 1 1 8  11 29 o 102.716 3.1462 105.973  4.2953  103.140 3.4704 102.291 5.2488 0.8489685      6.292378 
1 1 1 8  11 31 o 61.867  3.4072 38.314   2.9393  60.869  4.3630 62.866  5.2345 -1.996971      6.814386 
1 1 1 8  11 33 o 74.380  3.0889 57.243   3.0652  80.866  3.3554 67.894  5.1870 12.97225       6.177715 
1 1 1 8  11 35 o 135.171 2.1474 184.426  3.8826  137.666 2.3904 132.676 3.5681 4.989792       4.294821 
1 1 1 8  11 37 o 30.236  6.4913 9.2702   2.8305  27.839  7.7862 32.633  10.389 -4.793255      12.98255 
1 1 1 8  11 39 o 32.978  6.2461 11.950   3.1495  38.972  7.2335 26.983  10.185 11.98881       12.49226 
1 1 1 8  11 41 o 32.233  6.5433 11.241   3.4039  38.135  7.6877 26.332  10.590 11.80364       13.08653 
1 1 1 8  11 43 f 28.293  7.1161 8.3269   3.6734  30.514  9.6482 26.072  10.463 4.441406       14.23228 
1 1 1 8  11 45 o 25.990  6.7660 6.6301   3.4907  21.011  9.0203 30.969  10.087 -9.958488      13.53193 
1 1 1 8  11 47 o 30.474  6.6400 10.090   3.8570  17.889  8.2314 43.060  10.421 -25.17031      13.27992 
1 1 1 8  11 49 o 21.545  9.3246 5.7732   7.3897  21.545  9.3246 ?       ?      ?              ?        
1 1 1 8  12 0  o 199.780 2.1968 399.276  8.7753  199.780 2.1968 ?       ?      0.000000       0.000000 
1 1 1 8  12 2  o 112.891 1.2103 126.851  1.9233  117.953 1.7620 107.828 1.6598 10.12516       2.420652 
1 1 1 8  12 4  o 195.048 1.6640 380.458  4.5895  192.784 2.3658 197.312 2.3407 -4.528503      3.328068 
1 1 1 8  12 6  o 366.386 2.3449 1340.58  12.128  374.294 3.3934 358.478 3.2371 15.81564       4.689718 
1 1 1 8  12 8  o 295.741 1.9601 874.555  8.1964  298.893 2.7814 292.589 2.7624 6.304504       3.920102 
1 1 1 8  12 10 o 396.379 2.5543 1571.39  14.314  395.696 3.5600 397.062 3.6640 -1.366608      5.108684 
1 1 1 8  12 12 o 340.426 2.2539 1156.08  10.809  331.637 3.0639 349.215 3.3064 -17.57785      4.507714 
1 1 1 8  12 14 o 174.463 1.3691 304.396  3.3771  177.276 1.9214 171.650 1.9508 5.625275       2.738115 
1 1 1 8  12 16 o 534.528 3.4629 2861.28  26.140  528.352 5.0591 540.705 4.7300 -12.35278      6.925890 
1 1 1 8  12 18 o 300.318 2.2409 898.274  9.3768  293.776 2.8692 306.860 3.4429 -13.08362      4.481732 
1 1 1 8  12 20 o 244.816 2.4330 602.791  7.7382  247.525 2.5423 242.108 4.1492 5.416977       4.866085 
1 1 1 8  12 22 o 33.011  4.5274 11.151   2.0003  33.436  5.1800 32.586  7.4267 0.8496284      9.054733 
1 1 1 8  12 24 o 125.798 2.0482 159.742  3.3362  128.112 2.1180 123.484 3.5065 4.628021       4.096481 
1 1 1 8  12 26 o 193.828 2.6751 376.390  7.3315  191.135 3.8058 196.521 3.7603 -5.385422      5.350135 
1 1 1 8  12 28 o 246.076 3.1806 608.080  10.710  247.133 3.7844 245.019 5.1130 2.114700       6.361227 
1 1 1 8  12 30 o 46.454  4.7504 23.530   2.6737  52.995  4.2486 39.913  8.4980 13.08149       9.500864 
1 1 1 8  12 32 o 134.129 2.7271 179.992  4.4255  133.588 2.5066 134.671 4.8442 -1.083252      5.454289 
1 1 1 8  12 34 o 68.415  3.2881 46.665   2.9369  67.161  3.5244 69.670  5.5520 -2.509155      6.576184 
1 1 1 8  12 36 o 33.468  5.9621 12.125   2.7931  36.479  6.7423 30.457  9.8350 6.022678       11.92418 
1 1 1 8  12 38 o 42.173  5.0841 18.720   2.7931  43.252  5.4726 41.094  8.5698 2.157791       10.16812 
1 1 1 8  12 40 o 34.943  6.6127 13.141   3.2678  31.078  8.7391 38.808  9.9267 -7.730362      13.22540 
1 1 1 8  12 42 o 33.681  6.8490 12.910   3.5415  37.511  8.5054 29.851  10.738 7.660007       13.69810 
1 1 1 8  12 44 o 26.823  7.1737 4.6688   4.4200  31.575  9.7849 22.070  10.493 9.504852       14.34744 
1 1 1 8  12 46 o 21.332  6.5330 2.5544   3.7206  22.567  9.3162 20.097  9.1614 2.470388       13.06604 
1 1 1 8  12 48 o 17.949  6.0598 -4.6372  4.2776  16.365  7.9176 19.534  9.1758 -3.169611      12.11959 
1 1 1 8  13 1  o 191.130 1.5166 365.335  4.0982  191.221 2.1134 191.040 2.1758 0.1815643      3.033273 
1 1 1 8  13 3  o 392.987 2.5553 1543.74  14.194  401.520 3.6234 384.453 3.6040 17.06723       5.110550 
1 1 1 8  13 5  o 126.528 1.2897 159.426  2.2963  121.805 1.7537 131.250 1.8914 -9.444183      2.579327 
1 1 1 8  13 7  o 251.178 1.7549 630.248  6.2265  256.532 2.5205 245.823 2.4425 10.70917       3.509819 
1 1 1 8  13 9  o 364.336 2.4101 1327.73  12.403  364.632 3.3091 364.041 3.5048 0.5902710      4.820130 
1 1 1 8  13 11 o 444.572 2.7230 1977.28  17.117  441.929 3.8930 447.216 3.8082 -5.286835      5.445916 
1 1 1 8  13 13 o 306.141 1.9593 935.121  8.4615  296.536 2.7062 315.746 2.8341 -19.21014      3.918596 
1 1 1 8  13 15 o 229.446 1.7182 526.391  5.5591  228.581 2.3236 230.312 2.5318 -1.731567      3.436438 
1 1 1 8  13 17 o 412.781 2.5911 1704.69  15.124  414.275 3.6930 411.287 3.6356 2.987854       5.182229 
1 1 1 8  13 19 o 347.528 2.4508 1208.05  11.839  346.945 3.0784 348.111 3.8144 -1.166412      4.901693 
1 1 1 8  13 21 o 165.147 1.9966 265.644  4.3003  155.802 2.1862 174.493 3.3417 -18.69093      3.993290 
1 1 1 8  13 23 o 78.549  2.2861 61.469   2.5284  83.542  3.2480 73.556  3.2180 9.986214       4.572151 
1 1 1 8  13 25 o 40.187  4.6996 16.583   2.5298  41.260  5.4570 39.114  7.6529 2.146149       9.399274 
1 1 1 8  13 27 o 49.313  4.5402 22.335   2.8086  41.401  5.0201 57.224  7.5666 -15.82334      9.080412 
1 1 1 8  13 29 o 71.588  3.0078 52.232   2.6603  73.618  2.8232 69.558  5.3119 4.059952       6.015518 
1 1 1 8  13 31 o 28.770  6.0388 8.3893   2.7035  31.961  7.0532 25.578  9.8041 6.383331       12.07757 
1 1 1 8  13 33 o 176.477 2.2597 311.030  5.3017  174.732 2.5111 178.221 3.7577 -3.488861      4.519455 
1 1 1 8  13 35 o 53.748  3.9591 29.563   2.8889  55.820  4.5508 51.675  6.4798 4.144417       7.918177 
1 1 1 8  13 37 o 86.788  3.2183 75.283   3.6190  84.808  3.4037 88.768  5.4631 -3.960373      6.436700 
1 1 1 8  13 39 o 65.618  3.8459 43.750   3.4977  64.975  4.7980 66.260  6.0119 -1.284996      7.691864 
1 1 1 8  13 41 o 28.794  7.2342 8.3554   3.6625  29.385  9.3048 28.202  11.080 1.183031       14.46845 
1 1 1 8  13 43 o 26.359  7.0968 5.2718   3.9073  19.607  8.7599 33.110  11.168 -13.50244      14.19359 
1 1 1 8  13 45 o 17.741  5.7243 -5.3973  3.6251  20.578  8.7247 14.903  7.4129 5.675142       11.44862 
1 1 1 8  13 47 o 17.872  5.9169 -2.8361  3.6371  14.684  7.1095 21.060  9.4601 -6.376008      11.83377 
1 1 1 8  14 0  o 609.888 5.2451 3721.19  63.967  609.888 5.2451 ?       ?      0.000000       0.000000 
1 1 1 8  14 2  o 214.715 1.6435 459.455  4.9737  206.126 2.2687 223.305 2.3785 -17.17920      3.286986 
1 1 1 8  14 4  o 181.857 1.5499 330.814  3.9802  182.477 2.1198 181.238 2.2617 1.238892       3.099760 
1 1 1 8  14 6  o 634.676 3.7605 4030.16  33.729  635.046 5.2001 634.305 5.4337 0.7406006      7.521020 
1 1 1 8  14 8  o 233.535 1.7478 544.854  5.7640  229.396 2.4160 237.675 2.5262 -8.279205      3.495565 
1 1 1 8  14 10 o 438.050 2.8005 1919.17  17.345  431.252 3.9626 444.848 3.9583 -13.59622      5.600904 
1 1 1 8  14 12 o 453.856 2.7838 2060.59  17.867  451.676 3.9240 456.036 3.9498 -4.360046      5.567655 
1 1 1 8  14 14 o 419.854 2.7041 1761.81  16.003  415.006 3.6586 424.702 3.9829 -9.695923      5.408271 
1 1 1 8  14 16 o 136.805 1.3727 186.992  2.6507  134.844 1.8838 138.767 1.9970 -3.922714      2.745311 
1 1 1 8  14 18 o 367.162 2.5489 1347.36  12.639  365.924 2.9345 368.399 4.1685 -2.475189      5.097854 
1 1 1 8  14 20 o 260.321 2.4429 678.441  8.9505  261.042 3.2511 259.599 3.6472 1.442993       4.885840 
1 1 1 8  14 22 o 32.781  6.0823 11.206   2.8505  32.900  8.2542 32.663  8.9356 0.2363968      12.16453 
1 1 1 8  14 24 o 34.475  5.3703 11.662   2.4427  27.228  7.1265 41.722  8.0357 -14.49410      10.74054 
1 1 1 8  14 26 o 320.549 2.9369 1030.43  12.698  321.008 3.3631 320.089 4.8157 0.9195557      5.873810 
1 1 1 8  14 28 o 60.983  3.6664 37.235   3.0106  60.510  4.1980 61.456  6.0122 -0.9465752     7.332811 
1 1 1 8  14 30 o 232.128 2.5949 541.208  8.1020  233.179 2.9463 231.076 4.2723 2.103195       5.189709 
1 1 1 8  14 32 o 72.990  3.3602 52.620   3.0751  70.674  3.3492 75.306  5.8264 -4.631920      6.720434 
1 1 1 8  14 34 f 21.406  5.8223 2.3436   2.6189  17.233  7.5507 25.578  8.8648 -8.345442      11.64465 
1 1 1 8  14 36 o 24.447  5.7586 3.1987   3.0146  30.962  7.8237 17.933  8.4520 13.02964       11.51722 
1 1 1 8  14 38 o 35.076  6.4512 13.556   3.2471  38.461  7.6263 31.691  10.407 6.769632       12.90242 
1 1 1 8  14 40 o 24.021  6.6596 3.7526   3.4270  25.882  9.1213 22.159  9.7059 3.722780       13.31925 
1 1 1 8  14 42 o 24.665  7.2103 3.7268   3.9422  21.432  9.0621 27.897  11.218 -6.464155      14.42066 
1 1 1 8  14 44 o 26.832  7.1313 7.3800   3.6247  21.179  8.7917 32.485  11.231 -11.30561      14.26262 
1 1 1 8  14 46 o 17.790  5.9120 -4.4830  3.9534  19.389  8.7717 16.190  7.9287 3.199780       11.82397 
1 1 1 8  14 48 o 22.383  7.4866 3.2915   6.3110  21.579  10.383 23.187  10.788 -1.607590      14.97316 
1 1 1 8  15 1  o 343.706 2.3166 1179.85  11.222  348.817 3.4095 338.595 3.1373 10.22162       4.633273 
1 1 1 8  15 3  o 412.505 2.6420 1700.58  15.401  402.089 3.7187 422.921 3.7540 -20.83252      5.284075 
1 1 1 8  15 5  o 369.553 2.4351 1364.09  12.706  361.184 3.3727 377.922 3.5135 -16.73865      4.870294 
1 1 1 8  15 7  o 259.586 1.8159 673.103  6.6580  265.567 2.6087 253.605 2.5269 11.96204       3.631869 
1 1 1 8  15 9  o 302.416 2.1061 914.826  9.0062  299.743 3.0047 305.088 2.9520 -5.345306      4.212162 
1 1 1 8  15 11 o 189.137 1.6218 358.229  4.3299  195.745 2.2120 182.529 2.3722 13.21693       3.243502 
1 1 1 8  15 13 o 266.237 1.9689 706.961  7.3013  262.430 2.5079 270.045 3.0358 -7.615417      3.937713 
1 1 1 8  15 15 o 162.229 1.7070 261.286  3.8026  157.982 2.0830 166.475 2.7050 -8.491943      3.414055 
1 1 1 8  15 17 o 123.045 1.2969 151.330  2.2382  122.507 1.6965 123.582 1.9621 -1.075569      2.593812 
1 1 1 8  15 19 o 158.335 1.5012 248.619  3.2678  153.457 1.8434 163.213 2.3700 -9.756027      3.002486 
1 1 1 8  15 21 o 174.568 2.2244 307.090  5.3771  179.973 2.7267 169.163 3.5152 10.80923       4.448745 
1 1 1 8  15 23 o 234.551 2.8627 545.263  7.9917  230.866 2.5757 238.236 5.1132 -7.370117      5.725304 
1 1 1 8  15 25 o 17.676  5.4859 -1.4890  2.5354  17.231  7.0861 18.121  8.3766 -0.8891392     10.97176 
1 1 1 8  15 27 o 220.875 2.2895 487.284  6.8741  219.013 2.6887 222.736 3.7065 -3.722397      4.579029 
1 1 1 8  15 29 o 114.863 2.3806 133.616  3.6025  117.729 2.5500 111.997 4.0208 5.731880       4.761202 
1 1 1 8  15 31 o 133.873 2.1963 179.804  3.8980  134.098 2.4109 133.648 3.6718 0.4493561      4.392542 
1 1 1 8  15 33 f 48.519  5.1425 24.203   3.1085  48.681  5.0995 48.357  8.9318 0.3241730      10.28504 
1 1 1 8  15 35 o 85.260  3.2804 72.384   3.7594  81.959  3.8038 88.560  5.3456 -6.600227      6.560798 
1 1 1 8  15 37 o 68.178  3.6931 48.733   3.3436  74.299  3.9628 62.058  6.2330 12.24117       7.386118 
1 1 1 8  15 39 o 26.761  6.7250 6.8447   3.1290  24.179  8.7324 29.343  10.230 -5.164480      13.45003 
1 1 1 8  15 41 o 31.522  7.1189 11.124   3.4453  28.542  9.0376 34.503  11.002 -5.961895      14.23787 
1 1 1 8  15 43 o 23.690  6.7317 4.8660   3.3650  21.944  8.8058 25.436  10.184 -3.492275      13.46343 
1 1 1 8  15 45 o 24.431  7.0790 6.4934   3.9208  24.970  9.6242 23.892  10.384 1.078524       14.15795 
1 1 1 8  15 47 o 19.568  6.4209 1.3050   4.2575  19.244  8.8197 19.893  9.3341 -0.6494102     12.84184 
1 1 1 8  16 0  o 132.646 2.0467 176.083  5.4268  132.646 2.0467 ?       ?      0.000000       0.000000 
1 1 1 8  16 2  o 23.605  4.1914 5.3534   1.5745  15.471  6.1832 31.740  5.6603 -16.26903      8.382752 
1 1 1 8  16 4  o 405.749 2.5707 1646.90  14.751  407.371 3.6138 404.126 3.6571 3.244629       5.141452 
1 1 1 8  16 6  o 611.665 3.6607 3742.98  31.652  616.290 5.2459 607.039 5.1071 9.250671       7.321363 
1 1 1 8  16 8  o 111.508 1.5908 123.420  2.4845  116.813 2.3723 106.204 2.1200 10.60975       3.181561 
1 1 1 8  16 10 o 390.691 2.9158 1527.21  16.097  391.786 4.2144 389.597 4.0306 2.188751       5.831563 
1 1 1 8  16 12 o 280.620 2.0331 788.058  8.0304  281.623 2.7060 279.617 3.0351 2.005890       4.066216 
1 1 1 8  16 14 o 88.690  1.5653 78.689   1.9629  89.764  2.1867 87.616  2.2404 2.148132       3.130656 
1 1 1 8  16 16 o 155.196 1.5834 241.502  3.4601  151.214 2.3671 159.178 2.1036 -7.963898      3.166761 
1 1 1 8  16 18 o 131.610 1.5373 173.949  2.7865  133.589 1.8583 129.630 2.4495 3.959229       3.074613 
1 1 1 8  16 20 o 139.712 1.4909 196.752  2.8127  142.819 1.6978 136.604 2.4512 6.215378       2.981773 
1 1 1 8  16 22 o 81.628  2.3403 67.594   1.8113  82.735  1.4654 80.522  4.4453 2.213394       4.680560 
1 1 1 8  16 24 o 71.243  2.9188 47.932   2.4698  65.149  2.7471 77.337  5.1509 -12.18760      5.837641 
1 1 1 8  16 26 o 153.054 2.1315 235.741  4.5017  156.115 2.5886 149.993 3.3871 6.122070       4.263068 
1 1 1 8  16 28 o 47.750  4.9663 23.589   3.0063  49.231  5.0426 46.269  8.5573 2.961441       9.932503 
1 1 1 8  16 30 f 97.730  3.1017 96.282   4.2691  100.727 4.1267 94.732  4.6316 5.995354       6.203378 
1 1 1 8  16 32 o 33.307  6.8682 11.486   3.3087  33.657  7.9979 32.958  11.168 0.6987000      13.73641 
1 1 1 8  16 34 o 119.840 2.4521 144.399  3.8980  119.880 2.6969 119.799 4.0962 0.8082581E-01  4.904296 
1 1 1 8  16 36 o 55.591  4.2529 31.710   3.2087  56.208  4.9301 54.973  6.9313 1.235516       8.505811 
1 1 1 8  16 38 o 28.709  6.9853 7.9353   3.3475  23.900  8.8798 33.518  10.785 -9.618229      13.97055 
1 1 1 8  16 40 o 40.052  6.6733 18.446   3.6389  42.944  6.9907 37.160  11.369 5.784054       13.34667 
1 1 1 8  16 42 o 19.304  6.3526 -3.8746  3.9396  16.437  7.7279 22.171  10.085 -5.734312      12.70510 
1 1 1 8  16 44 o 23.294  7.0839 4.6547   4.1394  22.693  9.4699 23.895  10.538 -1.202518      14.16779 
1 1 1 8  16 46 o 23.169  6.9619 5.9448   4.0765  24.454  9.7492 21.884  9.9411 2.569891       13.92376 
1 1 1 8  17 1  o 233.701 1.8443 546.590  6.0895  236.888 2.5346 230.513 2.6798 6.374924       3.688585 
1 1 1 8  17 3  o 414.509 2.8153 1720.54  16.471  419.808 3.8231 409.211 4.1337 10.59686       5.630581 
1 1 1 8  17 5  o 146.346 1.4639 213.774  3.0241  141.731 2.0367 150.960 2.1034 -9.228882      2.927855 
1 1 1 8  17 7  o 215.215 1.7065 462.202  5.1799  209.169 2.3461 221.262 2.4788 -12.09277      3.412965 
1 1 1 8  17 9  o 91.740  1.8895 83.299   2.4125  96.394  2.8748 87.087  2.4528 9.306725       3.779014 
1 1 1 8  17 11 o 468.341 3.2515 2197.49  21.485  462.841 4.7898 473.841 4.3984 -10.99957      6.502930 
1 1 1 8  17 13 o 176.541 1.5033 311.641  3.7490  175.496 2.0725 177.586 2.1781 -2.090225      3.006577 
1 1 1 8  17 15 o 161.392 1.5059 260.665  3.4348  163.646 2.0814 159.138 2.1767 4.508011       3.011711 
1 1 1 8  17 17 o 282.253 2.4193 795.727  9.3097  280.382 2.8621 284.124 3.9013 -3.741669      4.838582 
1 1 1 8  17 19 o 164.197 1.6414 270.787  3.6638  166.196 1.9106 162.198 2.6695 3.998245       3.282783 
1 1 1 8  17 21 o 293.850 2.1259 861.873  8.5177  291.038 2.5193 296.663 3.4251 -5.625244      4.251792 
1 1 1 8  17 23 o 225.965 2.3470 512.247  6.4865  226.644 2.1906 225.285 4.1515 1.359375       4.693998 
1 1 1 8  17 25 o 87.066  2.6832 77.248   2.8438  89.473  2.4519 84.658  4.7736 4.814827       5.366499 
1 1 1 8  17 27 f 130.435 2.4043 170.627  4.0358  130.641 2.4747 130.229 4.1228 0.4118500      4.808522 
1 1 1 8  17 29 o 152.789 2.8058 235.790  5.2536  154.374 2.6178 151.204 4.9636 3.169891       5.611635 
1 1 1 8  17 31 o 74.606  3.5601 54.705   3.4026  71.126  3.7338 78.086  6.0626 -6.960037      7.120116 
1 1 1 8  17 33 o 131.211 2.5321 175.315  4.4937  136.292 2.8804 126.131 4.1652 10.16106       5.064192 
1 1 1 8  17 35 o 76.653  3.6130 59.290   3.8026  74.670  4.4071 78.636  5.7265 -3.966179      7.226036 
1 1 1 8  17 37 o 21.497  6.5679 0.2771   3.4639  18.851  8.2012 24.143  10.261 -5.292833      13.13577 
1 1 1 8  17 39 o 23.404  6.4990 0.9105   3.4072  15.027  7.1267 31.781  10.870 -16.75382      12.99802 
1 1 1 8  17 41 o 31.331  7.6357 11.711   4.0017  30.212  9.8399 32.450  11.679 -2.238102      15.27139 
1 1 1 8  17 43 f 25.721  7.0108 6.4841   3.7440  18.065  8.1828 33.377  11.386 -15.31226      14.02158 
1 1 1 8  17 45 o 20.255  6.4765 1.4640   3.9292  19.514  8.8027 20.997  9.5023 -1.483242      12.95302 
1 1 1 8  18 0  o 86.843  2.5978 75.629   4.5031  86.843  2.5978 ?       ?      0.000000       0.000000 
1 1 1 8  18 2  o 343.725 2.4739 1183.32  12.007  352.250 3.3762 335.199 3.6169 17.05115       4.947821 
1 1 1 8  18 4  o 186.945 1.6598 349.476  4.3846  186.004 2.2968 187.885 2.3967 -1.881607      3.319605 
1 1 1 8  18 6  o 486.100 3.2622 2359.48  22.248  478.387 4.2962 493.813 4.9103 -15.42584      6.524459 
1 1 1 8  18 8  o 31.993  4.2890 9.8972   1.8371  25.128  6.0394 38.858  6.0915 -13.72939      8.577903 
1 1 1 8  18 10 o 195.492 1.9731 381.764  5.4433  191.672 2.7108 199.313 2.8676 -7.641068      3.946108 
1 1 1 8  18 12 o 242.212 1.8706 585.151  6.3750  236.035 2.5193 248.390 2.7659 -12.35519      3.741242 
1 1 1 8  18 14 o 19.925  4.8091 3.5956   1.6449  18.491  6.8390 21.360  6.7631 -2.869373      9.618262 
1 1 1 8  18 16 o 114.106 1.4513 130.341  2.3378  109.351 2.1118 118.862 1.9914 -9.510902      2.902667 
1 1 1 8  18 18 o 62.445  2.1033 36.561   1.7160  53.494  2.4822 71.395  3.3963 -17.90069      4.206658 
1 1 1 8  18 20 o 130.732 1.5616 171.696  2.8225  132.926 1.9110 128.537 2.4703 4.389603       3.123207 
1 1 1 8  18 22 o 166.093 1.5150 276.576  3.4611  167.255 1.8294 164.931 2.4153 2.323944       3.029900 
1 1 1 8  18 24 o 126.262 1.9311 156.491  2.8441  122.817 1.6922 129.706 3.4718 -6.889603      3.862247 
1 1 1 8  18 26 o 110.467 2.5232 121.617  3.6742  108.965 2.7551 111.969 4.2280 -3.004364      5.046429 
1 1 1 8  18 28 o 52.927  4.5224 28.208   3.1627  52.457  4.9525 53.397  7.5684 -0.9396286     9.044763 
1 1 1 8  18 30 o 99.727  2.4169 100.609  3.2848  102.438 2.8179 97.017  3.9275 5.420326       4.833818 
1 1 1 8  18 32 o 98.810  3.0755 98.820   4.0808  99.892  3.4677 97.727  5.0805 2.165321       6.151083 
1 1 1 8  18 34 o 109.394 2.9432 121.247  4.2534  110.164 3.1968 108.624 4.9428 1.540100       5.886501 
1 1 1 8  18 36 o 42.189  6.3352 19.457   3.4748  44.534  6.3521 39.844  10.963 4.690327       12.67049 
1 1 1 8  18 38 o 31.728  7.2932 10.808   3.8355  34.565  8.8216 28.891  11.617 5.673532       14.58644 
1 1 1 8  18 40 o 26.026  7.0165 5.4583   3.9339  29.484  9.5865 22.567  10.248 6.916622       14.03302 
1 1 1 8  18 42 o 24.665  6.9700 6.6676   3.7206  25.717  9.7045 23.612  10.007 2.105083       13.93991 
1 1 1 8  18 44 o 21.854  6.5864 3.2782   3.9158  24.777  9.6731 18.931  8.9417 5.845661       13.17278 
1 1 1 8  19 1  o 399.306 2.6172 1595.19  14.774  397.005 3.6500 401.607 3.7520 -4.601959      5.234490 
1 1 1 8  19 3  o 33.372  4.0242 11.373   1.8474  31.129  6.1538 35.615  5.1872 -4.486757      8.048391 
1 1 1 8  19 5  o 635.483 4.1909 4046.60  37.442  634.196 6.2903 636.770 5.5396 -2.574219      8.381841 
1 1 1 8  19 7  o 245.629 1.8879 603.771  6.5464  246.819 2.5730 244.439 2.7633 2.379837       3.775729 
1 1 1 8  19 9  o 194.227 1.7978 375.991  4.8981  199.021 2.6978 189.434 2.3771 9.586960       3.595657 
1 1 1 8  19 11 o 164.736 1.5117 271.399  3.5207  161.513 2.1447 167.960 2.1311 -6.446564      3.023454 
1 1 1 8  19 13 o 172.958 1.7730 297.986  4.2807  168.979 2.2891 176.938 2.7082 -7.958893      3.546001 
1 1 1 8  19 15 o 58.696  2.0965 34.514   1.7300  63.366  2.8244 54.025  3.0990 9.340996       4.192967 
1 1 1 8  19 17 o 174.281 1.8774 302.036  4.4574  170.762 2.2314 177.799 3.0198 -7.037292      3.754724 
1 1 1 8  19 19 f 219.598 1.8840 479.432  5.5423  215.785 2.1404 223.411 3.1010 -7.626221      3.767906 
1 1 1 8  19 21 o 206.569 1.7715 423.327  5.0662  199.050 2.2333 214.089 2.7506 -15.03812      3.543071 
1 1 1 8  19 23 o 250.614 1.9652 625.838  6.6135  247.362 2.2406 253.867 3.2292 -6.505188      3.930413 
1 1 1 8  19 25 o 156.991 2.0921 248.384  3.9129  158.445 1.8583 155.536 3.7489 2.909134       4.184227 
1 1 1 8  19 27 o 53.669  4.5570 29.349   3.1803  54.612  4.7571 52.726  7.7741 1.885658       9.114089 
1 1 1 8  19 29 o 75.976  2.9887 57.754   3.1602  74.202  3.8124 77.750  4.6037 -3.548950      5.977353 
1 1 1 8  19 31 o 61.993  5.8529 39.964   4.9106  60.082  9.6090 63.904  6.6853 -3.822636      11.70580 
1 1 1 8  19 33 o 44.608  6.1439 22.129   3.3568  49.133  5.4051 40.082  11.035 9.051285       12.28784 
1 1 1 8  19 35 o 37.631  7.1407 14.837   3.6804  31.093  8.9719 44.170  11.111 -13.07711      14.28147 
1 1 1 8  19 37 o 59.451  5.3044 37.475   4.0637  60.635  5.4272 58.267  9.1156 2.367970       10.60888 
1 1 1 8  19 39 o 19.301  6.2596 -3.1131  3.6437  15.739  7.4150 22.863  10.087 -7.123487      12.51925 
1 1 1 8  19 41 o 19.755  6.2730 -0.1600  3.6276  19.370  8.5744 20.141  9.1587 -0.7715836     12.54598 
1 1 1 8  19 43 o 29.314  7.1540 11.777   4.3921  36.773  10.179 21.855  10.055 14.91858       14.30800 
1 1 1 8  19 45 o 22.174  7.3881 2.7516   5.9517  24.202  11.176 20.147  9.6658 4.054623       14.77610 
1 1 1 8  20 0  o 336.583 3.1567 1133.52  21.245  336.583 3.1567 ?       ?      0.000000       0.000000 
1 1 1 8  20 2  o 163.489 1.5102 266.425  3.4735  158.707 2.0371 168.270 2.2301 -9.562988      3.020445 
1 1 1 8  20 4  o 132.672 1.4967 176.450  2.7997  127.711 2.2151 137.633 2.0134 -9.922226      2.993401 
1 1 1 8  20 6  o 209.063 1.7478 437.139  5.1656  213.328 2.4627 204.798 2.4807 8.530060       3.495539 
1 1 1 8  20 8  o 153.059 1.7619 234.155  3.7963  154.337 2.6185 151.781 2.3583 2.556458       3.523891 
1 1 1 8  20 10 o 93.732  1.7426 87.441   2.2862  90.842  2.2879 96.622  2.6290 -5.780540      3.485142 
1 1 1 8  20 12 o 103.261 1.6867 106.494  2.4261  102.372 2.1430 104.150 2.6053 -1.778290      3.373430 
1 1 1 8  20 14 o 152.432 1.5937 232.446  3.4329  152.979 2.3021 151.885 2.2046 1.094101       3.187438 
1 1 1 8  20 16 o 268.361 2.0373 718.839  7.7086  259.052 2.8080 277.669 2.9524 -18.61688      4.074543 
1 1 1 8  20 18 o 71.805  2.2293 51.001   2.0874  69.940  2.3938 73.670  3.7616 -3.729866      4.458660 
1 1 1 8  20 20 o 216.163 1.8647 468.824  5.5989  218.496 2.3252 213.831 2.9159 4.665665       3.729472 
1 1 1 8  20 24 o 171.102 1.6303 294.407  3.8351  173.880 1.9589 168.325 2.6067 5.555557       3.260692 
1 1 1 8  20 26 o 34.048  5.1848 11.342   1.4031  33.087  2.6173 35.009  10.034 -1.921963      10.36961 
1 1 1 8  20 28 o 84.195  2.7571 70.375   3.0588  81.924  3.0302 86.467  4.6070 -4.543266      5.514239 
1 1 1 8  20 30 o 22.230  6.7625 0.2834   3.6135  19.993  8.4778 24.467  10.538 -4.474051      13.52505 
1 1 1 8  20 32 o 19.469  5.7663 -3.1195  3.2051  23.269  8.6120 15.669  7.6705 7.600056       11.53264 
1 1 1 8  20 34 f 63.778  4.6322 43.157   3.8823  69.047  4.8496 58.509  7.8938 10.53784       9.264474 
1 1 1 8  20 36 o 51.282  5.9292 29.066   3.8826  54.940  5.9897 47.624  10.235 7.316109       11.85850 
1 1 1 8  20 38 o 34.721  6.8862 14.480   3.6054  38.768  8.1505 30.674  11.102 8.093943       13.77247 
1 1 1 8  20 40 o 18.671  6.0539 -2.9772  3.7091  19.750  8.7080 17.591  8.4125 2.158773       12.10782 
1 1 1 8  20 42 o 21.309  6.6695 1.7627   3.9208  16.673  7.8458 25.945  10.788 -9.272078      13.33899 
1 1 1 8  20 44 o 23.048  7.1518 7.3450   4.4428  21.380  9.5040 24.716  10.690 -3.335867      14.30361 
1 1 1 8  21 1  o 201.480 2.0516 406.588  5.7261  200.635 3.2228 202.325 2.5396 -1.690613      4.103134 
1 1 1 8  21 3  o 101.419 1.8051 103.516  2.5662  106.515 2.3306 96.322  2.7571 10.19291       3.610189 
1 1 1 8  21 5  o 266.043 1.9406 707.216  7.2893  271.797 2.8038 260.289 2.6838 11.50894       3.881244 
1 1 1 8  21 7  o 70.901  2.3626 50.300   2.3656  73.790  3.2860 68.012  3.3954 5.778038       4.725111 
1 1 1 8  21 9  o 95.936  1.5133 92.154   2.0458  96.811  2.0276 95.062  2.2471 1.748459       3.026594 
1 1 1 8  21 11 o 344.284 2.7233 1188.00  13.075  345.559 3.4583 343.009 4.2078 2.549896       5.446606 
1 1 1 8  21 13 o 296.796 2.1318 880.525  8.9247  302.457 3.1113 291.134 2.9150 11.32288       4.263520 
1 1 1 8  21 15 o 134.027 1.5698 179.441  2.9595  132.180 2.0965 135.873 2.3369 -3.693069      3.139522 
1 1 1 8  21 17 o 242.930 1.9455 590.425  6.5408  242.274 2.4068 243.586 3.0574 -1.311432      3.891062 
1 1 1 8  21 19 o 57.853  2.3261 33.317   1.8894  55.167  3.1395 60.538  3.4332 -5.370403      4.652205 
1 1 1 8  21 21 o 88.844  1.8432 79.209   2.1317  89.291  1.9397 88.397  3.1349 0.8944702      3.686455 
1 1 1 8  21 23 o 140.947 1.6619 198.761  3.2411  140.439 2.0554 141.455 2.6120 -1.016479      3.323784 
1 1 1 8  21 25 o 72.213  1.8973 51.278   1.8612  68.164  2.2868 76.261  3.0281 -8.097527      3.794602 
1 1 1 8  21 27 o 64.861  2.7545 40.496   1.6728  62.253  1.7620 67.469  5.2197 -5.216034      5.509096 
1 1 1 8  21 29 o 37.969  6.1777 16.299   3.0751  44.256  5.3484 31.681  11.138 12.57506       12.35537 
1 1 1 8  21 31 o 49.231  5.6757 25.426   3.4800  49.320  5.6188 49.143  9.8632 0.1767654      11.35136 
1 1 1 8  21 33 o 71.632  3.8914 53.158   3.4959  73.828  3.7535 69.437  6.8178 4.391182       7.782736 
1 1 1 8  21 35 o 53.617  5.5904 31.689   3.6028  57.528  5.0177 49.706  9.9916 7.821697       11.18082 
1 1 1 8  21 37 o 30.863  6.2106 10.738   3.1175  38.273  8.3756 23.453  9.1725 14.81947       12.42120 
1 1 1 8  21 39 o 66.512  4.6549 48.354   4.1598  66.825  5.2700 66.198  7.6746 0.6266174      9.309768 
1 1 1 8  21 41 o 38.062  7.1176 19.788   3.7838  35.438  9.0817 40.686  10.962 -5.248684      14.23524 
1 1 1 8  21 43 o 22.357  6.7366 5.0926   4.2783  26.100  10.031 18.613  8.9945 7.486862       13.47324 
1 1 1 8  22 0  o 255.977 2.8651 655.723  14.664  255.977 2.8651 ?       ?      0.000000       0.000000 
1 1 1 8  22 2  o 327.250 2.3700 1071.09  10.954  331.842 3.4273 322.657 3.2744 9.184937       4.740041 
1 1 1 8  22 4  o 280.219 2.0760 785.851  8.2268  280.158 2.9262 280.280 2.9455 -0.1220398     4.151959 
1 1 1 8  22 6  o 419.977 3.0054 1763.59  17.577  423.895 4.6442 416.058 3.8159 7.837646       6.010831 
1 1 1 8  22 8  o 215.000 1.7381 462.676  5.2823  219.510 2.4196 210.489 2.4959 9.020706       3.476247 
1 1 1 8  22 10 o 92.716  2.0252 85.956   2.6507  91.194  2.7855 94.237  2.9406 -3.042351      4.050470 
1 1 1 8  22 12 o 223.325 1.7545 498.271  5.5327  231.473 2.4941 215.176 2.4684 16.29779       3.509071 
1 1 1 8  22 14 o 83.834  1.8060 70.095   2.1111  82.294  2.3151 85.375  2.7725 -3.081039      3.611981 
1 1 1 8  22 16 o 45.315  4.2028 22.146   2.2954  50.803  3.7501 39.826  7.5226 10.97732       8.405501 
1 1 1 8  22 18 o 106.501 1.8717 114.308  2.7122  108.743 2.1767 104.260 3.0455 4.483131       3.743457 
1 1 1 8  22 20 o 111.899 1.8195 125.522  2.7334  112.237 2.0575 111.561 3.0015 0.6763153      3.638994 
1 1 1 8  22 22 o 97.389  1.8837 95.829   2.4759  99.819  2.1400 94.960  3.1006 4.858978       3.767417 
1 1 1 8  22 24 o 96.356  1.7946 93.770   2.3371  98.719  2.0469 93.993  2.9482 4.725388       3.589115 
1 1 1 8  22 26 o 91.143  1.6886 83.337   2.0596  91.432  1.8943 90.853  2.7960 0.5786133      3.377224 
1 1 1 8  22 28 o 85.511  3.0392 75.696   2.2925  87.890  1.7079 83.133  5.8334 4.756416       6.078302 
1 1 1 8  22 30 o 80.323  3.9161 66.012   4.1329  81.225  4.1935 79.420  6.6150 1.804985       7.832220 
1 1 1 8  22 32 o 70.306  5.4993 51.962   5.4244  66.296  8.3599 74.316  7.1470 -8.019463      10.99856 
1 1 1 8  22 34 o 52.947  5.4037 30.054   3.4174  54.236  4.8965 51.658  9.6345 2.577751       10.80736 
1 1 1 8  22 36 o 39.780  6.2844 18.502   3.4611  44.606  6.8597 34.954  10.532 9.651276       12.56888 
1 1 1 8  22 38 o 20.545  6.3302 -1.1167  3.7760  24.394  9.7880 16.695  8.0300 7.698687       12.66037 
1 1 1 8  22 40 o 22.528  7.0200 0.7967   3.9574  14.294  6.9199 30.763  12.216 -16.46838      14.03995 
1 1 1 8  22 42 o 20.839  6.7747 3.1774   4.5756  21.014  9.3000 20.664  9.8537 0.3499260      13.54936 
1 1 1 8  23 1  o 98.023  1.9034 96.315   2.6113  97.133  2.9124 98.914  2.4514 -1.780693      3.806740 
1 1 1 8  23 3  o 96.899  1.8212 94.179   2.4811  104.196 2.4379 89.603  2.7061 14.59316       3.642335 
1 1 1 8  23 5  o 307.202 2.4211 938.060  10.339  317.816 3.7239 296.588 3.0950 21.22824       4.842149 
1 1 1 8  23 7  o 135.537 1.6885 183.977  3.2320  137.605 2.3075 133.469 2.4655 4.135223       3.376925 
1 1 1 8  23 9  o 262.611 2.1419 690.593  7.9079  262.982 2.8319 262.240 3.2142 0.7424316      4.283792 
1 1 1 8  23 11 o 180.503 1.7656 325.967  4.4913  179.632 2.3783 181.374 2.6101 -1.741562      3.531145 
1 1 1 8  23 13 o 22.844  5.3167 4.4908   2.1646  27.475  7.5468 18.214  7.4909 9.261055       10.63334 
1 1 1 8  23 15 o 91.193  2.0152 83.245   2.5967  94.166  2.8202 88.221  2.8794 5.945320       4.030455 
1 1 1 8  23 17 o 79.260  2.0532 63.086   2.2508  80.148  2.5211 78.371  3.2413 1.776382       4.106321 
1 1 1 8  23 19 o 108.936 1.8253 118.977  2.6942  109.257 2.1136 108.615 2.9766 0.6424026      3.650686 
1 1 1 8  23 21 f 98.943  2.0129 99.184   2.6545  101.755 2.2127 96.132  3.3631 5.622276       4.025737 
1 1 1 8  23 23 o 95.263  2.0688 90.485   2.5365  94.290  2.1430 96.237  3.5394 -1.946884      4.137612 
1 1 1 8  23 25 o 147.020 1.8013 216.469  3.5857  146.575 2.0875 147.465 2.9362 -0.8899231     3.602689 
1 1 1 8  23 27 o 135.008 1.6832 182.583  3.0903  134.497 1.9745 135.519 2.7265 -1.021469      3.366355 
1 1 1 8  23 29 o 118.357 2.4133 138.925  3.0563  116.449 1.8344 120.266 4.4644 -3.816872      4.826539 
1 1 1 8  23 31 o 34.089  7.2736 12.638   3.8806  37.607  8.4903 30.570  11.813 7.037312       14.54724 
1 1 1 8  23 33 o 41.797  6.3499 21.686   3.5269  52.972  5.2313 30.621  11.572 22.35091       12.69978 
1 1 1 8  23 35 o 54.865  5.7091 32.664   4.1932  53.001  6.5356 56.728  9.3629 -3.727066      11.41829 
1 1 1 8  23 37 o 23.737  6.4801 5.6275   3.0668  21.637  8.6528 25.836  9.6486 -4.198814      12.96023 
1 1 1 8  23 39 o 44.806  6.6333 26.489   4.0331  49.127  7.2860 40.484  11.087 8.642635       13.26657 
1 1 1 8  23 41 o 23.644  6.9883 8.2004   3.9962  24.893  9.7462 22.395  10.018 2.497913       13.97654 
1 1 1 8  24 0  o 66.678  3.2196 44.800   4.2722  66.678  3.2196 ?       ?      0.000000       0.000000 
1 1 1 8  24 2  o 139.683 1.6951 194.463  3.3236  143.663 2.5317 135.704 2.2548 7.958328       3.390220 
1 1 1 8  24 4  o 137.220 1.8585 187.805  3.5896  141.586 2.7320 132.854 2.5204 8.731750       3.717003 
1 1 1 8  24 6  o 167.999 1.6407 281.108  3.8608  163.047 2.1599 172.952 2.4702 -9.904938      3.281303 
1 1 1 8  24 8  o 337.683 2.5433 1139.77  12.025  332.852 3.3128 342.513 3.8599 -9.661102      5.086628 
1 1 1 8  24 10 o 228.606 1.9018 522.651  6.1375  231.879 2.7636 225.334 2.6133 6.545013       3.803569 
1 1 1 8  24 12 o 112.739 1.6845 127.233  2.6842  115.478 2.3497 110.001 2.4142 5.476974       3.368942 
1 1 1 8  24 14 o 118.151 1.7115 138.917  2.8225  121.826 2.6064 114.476 2.2190 7.349762       3.423055 
1 1 1 8  24 16 o 75.820  2.3674 58.154   2.4167  77.793  2.6717 73.847  3.9089 3.945915       4.734720 
1 1 1 8  24 18 o 138.610 1.7410 190.938  3.3436  134.080 2.1960 143.140 2.7023 -9.060013      3.482048 
1 1 1 8  24 20 o 36.804  4.4115 13.811   2.2382  33.754  6.3898 39.855  6.0840 -6.101227      8.822905 
1 1 1 8  24 22 o 67.673  2.6618 45.983   2.4367  67.598  3.0746 67.747  4.3461 -0.1488495     5.323658 
1 1 1 8  24 24 o 188.573 1.8557 354.802  4.8617  184.113 2.3518 193.033 2.8712 -8.920273      3.711400 
1 1 1 8  24 26 o 180.822 1.8450 328.140  4.5901  180.662 2.2369 180.982 2.9348 -0.3191528     3.690066 
1 1 1 8  24 28 o 85.409  1.8306 72.554   2.1194  83.042  2.1552 87.777  2.9597 -4.734901      3.661247 
1 1 1 8  24 30 o 25.779  6.1687 4.9552   1.5330  18.419  4.9201 33.138  11.314 -14.71918      12.33744 
1 1 1 8  24 32 o 40.409  6.9273 17.991   3.7775  34.401  8.9705 46.417  10.558 -12.01612      13.85464 
1 1 1 8  24 34 o 22.444  6.4355 1.3135   3.6028  25.564  9.0291 19.324  9.1728 6.239847       12.87109 
1 1 1 8  24 36 o 36.314  7.4682 17.581   4.1790  40.464  8.9420 32.163  11.964 8.300598       14.93637 
1 1 1 8  24 38 o 19.646  6.1204 -1.4547  3.7675  23.392  9.4364 15.900  7.7968 7.492653       12.24073 
1 1 1 8  24 40 o 27.831  7.4417 13.407   4.2221  30.310  9.6548 25.353  11.327 4.956799       14.88345 
1 1 1 8  25 1  o 163.357 1.7117 266.666  3.9443  166.460 2.4971 160.255 2.3417 6.205505       3.423301 
1 1 1 8  25 3  o 205.254 1.9682 418.094  5.6315  214.282 2.9906 196.225 2.5597 18.05637       3.936432 
1 1 1 8  25 5  o 25.744  5.8839 5.9889   2.6265  20.834  8.3621 30.653  8.2799 -9.818621      11.76783 
1 1 1 8  25 7  o 226.473 2.0877 510.845  6.5630  221.083 2.6374 231.862 3.2369 -10.77844      4.175382 
1 1 1 8  25 9  o 123.417 1.7696 152.302  3.0819  125.375 2.5787 121.459 2.4242 3.916275       3.539221 
1 1 1 8  25 11 o 126.386 1.7517 159.919  3.0908  126.399 2.2381 126.372 2.6954 0.2681732E-01  3.503412 
1 1 1 8  25 13 o 119.370 1.8655 142.655  3.1440  114.079 2.6822 124.660 2.5935 -10.58111      3.730966 
1 1 1 8  25 15 o 84.804  2.2678 71.664   2.6692  82.518  2.8685 87.089  3.5134 -4.571152      4.535666 
1 1 1 8  25 17 o 132.242 1.9361 173.959  3.4453  129.611 2.2271 134.872 3.1676 -5.261108      3.872171 
1 1 1 8  25 19 o 132.691 1.7296 176.357  3.2072  132.646 2.2197 132.737 2.6531 -0.9020996E-01 3.459210 
1 1 1 8  25 21 o 192.174 1.8760 371.921  5.0039  196.115 2.3256 188.233 2.9444 7.881485       3.752044 
1 1 1 8  25 23 o 104.140 2.1221 109.143  3.0280  104.897 2.5317 103.383 3.4064 1.513687       4.244210 
1 1 1 8  25 25 o 82.003  2.5243 69.635   2.7140  87.565  2.6372 76.441  4.3050 11.12479       5.048531 
1 1 1 8  25 27 o 40.175  4.2651 17.531   2.0260  43.986  3.6750 36.363  7.6979 7.623390       8.530191 
1 1 1 8  25 29 o 32.826  4.0929 10.962   1.8226  28.553  5.6605 37.100  5.9133 -8.547171      8.185864 
1 1 1 8  25 31 o 36.898  6.0942 18.012   1.6702  44.552  2.2029 29.243  11.988 15.30857       12.18848 
1 1 1 8  25 33 o 51.845  7.8380 33.341   5.5698  53.441  10.964 50.249  11.204 3.192238       15.67596 
1 1 1 8  25 35 o 20.706  6.5691 -1.2162  4.1681  21.906  9.1951 19.507  9.3843 2.399096       13.13826 
1 1 1 8  25 37 o 18.465  6.0773 -1.6667  3.6437  15.957  7.4902 20.974  9.5723 -5.016808      12.15453 
1 1 1 8  25 39 o 24.943  6.5919 8.2634   3.6658  18.065  8.4118 31.822  10.152 -13.75720      13.18387 
1 1 1 8  26 0  o 11.116  7.6093 -2.6557  5.0804  11.116  7.6093 ?       ?      0.000000       0.000000 
1 1 1 8  26 2  o 158.384 1.9206 251.101  4.2993  154.232 2.7325 162.535 2.6995 -8.302170      3.841114 
1 1 1 8  26 4  o 204.045 1.9662 417.042  5.6289  203.685 2.9761 204.406 2.5702 -0.7205658     3.932324 
1 1 1 8  26 6  o 122.021 1.8551 148.328  3.1831  116.853 2.5197 127.189 2.7235 -10.33582      3.710279 
1 1 1 8  26 8  o 148.028 1.9882 219.590  4.1495  148.780 2.6775 147.277 2.9400 1.502777       3.976477 
1 1 1 8  26 10 o 74.711  2.4620 56.039   2.5967  75.876  3.3479 73.547  3.6109 2.328255       4.924083 
1 1 1 8  26 12 o 163.105 1.8034 266.463  4.1495  163.305 2.6514 162.904 2.4453 0.4012604      3.606895 
1 1 1 8  26 14 o 34.964  4.9060 12.791   2.3093  34.767  6.2009 35.160  7.6042 -0.3928032     9.812013 
1 1 1 8  26 16 o 73.687  2.5698 53.512   2.6147  68.365  3.2935 79.010  3.9458 -10.64552      5.139640 
1 1 1 8  26 18 o 46.322  4.2998 23.173   2.3916  51.401  3.8188 41.242  7.7052 10.15923       8.599593 
1 1 1 8  26 20 o 187.165 2.0936 350.871  5.4335  185.401 2.6157 188.929 3.2697 -3.527985      4.187199 
1 1 1 8  26 22 o 180.788 1.8217 328.422  4.6387  182.908 2.4304 178.667 2.7143 4.241226       3.643361 
1 1 1 8  26 24 f 62.540  3.1605 39.240   2.6737  60.891  3.6977 64.188  5.1267 -3.297329      6.321076 
1 1 1 8  26 26 o 56.221  3.4373 32.417   2.5540  57.580  3.7098 54.862  5.7877 2.717442       6.874625 
1 1 1 8  26 28 o 68.592  2.4944 46.015   2.2873  62.456  2.9580 74.728  4.0174 -12.27179      4.988860 
1 1 1 8  26 30 o 16.595  4.8590 0.5031   1.9612  17.967  6.7967 15.224  6.9460 2.742220       9.718095 
1 1 1 8  26 32 o 35.903  7.5234 15.921   3.9582  36.479  8.7942 35.326  12.209 1.153492       15.04689 
1 1 1 8  26 34 o 52.674  6.2452 34.790   4.0782  58.834  5.7896 46.515  11.068 12.31889       12.49043 
1 1 1 8  26 36 o 25.754  7.1380 7.7582   4.3318  29.951  10.087 21.556  10.102 8.395020       14.27593 
1 1 1 8  26 38 o 18.470  6.1976 -0.5643  3.8355  15.009  7.1870 21.931  10.099 -6.922498      12.39529 
1 1 1 8  27 1  o 117.146 2.2875 138.568  3.7517  108.838 3.5009 125.455 2.9452 -16.61719      4.574991 
1 1 1 8  27 3  o 123.790 1.6809 152.963  2.9342  118.460 2.3393 129.120 2.4145 -10.65932      3.361847 
1 1 1 8  27 5  o 63.220  2.7747 39.972   2.4704  60.863  3.7942 65.577  4.0497 -4.713833      5.549458 
1 1 1 8  27 7  o 75.230  2.4576 56.993   2.5864  73.372  3.7769 77.087  3.1455 -3.715218      4.915142 
1 1 1 8  27 9  o 131.322 2.0670 172.198  3.8129  135.099 3.0768 127.546 2.7611 7.552292       4.134048 
1 1 1 8  27 11 o 28.966  5.4369 8.6731   2.5031  36.102  6.8057 21.830  8.4806 14.27144       10.87370 
1 1 1 8  27 13 o 141.798 1.8575 201.362  3.7217  146.291 2.6046 137.306 2.6489 8.985123       3.714955 
1 1 1 8  27 15 o 157.620 1.8770 249.473  4.1174  159.012 2.3600 156.229 2.9193 2.783356       3.753925 
1 1 1 8  27 17 o 116.410 1.8703 136.347  3.0424  118.642 2.3844 114.177 2.8821 4.465080       3.740580 
1 1 1 8  27 19 o 101.855 2.4060 106.712  3.1868  107.124 2.4791 96.585  4.1244 10.53864       4.812090 
1 1 1 8  27 21 o 65.104  2.9193 41.427   2.5204  59.999  3.3677 70.208  4.7694 -10.20859      5.838535 
1 1 1 8  27 23 o 93.773  2.3235 89.056   2.9691  95.708  2.7144 91.838  3.7718 3.869995       4.646995 
1 1 1 8  27 25 o 50.131  4.2049 26.677   2.7535  54.598  4.3354 45.665  7.2063 8.933422       8.409901 
1 1 1 8  27 27 o 24.400  6.0614 5.5474   2.5554  20.249  7.7449 28.550  9.3262 -8.300690      12.12278 
1 1 1 8  27 29 o 20.438  5.7315 2.9291   2.4155  20.101  7.4975 20.775  8.6712 -0.6739254     11.46309 
1 1 1 8  27 31 o 39.655  3.4324 16.522   1.8894  40.764  4.2488 38.545  5.3920 2.218472       6.864816 
1 1 1 8  27 33 o 30.097  7.2932 12.283   4.1134  34.558  9.3115 25.635  11.228 8.923580       14.58647 
1 1 1 8  27 35 o 21.689  6.5386 2.6516   3.9339  24.426  9.3847 18.952  9.1073 5.473686       13.07728 
1 1 1 8  27 37 o 18.961  6.2198 -2.5588  4.3432  20.111  8.6731 17.811  8.9175 2.299490       12.43964 
1 1 1 8  28 0  o 90.317  3.9151 82.211   7.0433  90.317  3.9151 ?       ?      0.000000       0.000000 
1 1 1 8  28 2  o 153.457 1.8355 235.693  3.9760  151.100 2.5217 155.814 2.6677 -4.714081      3.670960 
1 1 1 8  28 4  f 117.779 1.8827 138.645  3.0652  116.585 2.3274 118.974 2.9600 -2.388992      3.765467 
1 1 1 8  28 6  o 53.215  3.7790 28.655   2.8242  55.022  4.9315 51.407  5.7275 3.614849       7.558013 
1 1 1 8  28 8  o 43.441  4.0695 18.915   2.4610  37.498  6.0045 49.385  5.4944 -11.88718      8.138947 
1 1 1 8  28 10 o 83.106  2.3439 69.522   2.7420  79.109  3.5029 87.104  3.1152 -7.994522      4.687733 
1 1 1 8  28 12 o 160.024 1.9581 256.976  4.3937  160.849 2.5483 159.198 2.9737 1.650970       3.916232 
1 1 1 8  28 14 o 133.322 2.1620 177.933  4.0355  131.032 2.8198 135.612 3.2780 -4.579514      4.323985 
1 1 1 8  28 16 o 48.189  4.4913 25.329   2.6909  55.479  4.2665 40.898  7.9048 14.58094       8.982671 
1 1 1 8  28 18 o 113.404 2.0101 129.786  3.1976  117.424 2.6058 109.383 3.0612 8.041229       4.020105 
1 1 1 8  28 20 o 68.871  3.5058 50.843   2.9080  75.523  3.0577 62.219  6.3097 13.30420       7.011546 
1 1 1 8  28 22 o 45.292  5.3594 21.459   2.7436  45.525  4.4385 45.060  9.7566 0.4655533      10.71873 
1 1 1 8  28 24 o 60.841  3.6138 37.078   2.9201  57.593  4.1099 64.090  5.9453 -6.497036      7.227599 
1 1 1 8  28 26 o 40.721  5.0211 17.757   2.5815  40.964  5.0736 40.477  8.6663 0.4873352      10.04223 
1 1 1 8  28 28 o 47.050  4.3715 23.320   2.5831  47.122  4.2881 46.978  7.6193 0.1437340      8.743088 
1 1 1 8  28 30 o 18.272  5.4726 1.4227   2.3134  16.238  6.8491 20.306  8.5374 -4.068054      10.94518 
1 1 1 8  28 32 o 15.118  4.6565 0.0249   1.8403  12.434  5.6998 17.802  7.3650 -5.368859      9.313006 
1 1 1 8  28 34 o 22.722  7.4356 2.1621   5.6433  22.530  10.740 22.913  10.286 -0.3830452     14.87120 
1 1 1 8  28 36 o 26.204  7.6223 10.760   4.2892  21.812  9.2616 30.596  12.109 -8.783829      15.24454 
1 1 1 8  29 1  o 95.325  2.7904 91.728   3.6859  97.428  3.4369 93.222  4.3970 4.206070       5.580836 
1 1 1 8  29 3  o 150.003 2.0838 225.329  4.3117  149.324 2.5517 150.682 3.2950 -1.358093      4.167545 
1 1 1 8  29 5  o 103.682 2.3632 107.918  3.4630  104.162 3.2701 103.203 3.4124 0.9594193      4.726304 
1 1 1 8  29 7  o 113.107 2.0768 128.306  3.3133  112.791 2.8152 113.423 3.0540 -0.6324158     4.153571 
1 1 1 8  29 9  o 154.741 1.9122 239.758  4.1758  151.256 2.6336 158.226 2.7730 -6.969696      3.824362 
1 1 1 8  29 11 o 168.844 1.8312 286.078  4.3357  169.411 2.3855 168.277 2.7789 1.133972       3.662378 
1 1 1 8  29 13 o 133.121 2.4990 178.237  4.7008  135.003 3.5922 131.239 3.4752 3.763641       4.998082 
1 1 1 8  29 15 o 112.428 2.0979 126.816  3.1895  111.887 2.4251 112.970 3.4240 -1.082664      4.195822 
1 1 1 8  29 17 o 27.682  6.0755 7.4213   2.9509  33.063  7.6535 22.301  9.4379 10.76184       12.15108 
1 1 1 8  29 19 o 100.426 2.5938 103.318  3.4039  104.211 2.7146 96.640  4.4207 7.571144       5.187637 
1 1 1 8  29 21 o 101.988 2.4484 105.104  3.4239  102.434 2.9307 101.542 3.9230 0.8922958      4.896896 
1 1 1 8  29 23 o 79.884  3.0934 65.077   3.2408  80.248  3.3093 79.519  5.2273 0.7292328      6.186806 
1 1 1 8  29 25 o 47.268  4.3517 21.939   2.6042  41.696  4.7076 52.840  7.3204 -11.14348      8.703391 
1 1 1 8  29 27 o 24.555  5.9848 6.5192   2.5428  25.735  8.0732 23.374  8.8370 2.360037       11.96957 
1 1 1 8  29 29 o 21.647  5.6646 3.9909   2.5365  24.588  7.5196 18.705  8.4738 5.883581       11.32917 
1 1 1 8  29 31 o 15.120  4.9440 -2.2935  2.4562  14.726  6.6481 15.514  7.3194 -0.7875242     9.887950 
1 1 1 8  29 33 o 21.998  5.2766 5.7902   1.8797  20.475  6.6565 23.520  8.1890 -3.045620      10.55312 
1 1 1 8  30 0  o 19.599  10.631 5.6578   5.7732  19.599  10.631 ?       ?      0.000000       0.000000 
1 1 1 8  30 2  o 49.148  4.8325 23.896   3.2468  43.943  6.1749 54.353  7.4352 -10.41090      9.664944 
1 1 1 8  30 4  o 20.704  6.0779 1.1513   2.9398  22.443  8.9891 18.965  8.1828 3.477709       12.15572 
1 1 1 8  30 6  o 66.298  2.9972 44.194   2.7640  67.193  4.6397 65.404  3.7956 1.788780       5.994481 
1 1 1 8  30 8  o 72.126  2.9199 52.443   2.9595  72.444  4.3831 71.809  3.8591 0.6349258      5.839851 
1 1 1 8  30 10 o 57.767  3.4995 33.916   2.7865  58.462  4.2464 57.072  5.5637 1.389999       6.999011 
1 1 1 8  30 12 o 106.849 2.2227 115.136  3.3475  103.218 3.3000 110.481 2.9786 -7.262901      4.445439 
1 1 1 8  30 14 o 122.371 2.1333 149.973  3.5839  120.545 2.5862 124.198 3.3933 -3.653130      4.266533 
1 1 1 8  30 16 o 72.760  3.6514 51.954   2.9974  69.761  3.0620 75.759  6.6299 -5.997864      7.302802 
1 1 1 8  30 18 o 43.203  5.9730 21.725   2.9760  49.773  4.5237 36.633  11.056 13.13986       11.94603 
1 1 1 8  30 20 o 40.279  5.5933 18.701   2.9121  47.361  5.2416 33.196  9.8825 14.16485       11.18656 
1 1 1 8  30 22 o 59.435  3.9487 37.434   3.1290  63.084  4.3013 55.786  6.6233 7.297775       7.897443 
1 1 1 8  30 24 o 66.630  3.4165 45.927   3.0063  66.817  3.7154 66.443  5.7347 0.3736725      6.833062 
1 1 1 8  30 26 o 28.849  6.3593 9.5321   2.6751  27.281  7.4223 30.417  10.328 -3.136086      12.71854 
1 1 1 8  30 28 o 26.885  6.2657 9.0459   2.6737  25.465  7.9683 28.305  9.6717 -2.839544      12.53140 
1 1 1 8  30 30 o 22.581  6.0499 6.0253   2.5725  21.772  7.7593 23.391  9.2842 -1.618998      12.09974 
1 1 1 8  30 32 o 25.063  5.4828 8.3376   2.4167  30.160  7.0169 19.965  8.4265 10.19453       10.96554 
1 1 1 8  31 1  o 24.412  6.4263 4.9383   2.8911  23.735  8.2859 25.088  9.8251 -1.353441      12.85259 
1 1 1 8  31 3  f 61.271  4.0999 38.336   3.4753  61.830  5.0421 60.712  6.4663 1.118629       8.199731 
1 1 1 8  31 5  o 27.586  6.4016 7.7350   2.8762  29.036  9.3160 26.135  8.7824 2.900826       12.80312 
1 1 1 8  31 7  o 143.271 2.1114 206.240  4.2527  142.238 2.8006 144.304 3.1606 -2.065720      4.222880 
1 1 1 8  31 9  f 104.072 2.1383 108.962  3.1461  102.136 3.0523 106.008 2.9953 -3.871651      4.276537 
1 1 1 8  31 11 o 100.401 2.5858 101.766  3.6658  97.749  3.7799 103.053 3.5294 -5.303505      5.171523 
1 1 1 8  31 13 o 90.680  2.5339 82.601   3.0895  89.776  2.8938 91.585  4.1604 -1.809319      5.067886 
1 1 1 8  31 15 o 69.783  3.1810 49.911   2.7039  71.118  2.9224 68.447  5.6512 2.671249       6.362081 
1 1 1 8  31 17 o 28.569  6.5226 8.6543   2.8591  27.197  7.9775 29.941  10.322 -2.743927      13.04522 
1 1 1 8  31 19 o 27.808  6.3595 8.1732   2.8618  29.783  7.5471 25.833  10.238 3.950514       12.71896 
1 1 1 8  31 21 o 50.883  4.8246 26.060   2.9747  47.118  4.6560 54.648  8.4515 -7.529961      9.649104 
1 1 1 8  31 23 o 18.626  5.8396 -0.3311  2.9509  17.528  7.6152 19.725  8.8550 -2.197786      11.67917 
1 1 1 8  31 25 o 44.314  5.8380 24.790   3.1627  53.782  4.8305 34.846  10.630 18.93606       11.67593 
1 1 1 8  31 27 o 19.315  5.8720 1.7815   2.8591  19.293  7.7751 19.337  8.8017 -0.4439354E-01 11.74407 
1 1 1 8  31 29 o 19.018  5.8540 1.9999   2.8757  18.646  7.6799 19.390  8.8373 -0.7439022     11.70807 
1 1 1 8  31 31 o 32.314  5.7805 13.895   2.5540  28.945  7.3609 35.683  8.9149 -6.738237      11.56109 
1 1 1 8  32 0  o 64.991  5.9567 43.761   7.6207  64.991  5.9567 ?       ?      0.000000       0.000000 
1 1 1 8  32 2  o 78.234  2.8194 61.849   3.1165  77.592  4.0923 78.876  3.8793 -1.283920      5.638746 
1 1 1 8  32 4  o 95.623  2.5431 91.701   3.3941  93.051  3.2883 98.195  3.8804 -5.143074      5.086292 
1 1 1 8  32 6  o 142.103 2.0562 203.157  4.1260  144.008 2.8063 140.198 3.0061 3.810074       4.112383 
1 1 1 8  32 8  o 106.262 2.3628 113.794  3.5503  106.065 3.3747 106.459 3.3080 -0.3936844     4.725642 
1 1 1 8  32 10 o 94.573  2.5038 90.286   3.3475  92.604  3.5535 96.541  3.5283 -3.936150      5.007623 
1 1 1 8  32 12 o 60.012  3.3494 36.913   2.5815  60.950  3.4099 59.074  5.7660 1.876343       6.698869 
1 1 1 8  32 14 o 47.977  4.7841 23.398   3.1267  43.222  6.0107 52.733  7.4447 -9.510555      9.568285 
1 1 1 8  32 16 o 65.191  3.8687 46.705   3.0588  73.080  3.3969 57.302  6.9518 15.77814       7.737333 
1 1 1 8  32 18 o 104.257 2.8872 111.791  4.0212  106.403 3.2012 102.111 4.8058 4.291496       5.774384 
1 1 1 8  32 20 o 56.813  4.3481 33.955   3.2582  55.658  4.7715 57.968  7.2703 -2.310425      8.696199 
1 1 1 8  32 22 o 21.609  6.2594 3.4879   2.6666  18.986  7.3084 24.232  10.164 -5.246458      12.51878 
1 1 1 8  32 24 o 21.011  6.4867 2.7289   3.2293  17.654  7.6418 24.368  10.484 -6.713667      12.97347 
1 1 1 8  32 26 o 28.119  6.4104 10.466   2.9662  24.212  8.8993 32.026  9.2291 -7.813478      12.82083 
1 1 1 8  32 28 o 20.461  6.1627 3.7201   3.0241  19.651  8.0062 21.270  9.3711 -1.618479      12.32545 
1 1 1 8  33 1  o 22.921  6.4321 2.7660   3.2320  19.576  8.5588 26.266  9.6038 -6.689907      12.86412 
1 1 1 8  33 3  o 47.031  5.0818 23.042   3.3771  46.216  7.3702 47.845  6.9986 -1.628872      10.16362 
1 1 1 8  33 5  o 20.876  6.3724 -0.5196  3.3860  16.918  7.7293 24.833  10.134 -7.914400      12.74485 
1 1 1 8  33 7  o 31.905  6.8215 11.316   3.3485  30.471  9.7425 33.340  9.5508 -2.869297      13.64307 
1 1 1 8  33 9  o 28.933  6.1599 8.7176   3.0021  22.195  8.8980 35.671  8.5207 -13.47539      12.31979 
1 1 1 8  33 11 o 67.281  3.5495 46.452   3.3751  66.684  4.9349 67.879  5.1031 -1.195465      7.098901 
1 1 1 8  33 13 o 73.090  3.1694 54.262   3.1697  70.577  3.8446 75.604  5.0399 -5.026649      6.338888 
1 1 1 8  33 15 o 74.377  3.6440 57.246   3.7543  73.933  4.5291 74.822  5.7098 -0.8894196     7.287964 
1 1 1 8  33 17 o 101.117 3.0626 104.053  3.7961  99.493  2.9013 102.741 5.3944 -3.248520      6.125147 
1 1 1 8  33 19 o 82.743  3.0634 69.233   3.3250  78.425  3.3863 87.061  5.1061 -8.636353      6.126890 
1 1 1 8  33 21 o 42.203  5.8808 20.357   3.0892  36.945  6.6492 47.461  9.7016 -10.51565      11.76151 
1 1 1 8  33 23 o 55.391  3.9044 33.264   2.7981  55.348  4.0680 55.434  6.6654 -0.8570480E-01 7.808733 
1 1 1 8  33 25 o 39.543  6.3115 19.925   3.2753  35.245  7.7452 43.842  9.9675 -8.596672      12.62297 
1 1 1 8  33 27 o 26.042  6.8418 10.187   3.2653  20.876  8.4219 31.208  10.785 -10.33179      13.68353 
1 1 1 8  34 0  o 61.706  5.8026 39.720   7.0433  61.706  5.8026 ?       ?      0.000000       0.000000 
1 1 1 8  34 2  o 99.532  2.6115 100.651  3.6603  101.357 3.4745 97.707  3.8998 3.649803       5.223063 
1 1 1 8  34 4  o 110.513 2.3641 123.645  3.6940  110.013 3.3061 111.014 3.3803 -1.001625      4.728283 
1 1 1 8  34 6  o 62.342  4.2350 40.675   3.7128  62.959  5.5936 61.725  6.3602 1.234108       8.469954 
1 1 1 8  34 8  o 48.081  4.6245 24.163   3.0868  50.520  7.0851 45.641  5.9452 4.879829       9.248959 
1 1 1 8  34 10 f 40.355  6.5096 18.648   3.6041  39.325  8.6044 41.385  9.7705 -2.059681      13.01911 
1 1 1 8  34 12 o 19.063  6.0343 -0.9148  3.1402  17.633  7.6374 20.492  9.3445 -2.858879      12.06856 
1 1 1 8  34 14 o 24.858  7.0287 5.3622   3.5234  23.843  8.7204 25.874  11.026 -2.031036      14.05735 
1 1 1 8  34 16 o 36.126  6.2021 14.206   2.7963  30.041  7.0349 42.211  10.216 -12.16945      12.40417 
1 1 1 8  34 18 o 77.793  3.6381 64.232   3.7085  76.394  3.9297 79.191  6.1238 -2.797150      7.276247 
1 1 1 8  34 20 o 68.966  3.3871 51.123   2.9237  70.853  3.2592 67.079  5.9385 3.774124       6.774131 
1 1 1 8  34 22 o 37.477  7.0175 19.789   3.7319  36.255  9.2137 38.700  10.587 -2.445045      14.03507 
1 1 1 8  34 24 o 23.809  6.6511 7.6283   3.1299  23.215  8.1786 24.402  10.491 -1.187340      13.30227 
1 1 1 8  35 1  o 33.322  6.9027 13.051   3.4601  33.126  9.9839 33.517  9.5346 -0.3914452     13.80533 
1 1 1 8  35 3  o 46.416  5.3298 23.664   3.4023  42.368  8.0577 50.464  6.9786 -8.096420      10.65959 
1 1 1 8  35 5  o 47.696  5.4677 25.641   3.4735  52.555  6.1517 42.838  9.0411 9.717319       10.93549 
1 1 1 8  35 7  o 39.812  5.7287 18.139   3.1165  40.643  7.8070 38.982  8.3860 1.661148       11.45749 
1 1 1 8  35 9  o 52.974  4.9247 30.143   3.6371  47.092  6.8653 58.856  7.0626 -11.76358      9.849483 
1 1 1 8  35 11 o 72.721  3.6044 54.901   3.4309  71.249  3.8894 74.193  6.0694 -2.944710      7.208719 
1 1 1 8  35 13 o 27.802  6.7118 9.1679   3.0903  24.785  8.6696 30.820  10.248 -6.035284      13.42356 
1 1 1 8  35 15 o 29.730  7.2455 11.758   3.5181  26.545  9.0584 32.915  11.311 -6.370056      14.49093 
1 1 1 8  35 17 o 45.291  6.8196 26.376   3.4151  49.034  4.9451 41.548  12.711 7.485447       13.63926 
1 1 1 8  35 19 o 53.265  5.0418 33.015   3.6208  50.581  5.9352 55.948  8.1519 -5.367031      10.08363 
1 1 1 8  35 21 o 47.298  5.0945 25.641   3.1234  42.770  5.6693 51.827  8.4660 -9.057358      10.18890 
1 1 1 8  35 23 o 43.524  5.9297 24.065   3.2950  40.636  6.3932 46.413  9.9885 -5.776657      11.85930 
1 1 1 8  36 0  o 47.594  6.1903 23.901   5.8887  47.594  6.1903 ?       ?      0.000000       0.000000 
1 1 1 8  36 2  o 39.058  6.1613 18.037   3.3073  40.575  8.9212 37.542  8.5005 3.033089       12.32261 
1 1 1 8  36 4  o 21.502  6.2848 -0.6504  3.6867  15.842  7.7003 27.163  9.9347 -11.32132      12.56955 
1 1 1 8  36 6  o 59.481  4.0494 37.930   3.4062  59.821  5.6940 59.142  5.7594 0.6794167      8.098891 
1 1 1 8  36 8  o 42.427  5.7398 21.476   3.3194  42.493  8.0368 42.362  8.1970 0.1315689      11.47960 
1 1 1 8  36 10 o 18.741  5.8475 -1.1744  3.2950  20.411  8.2381 17.070  8.3010 3.340902       11.69500 
1 1 1 8  36 12 o 23.702  6.5340 6.1196   3.0021  23.435  8.0002 23.970  10.333 -0.5352936     13.06792 
1 1 1 8  36 14 o 33.058  7.2841 14.881   3.5697  28.454  9.0404 37.663  11.424 -9.208597      14.56816 
1 1 1 8  36 16 o 49.181  6.6941 31.535   3.7972  51.608  5.4814 46.754  12.215 4.854435       13.38818 
1 1 1 8  36 18 o 41.484  6.7866 24.289   3.6815  45.578  6.3334 37.389  12.005 8.188282       13.57325 
1 1 1 8  36 20 o 70.555  3.8454 56.954   3.6251  73.697  4.2302 67.413  6.4230 6.284195       7.690827 
1 1 1 8  37 1  o 22.932  6.6561 5.3171   3.4630  23.156  9.3971 22.707  9.4292 0.4493408      13.31220 
1 1 1 8  37 3  o 24.140  6.7822 5.7866   3.7384  27.877  9.9602 20.404  9.2079 7.472778       13.56434 
1 1 1 8  37 5  o 36.753  6.3879 18.088   3.6859  46.359  7.2230 27.148  10.538 19.21094       12.77589 
1 1 1 8  37 7  o 48.138  4.9999 26.708   3.3905  50.622  7.1849 45.654  6.9550 4.967884       9.999734 
1 1 1 8  37 9  o 16.237  5.5166 -5.9254  3.5839  15.407  7.2885 17.067  8.2832 -1.659777      11.03326 
1 1 1 8  37 11 o 21.178  6.3663 4.0112   3.3068  21.160  8.5216 21.196  9.4605 -0.3519821E-01 12.73256 
1 1 1 8  37 13 o 21.591  6.5192 3.9335   3.2176  16.883  7.4960 26.298  10.668 -9.415300      13.03835 
1 1 1 8  37 15 o 20.990  6.1880 3.6552   3.4919  24.127  8.8963 17.854  8.6037 6.273176       12.37607 
1 1 1 8  37 17 o 24.854  6.6948 7.6724   3.9131  29.695  9.3910 20.014  9.5440 9.680452       13.38952 
1 1 1 8  38 0  o 57.197  6.6103 36.602   7.3897  57.197  6.6103 ?       ?      0.000000       0.000000 
1 1 1 8  38 2  o 29.983  6.9638 12.900   3.4154  32.746  10.200 27.219  9.4838 5.526619       13.92764 
1 1 1 8  38 4  o 24.404  6.8105 7.6319   3.5315  25.893  9.5858 22.915  9.6769 2.977356       13.62097 
1 1 1 8  38 6  o 26.914  6.5558 9.6990   3.2330  21.967  9.0727 31.860  9.4656 -9.893612      13.11151 
1 1 1 8  38 8  o 16.965  5.7037 -5.5146  3.5064  12.213  6.0882 21.717  9.6469 -9.503662      11.40745 
1 1 1 8  38 10 o 17.882  5.9390 -0.7372  3.6451  15.762  7.4431 20.001  9.2567 -4.239037      11.87798 
1 1 1 8  38 12 o 19.295  6.1007 2.4248   3.3254  18.556  8.0536 20.034  9.1658 -1.478642      12.20130 
1 1 1 8  39 1  o 64.247  4.7024 50.090   4.2691  62.328  6.6691 66.166  6.6312 -3.838329      9.404796 
1 1 1 8  39 3  o 44.890  5.9275 26.194   3.6054  52.436  8.3676 37.344  8.3977 15.09185       11.85490 
1 1 1 8  39 5  o 27.005  7.2403 11.620   3.7963  27.422  10.505 26.587  9.9665 0.8351727      14.48054 
1 1 1 9  1  0  o 181.078 2.1049 328.035  7.6207  181.078 2.1049 ?       ?      0.000000       0.000000 
1 1 1 9  1  2  o 828.067 5.0450 6852.15  57.467  823.816 6.1249 832.318 8.0184 -8.501770      10.09006 
1 1 1 9  1  4  o 314.360 2.3259 985.794  10.182  310.353 2.9577 318.367 3.5905 -8.014099      4.651876 
1 1 1 9  1  6  o 297.402 1.9562 884.669  8.2268  299.159 2.7403 295.645 2.7924 3.513947       3.912447 
1 1 1 9  1  8  o 432.671 2.7173 1872.49  16.624  430.791 3.8060 434.550 3.8794 -3.758606      5.434639 
1 1 1 9  1  10 o 454.069 2.8049 2062.29  18.010  458.212 3.9814 449.927 3.9521 8.285217       5.609896 
1 1 1 9  1  12 o 552.773 3.2494 3056.09  25.397  546.499 4.5848 559.047 4.6058 -12.54865      6.498743 
1 1 1 9  1  14 o 534.611 3.1880 2858.49  24.099  532.464 4.4671 536.758 4.5497 -4.294800      6.376094 
1 1 1 9  1  16 o 468.847 2.8302 2198.83  18.763  465.466 4.0434 472.227 3.9611 -6.760864      5.660326 
1 1 1 9  1  18 o 549.444 3.3385 3006.19  25.223  540.450 4.0699 558.438 5.2931 -17.98724      6.676965 
1 1 1 9  1  20 o 535.145 3.3036 2859.65  24.288  531.414 3.9979 538.877 5.2603 -7.463257      6.607126 
1 1 1 9  1  22 o 430.439 2.7646 1856.25  16.440  432.781 3.3883 428.098 4.3694 4.683258       5.529224 
1 1 1 9  1  24 o 147.083 1.3767 217.379  2.7865  149.696 1.6584 144.470 2.1979 5.226410       2.753330 
1 1 1 9  1  26 f 189.774 1.5287 361.913  4.0454  194.615 1.9282 184.932 2.3726 9.682724       3.057307 
1 1 1 9  1  28 o 65.778  2.0306 43.424   1.6861  66.141  2.0076 65.416  3.5302 0.7250061      4.061099 
1 1 1 9  1  30 o 206.848 1.7533 429.665  4.9313  209.078 2.0433 204.618 2.8497 4.460419       3.506558 
1 1 1 9  1  32 o 107.682 1.5835 114.843  2.3176  104.319 1.8816 111.045 2.5475 -6.726212      3.167062 
1 1 1 9  1  34 o 115.672 1.5986 133.616  2.5518  114.639 1.9640 116.706 2.5229 -2.067375      3.197247 
1 1 1 9  1  36 o 82.030  1.8940 67.313   2.1802  81.128  2.4907 82.932  2.8542 -1.804306      3.788095 
1 1 1 9  1  38 o 36.864  4.2038 13.534   2.1391  34.660  5.3302 39.068  6.5021 -4.407860      8.407645 
1 1 1 9  1  40 o 54.496  2.8532 29.848   2.1695  53.538  3.6664 55.453  4.3726 -1.914936      5.706322 
1 1 1 9  1  42 o 25.940  5.6114 7.0039   2.2801  28.062  7.7657 23.818  8.1021 4.244068       11.22276 
1 1 1 9  1  44 o 30.266  5.7924 10.122   2.5284  29.471  7.8776 31.062  8.4941 -1.590195      11.58476 
1 1 1 9  1  46 o 58.550  3.1262 35.554   2.5688  54.831  4.7381 62.268  4.0795 -7.437019      6.252357 
1 1 1 9  1  48 o 20.957  5.1689 3.4269   2.3292  27.156  7.7152 14.758  6.8809 12.39840       10.33780 
1 1 1 9  1  50 o 17.174  4.8576 2.5886   1.7227  16.008  6.2451 18.340  7.4419 -2.332026      9.715140 
1 1 1 9  2  1  o 118.981 1.0808 141.534  1.8181  121.188 1.5244 116.773 1.5326 4.415413       2.161680 
1 1 1 9  2  3  o 235.647 1.7066 555.057  5.6795  233.688 2.3470 237.607 2.4783 -3.918411      3.413266 
1 1 1 9  2  5  o 827.654 4.7942 6855.39  56.114  825.237 6.7650 830.071 6.7951 -4.834167      9.588476 
1 1 1 9  2  7  o 335.263 2.1738 1123.86  10.295  333.233 2.9972 337.292 3.1494 -4.059723      4.347656 
1 1 1 9  2  9  o 315.809 2.0750 996.564  9.2458  311.863 2.8323 319.754 3.0333 -7.890747      4.150053 
1 1 1 9  2  11 o 472.104 2.8579 2228.82  19.068  468.580 3.9673 475.628 4.1148 -7.047974      5.715853 
1 1 1 9  2  13 o 268.188 1.7965 718.048  6.7884  263.572 2.4313 272.804 2.6453 -9.232391      3.592920 
1 1 1 9  2  15 o 578.890 3.3746 3351.26  27.609  581.953 4.8610 575.827 4.6821 6.126038       6.749209 
1 1 1 9  2  17 o 256.020 1.7934 654.555  6.4845  248.625 2.5078 263.416 2.5643 -14.79092      3.586733 
1 1 1 9  2  19 o 676.591 4.0769 4559.29  37.843  665.625 4.9352 687.558 6.4907 -21.93304      8.153809 
1 1 1 9  2  21 o 566.628 3.4282 3213.73  26.824  567.450 4.2019 565.807 5.4181 1.643494       6.856472 
1 1 1 9  2  23 o 520.801 3.6566 2712.25  26.880  528.498 5.3199 513.104 5.0182 15.39374       7.313265 
1 1 1 9  2  25 o 134.206 1.2704 180.635  2.3788  136.208 1.6106 132.203 1.9651 4.004501       2.540840 
1 1 1 9  2  27 o 14.220  4.2509 0.1155   1.4671  13.811  5.8340 14.629  6.1842 -0.8181992     8.501718 
1 1 1 9  2  29 o 168.343 1.7807 283.272  3.8055  168.028 1.7867 168.659 3.0807 -0.6309052     3.561317 
1 1 1 9  2  31 o 13.181  4.1386 -2.2722  1.5979  9.8041  4.7473 16.558  6.7805 -6.753699      8.277185 
1 1 1 9  2  33 o 273.233 2.0470 747.949  7.7429  273.857 2.5297 272.609 3.2190 1.247986       4.094100 
1 1 1 9  2  35 o 76.443  2.0239 58.987   2.1553  79.700  2.5353 73.185  3.1554 6.515030       4.047756 
1 1 1 9  2  37 o 92.420  1.8105 85.423   2.3614  90.273  2.4942 94.567  2.6251 -4.293724      3.621073 
1 1 1 9  2  39 o 17.795  5.1041 0.9814   2.0768  19.839  7.4780 15.752  6.9489 4.086726       10.20818 
1 1 1 9  2  41 o 25.121  5.7244 6.4660   2.3078  25.189  8.2027 25.053  7.9868 0.1367493      11.44872 
1 1 1 9  2  43 o 25.731  5.5614 6.9969   2.2223  27.021  7.7274 24.441  8.0002 2.579884       11.12277 
1 1 1 9  2  45 o 39.056  4.4965 16.308   2.3872  33.361  6.9753 44.752  5.6762 -11.39160      8.992974 
1 1 1 9  2  47 o 15.735  4.9359 -3.5299  2.4193  11.290  5.5771 20.180  8.1455 -8.889286      9.871783 
1 1 1 9  2  49 o 17.868  5.4922 0.8349   2.6113  20.471  8.4728 15.265  6.9908 5.205781       10.98449 
1 1 1 9  2  51 f 17.836  5.8183 -0.6243  3.5221  16.672  8.0070 19.000  8.4437 -2.328369      11.63653 
1 1 1 9  3  0  o 12.360  5.4147 2.1938   1.3856  12.360  5.4147 ?       ?      0.000000       0.000000 
1 1 1 9  3  2  o 77.560  1.1910 60.157   1.8474  ?       ?      77.560  1.1910 ?              ?        
1 1 1 9  3  4  o 342.703 2.3467 1168.48  11.085  349.491 3.7002 335.915 2.8873 13.57651       4.693459 
1 1 1 9  3  6  o 380.306 2.4147 1441.13  12.907  369.141 3.2374 391.472 3.5836 -22.33099      4.829419 
1 1 1 9  3  8  o 355.583 2.2671 1263.73  11.390  361.133 3.2612 350.033 3.1502 11.09927       4.534275 
1 1 1 9  3  10 o 482.918 2.9655 2326.16  20.191  466.157 4.0870 499.679 4.2980 -33.52219      5.930974 
1 1 1 9  3  12 o 300.373 1.9298 902.159  8.1964  296.683 2.7243 304.063 2.7341 -7.379639      3.859690 
1 1 1 9  3  14 o 572.207 3.3818 3274.99  27.362  572.629 4.8293 571.785 4.7354 0.8444824      6.763582 
1 1 1 9  3  16 f 292.233 1.9418 854.045  8.0244  294.712 2.7425 289.754 2.7496 4.958221       3.883507 
1 1 1 9  3  18 o 685.508 4.0445 4706.98  38.491  689.042 5.0439 681.974 6.3237 7.067688       8.088918 
1 1 1 9  3  20 o 405.530 2.6080 1645.01  14.508  405.484 3.1323 405.576 4.1708 -0.9124756E-01 5.216002 
1 1 1 9  3  22 o 310.637 2.1987 962.514  9.5528  305.509 2.8535 315.764 3.3459 -10.25562      4.397383 
1 1 1 9  3  24 o 165.700 1.4506 274.151  3.3218  164.572 1.7891 166.828 2.2840 -2.256409      2.901281 
1 1 1 9  3  26 o 229.659 1.8137 528.116  5.8085  230.699 2.3023 228.619 2.8030 2.079910       3.627340 
1 1 1 9  3  28 o 82.467  1.5409 66.964   1.7227  78.658  1.8349 86.276  2.4759 -7.617752      3.081707 
1 1 1 9  3  30 o 135.348 1.4580 183.925  2.7519  137.871 1.8425 132.826 2.2602 5.045700       2.915989 
1 1 1 9  3  32 o 58.470  2.1636 34.094   1.7823  55.069  3.0403 61.871  3.0793 -6.802448      4.327248 
1 1 1 9  3  34 o 25.946  4.9871 6.9503   1.9336  22.024  7.3591 29.868  6.7328 -7.844263      9.974266 
1 1 1 9  3  36 o 70.772  2.0036 50.394   1.9813  72.415  2.5512 69.129  3.0900 3.286209       4.007100 
1 1 1 9  3  38 o 25.669  4.0597 5.4687   1.9913  38.109  5.3023 13.230  6.1491 24.87888       8.119472 
1 1 1 9  3  40 o 41.777  3.2742 17.654   1.9336  40.817  4.6676 42.737  4.5930 -1.920124      6.548476 
1 1 1 9  3  42 o 44.999  3.4761 20.627   2.1923  40.847  5.2295 49.151  4.5809 -8.303711      6.952137 
1 1 1 9  3  44 o 34.005  4.9117 12.526   2.2801  34.232  6.9878 33.778  6.9043 0.4538994      9.823388 
1 1 1 9  3  46 o 23.296  5.9380 5.5516   2.4951  23.420  8.6976 23.172  8.0865 0.2474976      11.87604 
1 1 1 9  3  48 o 19.228  5.6520 2.7003   2.5284  20.573  8.3740 17.883  7.5932 2.689137       11.30402 
1 1 1 9  3  50 o 25.409  6.2206 8.3803   2.6909  28.800  9.4138 22.017  8.1341 6.783657       12.44114 
1 1 1 9  4  1  o 501.444 3.1506 2515.18  22.341  499.436 4.4388 503.452 4.4722 -4.015503      6.301137 
1 1 1 9  4  3  o 941.752 5.9329 8886.34  78.406  937.055 8.9828 946.449 7.7530 -9.394470      11.86587 
1 1 1 9  4  5  o 945.339 5.5683 8956.38  72.769  941.661 8.7856 949.017 6.8438 -7.355591      11.13660 
1 1 1 9  4  7  o 265.646 1.8954 708.328  6.8518  262.628 3.0775 268.663 2.2133 -6.034149      3.790805 
1 1 1 9  4  9  o 751.958 4.3838 5658.39  46.602  757.365 6.2736 746.551 6.1247 10.81390       8.767514 
1 1 1 9  4  11 o 318.293 2.0072 1012.53  9.0239  322.073 2.9039 314.512 2.7718 7.560699       4.014387 
1 1 1 9  4  13 o 330.003 2.4561 1089.35  11.460  333.537 3.4272 326.469 3.5191 7.068024       4.912199 
1 1 1 9  4  15 o 419.634 2.6317 1761.31  15.615  418.760 3.7637 420.508 3.6794 -1.748566      5.263426 
1 1 1 9  4  17 o 474.530 2.8601 2250.98  19.183  465.968 4.0143 483.092 4.0751 -17.12421      5.720253 
1 1 1 9  4  19 o 671.338 3.9912 4524.98  37.309  682.620 5.0153 660.055 6.2101 22.56464       7.982353 
1 1 1 9  4  21 o 289.131 2.1296 837.564  8.6840  295.882 2.8683 282.380 3.1485 13.50174       4.259105 
1 1 1 9  4  23 o 187.766 1.4872 350.843  3.8409  184.327 1.8166 191.205 2.3551 -6.877350      2.974329 
1 1 1 9  4  25 o 171.760 1.7739 295.578  4.0365  172.411 1.9421 171.110 2.9691 1.301773       3.547896 
1 1 1 9  4  27 o 231.451 1.8415 536.044  5.7844  231.546 2.1443 231.356 2.9945 0.1898956      3.683028 
1 1 1 9  4  29 o 182.592 1.7414 335.470  4.2167  185.083 1.9028 180.102 2.9170 4.980621       3.482757 
1 1 1 9  4  31 o 189.787 1.6557 359.278  4.3333  187.389 2.0334 192.185 2.6135 -4.795639      3.311327 
1 1 1 9  4  33 o 12.960  4.1807 -2.2545  1.6987  12.492  5.7154 13.428  6.1030 -0.9356384     8.361355 
1 1 1 9  4  35 o 34.861  3.5261 12.262   1.7300  33.860  5.2856 35.862  4.6686 -2.001907      7.052192 
1 1 1 9  4  37 o 23.562  4.8916 5.3691   1.9052  18.056  7.1395 29.068  6.6888 -11.01273      9.783257 
1 1 1 9  4  39 o 80.826  2.3205 65.099   2.6243  76.798  3.0821 84.855  3.4699 -8.056732      4.641078 
1 1 1 9  4  41 o 23.026  5.3712 5.2184   2.0719  21.070  7.8215 24.981  7.3636 -3.911228      10.74238 
1 1 1 9  4  43 o 21.574  5.5579 3.9347   2.2501  24.152  8.1021 18.996  7.6103 5.155577       11.11574 
1 1 1 9  4  45 o 29.904  5.4556 10.045   2.3656  26.325  8.2754 33.483  7.1114 -7.157986      10.91118 
1 1 1 9  4  47 o 31.717  5.3781 11.647   2.3928  34.611  7.3896 28.822  7.8158 5.789410       10.75611 
1 1 1 9  4  49 o 17.287  5.5784 -2.1794  3.1166  16.738  8.1833 17.835  7.5835 -1.096939      11.15684 
1 1 1 9  4  51 o 22.478  7.5836 0.9050   6.4959  26.376  12.111 18.580  9.1301 7.796127       15.16714 
1 1 1 9  5  0  o 252.000 2.6123 635.286  13.163  252.000 2.6123 ?       ?      0.000000       0.000000 
1 1 1 9  5  2  o 516.223 3.2229 2666.03  23.522  515.750 4.6231 516.696 4.4917 -0.9451294     6.445770 
1 1 1 9  5  4  o 288.350 1.9535 829.908  7.9403  294.544 2.8617 282.156 2.6599 12.38779       3.906991 
1 1 1 9  5  6  o 307.535 2.1127 952.022  9.0260  297.861 3.3144 317.209 2.6208 -19.34747      4.225364 
1 1 1 9  5  8  o 83.404  1.2018 69.676   1.3254  83.091  2.0149 83.716  1.3103 -0.6253128     2.403503 
1 1 1 9  5  10 o 280.414 1.9222 784.335  7.4038  283.054 3.0594 277.773 2.3278 5.281158       3.844318 
1 1 1 9  5  12 o 646.056 3.7878 4172.09  34.570  655.182 5.4632 636.931 5.2481 18.25061       7.575601 
1 1 1 9  5  14 o 325.319 2.1146 1058.38  9.7271  320.838 3.0050 329.800 2.9759 -8.961334      4.229204 
1 1 1 9  5  16 f 283.948 1.8691 806.366  7.5048  283.511 2.6676 284.386 2.6188 -0.8746643     3.738200 
1 1 1 9  5  18 o 559.508 3.5593 3130.56  27.994  557.442 4.7123 561.574 5.3355 -4.132263      7.118538 
1 1 1 9  5  20 o 123.489 1.3100 152.847  2.2771  126.271 1.7374 120.707 1.9610 5.564163       2.619906 
1 1 1 9  5  22 o 66.722  1.5329 45.227   1.3997  70.703  1.7964 62.741  2.4845 7.962826       3.065876 
1 1 1 9  5  24 o 78.089  2.1957 60.932   2.4193  76.870  3.0041 79.307  3.2030 -2.436096      4.391387 
1 1 1 9  5  26 o 81.633  1.4305 66.805   1.6408  83.085  1.8761 80.182  2.1600 2.902077       2.861049 
1 1 1 9  5  28 o 127.583 1.3469 163.105  2.4234  130.616 1.8122 124.550 1.9932 6.065681       2.693847 
1 1 1 9  5  30 o 69.100  1.8082 47.888   1.7566  70.356  2.3797 67.844  2.7231 2.511986       3.616346 
1 1 1 9  5  32 o 82.154  1.6232 67.788   1.8723  84.581  2.1160 79.726  2.4620 4.854828       3.246371 
1 1 1 9  5  34 o 42.161  2.8075 17.817   1.6722  42.909  4.0363 41.413  3.9034 1.496761       5.615033 
1 1 1 9  5  36 f 107.716 1.6553 116.303  2.4951  108.239 2.1335 107.194 2.5313 1.045670       3.310508 
1 1 1 9  5  38 o 92.341  1.8812 85.457   2.4451  92.733  2.8016 91.949  2.5115 0.7833633      3.762480 
1 1 1 9  5  40 o 44.731  3.5589 20.481   2.2223  48.482  4.5250 40.979  5.4944 7.502617       7.117894 
1 1 1 9  5  42 o 53.441  3.0187 28.930   2.2801  53.936  4.1745 52.947  4.3615 0.9893875      6.037334 
1 1 1 9  5  44 o 47.905  3.5159 23.577   2.3445  47.541  5.4646 48.268  4.4255 -0.7261772     7.031873 
1 1 1 9  5  46 o 16.984  5.2331 -1.2220  2.3574  21.645  8.6542 12.322  5.8860 9.323656       10.46613 
1 1 1 9  5  48 o 27.885  6.1453 9.7872   2.6321  30.035  9.2672 25.735  8.0732 4.300303       12.29061 
1 1 1 9  5  50 o 27.112  6.6505 8.8898   2.9760  36.775  11.048 17.448  7.4069 19.32667       13.30099 
1 1 1 9  6  1  o 500.022 3.1307 2498.43  22.099  508.447 4.5419 491.598 4.3100 16.84924       6.261337 
1 1 1 9  6  3  o 304.931 2.0550 929.773  8.8596  300.227 2.9037 309.635 2.9087 -9.407623      4.109939 
1 1 1 9  6  5  o 354.655 2.3136 1258.09  11.603  355.704 3.2948 353.606 3.2490 2.097961       4.627278 
1 1 1 9  6  7  o 197.305 1.5711 389.668  4.3158  196.484 2.4388 198.127 1.9815 -1.643127      3.142251 
1 1 1 9  6  9  o 539.575 3.4004 2907.33  24.998  542.607 5.4901 536.543 4.0135 6.064331       6.800714 
1 1 1 9  6  11 o 520.688 3.3452 2701.30  23.634  526.752 5.4252 514.625 3.9152 12.12720       6.690429 
1 1 1 9  6  13 o 705.646 4.3112 4974.38  41.476  708.823 6.9557 702.470 5.0955 6.353455       8.622352 
1 1 1 9  6  15 o 287.120 2.1807 820.905  8.6292  291.810 3.4425 282.430 2.6778 9.379791       4.361323 
1 1 1 9  6  17 o 715.703 4.1639 5125.40  42.144  715.899 5.9111 715.507 5.8660 0.3916626      8.327732 
1 1 1 9  6  19 o 320.514 2.1757 1032.59  9.6461  327.276 2.6637 313.752 3.4409 13.52454       4.351446 
1 1 1 9  6  21 o 169.851 1.4378 282.221  3.2582  160.527 1.6544 179.175 2.3521 -18.64827      2.875665 
1 1 1 9  6  23 o 160.689 1.7796 259.028  3.7085  161.669 1.8569 159.708 3.0365 1.961258       3.559273 
1 1 1 9  6  25 o 371.725 2.5219 1385.19  12.755  373.674 2.9509 369.775 4.0906 3.899475       5.043874 
1 1 1 9  6  27 o 127.890 1.4059 163.603  2.5350  127.802 1.8973 127.978 2.0751 -0.1766586     2.811716 
1 1 1 9  6  29 o 69.179  1.6510 47.662   1.6083  65.427  2.2942 72.931  2.3748 -7.503616      3.301982 
1 1 1 9  6  31 o 28.901  3.3898 8.4707   1.3512  31.093  4.6420 26.710  4.9412 4.382881       6.779639 
1 1 1 9  6  33 o 133.534 1.4531 177.718  2.7177  130.193 1.9068 136.875 2.1933 -6.681564      2.906256 
1 1 1 9  6  35 o 99.524  1.5996 99.122   2.2501  101.870 2.2669 97.178  2.2575 4.691666       3.199259 
1 1 1 9  6  37 o 77.357  1.8461 59.675   2.0058  80.104  2.7387 74.609  2.4761 5.495155       3.692128 
1 1 1 9  6  39 o 147.365 1.6668 218.234  3.4630  152.190 2.2381 142.539 2.4707 9.651016       3.333676 
1 1 1 9  6  41 o 29.074  4.7734 9.0732   1.9713  24.990  7.8746 33.158  5.3975 -8.167572      9.546892 
1 1 1 9  6  43 o 24.999  5.7211 6.3260   2.1924  28.248  8.9470 21.749  7.1326 6.498472       11.44212 
1 1 1 9  6  45 o 22.975  5.4373 4.4824   2.4520  18.068  8.1502 27.882  7.1994 -9.813850      10.87457 
1 1 1 9  6  47 o 14.520  4.7490 -3.2619  2.2862  17.355  7.6209 11.684  5.6686 5.670944       9.497959 
1 1 1 9  6  49 o 17.741  5.3827 0.7272   2.6139  15.872  7.5344 19.609  7.6893 -3.736571      10.76538 
1 1 1 9  7  0  o 235.958 2.5453 557.001  12.008  235.958 2.5453 ?       ?      0.000000       0.000000 
1 1 1 9  7  2  o 192.971 1.5422 369.642  4.1757  203.470 2.2699 182.473 2.0882 20.99756       3.084302 
1 1 1 9  7  4  o 365.262 2.3584 1334.58  12.180  364.676 3.3720 365.848 3.2981 -1.171600      4.716789 
1 1 1 9  7  6  o 564.779 3.3428 3190.47  26.692  570.279 4.7682 559.280 4.6865 10.99902       6.685691 
1 1 1 9  7  8  o 177.064 1.3373 313.544  3.3485  176.168 1.9007 177.961 1.8816 -1.793274      2.674528 
1 1 1 9  7  10 o 514.627 3.1866 2649.48  22.554  514.302 5.0739 514.952 3.8567 -0.6500244     6.373219 
1 1 1 9  7  12 o 890.221 5.2457 7926.16  64.345  891.747 8.3192 888.695 6.3924 3.051392       10.49147 
1 1 1 9  7  14 o 531.940 3.4072 2828.39  24.643  533.129 5.5228 530.751 3.9920 2.378357       6.814489 
1 1 1 9  7  16 o 747.491 4.4302 5586.47  45.684  749.796 7.0068 745.185 5.4232 4.610718       8.860322 
1 1 1 9  7  18 o 724.316 4.3237 5225.40  42.632  735.217 6.9729 713.416 5.1144 21.80115       8.647478 
1 1 1 9  7  20 o 334.844 2.3362 1122.01  11.050  336.942 3.2041 332.746 3.4007 4.195770       4.672332 
1 1 1 9  7  22 o 296.414 1.9924 875.206  8.0809  292.252 2.3903 300.576 3.1884 -8.324188      3.984880 
1 1 1 9  7  24 o 197.830 1.6072 388.484  4.2767  193.726 1.8477 201.933 2.6303 -8.206390      3.214366 
1 1 1 9  7  26 o 115.907 1.2210 134.660  1.9813  117.453 1.5729 114.361 1.8679 3.092163       2.441907 
1 1 1 9  7  28 o 122.093 1.2726 149.150  2.1878  122.308 1.6993 121.877 1.8948 0.4303818      2.545136 
1 1 1 9  7  30 o 111.126 1.4135 123.061  2.2133  105.364 1.9726 116.889 2.0250 -11.52509      2.826960 
1 1 1 9  7  32 o 47.602  2.0684 22.698   1.3832  51.723  2.7905 43.481  3.0538 8.241413       4.136718 
1 1 1 9  7  34 o 49.214  2.2975 24.413   1.5871  46.397  3.4841 52.032  2.9958 -5.635437      4.594965 
1 1 1 9  7  36 o 23.866  4.4360 6.0285   1.6043  19.430  7.2736 28.303  5.0799 -8.873144      8.871920 
1 1 1 9  7  38 o 42.081  3.3860 17.412   1.9398  45.565  5.3215 38.598  4.1881 6.966984       6.771912 
1 1 1 9  7  40 o 16.347  4.9345 0.0201   1.8709  19.847  8.0354 12.846  5.7296 7.001386       9.868979 
1 1 1 9  7  42 o 65.840  2.4515 43.637   2.1790  66.258  4.0081 65.423  2.8238 0.8358536      4.902935 
1 1 1 9  7  44 o 51.212  3.0998 26.428   2.1983  55.122  4.7131 47.302  4.0277 7.820282       6.199663 
1 1 1 9  7  46 o 38.419  3.9578 15.126   2.0784  43.571  5.9626 33.268  5.2061 10.30317       7.915548 
1 1 1 9  7  48 o 21.923  5.5749 5.3001   2.2980  19.874  8.3155 23.971  7.4279 -4.096889      11.14989 
1 1 1 9  7  50 o 24.513  7.6878 10.242   5.2806  25.093  11.186 23.934  10.549 1.158552       15.37560 
1 1 1 9  8  1  o 66.481  1.2893 43.299   1.1876  75.903  1.8255 57.060  1.8212 18.84274       2.578585 
1 1 1 9  8  3  o 351.340 2.2250 1234.45  11.054  355.488 3.1506 347.191 3.1428 8.296173       4.450097 
1 1 1 9  8  5  o 445.382 2.8136 1982.19  17.697  437.966 3.8887 452.797 4.0673 -14.83176      5.627131 
1 1 1 9  8  7  o 448.206 2.8600 2009.41  18.128  446.963 4.0687 449.449 4.0205 -2.486664      5.720059 
1 1 1 9  8  9  o 564.843 3.4042 3191.38  27.191  565.518 4.7777 564.167 4.8505 1.351013       6.808377 
1 1 1 9  8  11 o 262.359 2.0092 685.323  6.9324  265.005 3.3767 259.713 2.1785 5.292633       4.018458 
1 1 1 9  8  13 o 326.444 2.1658 1068.67  9.7596  322.910 3.4327 329.977 2.6419 -7.066040      4.331635 
1 1 1 9  8  15 o 840.047 4.8798 7063.56  56.581  839.308 7.7177 840.786 5.9738 -1.478516      9.759619 
1 1 1 9  8  17 o 501.580 3.0165 2523.34  21.053  495.235 4.6980 507.925 3.7850 -12.68979      6.033007 
1 1 1 9  8  19 o 204.988 1.6629 419.604  4.8066  201.357 2.2651 208.619 2.4353 -7.262405      3.325812 
1 1 1 9  8  21 o 201.324 1.6332 405.509  4.6473  206.056 2.2694 196.593 2.3493 9.462631       3.266440 
1 1 1 9  8  23 o 209.547 2.2799 435.873  6.1257  206.326 2.3504 212.769 3.9073 -6.442505      4.559738 
1 1 1 9  8  25 o 157.715 1.7925 248.079  3.8432  156.208 2.1066 159.222 2.9007 -3.013214      3.584986 
1 1 1 9  8  27 o 208.324 1.6178 434.428  4.7613  210.516 2.2214 206.133 2.3526 4.382538       3.235621 
1 1 1 9  8  29 o 209.278 1.6583 436.062  4.7716  205.492 2.0228 213.063 2.6283 -7.571716      3.316620 
1 1 1 9  8  31 o 67.901  1.4131 45.854   1.3414  70.192  2.1385 65.609  1.8479 4.582573       2.826254 
1 1 1 9  8  33 o 31.162  4.8613 11.522   1.8413  38.396  3.4582 23.928  9.0867 14.46877       9.722510 
1 1 1 9  8  35 o 31.427  3.0058 9.9500   1.3178  31.046  4.6490 31.809  3.8114 -0.7631683     6.011631 
1 1 1 9  8  37 o 83.538  1.6367 69.789   1.9302  86.744  2.3294 80.332  2.2997 6.412132       3.273373 
1 1 1 9  8  39 f 40.748  2.9941 16.304   1.6627  44.419  4.6790 37.077  3.7370 7.342121       5.988206 
1 1 1 9  8  41 o 16.401  4.6055 0.5264   1.6439  21.300  7.5512 11.502  5.2747 9.797628       9.211004 
1 1 1 9  8  43 o 49.479  2.9328 24.480   1.9808  52.179  4.6470 46.779  3.5790 5.399765       5.865502 
1 1 1 9  8  45 o 13.150  4.3212 -2.6385  1.8612  14.030  6.5714 12.270  5.6132 1.759854       8.642454 
1 1 1 9  8  47 o 18.761  5.2756 2.6705   2.2146  16.865  7.4910 20.658  7.4305 -3.792332      10.55121 
1 1 1 9  8  49 o 33.108  6.0003 14.538   2.6666  29.093  10.773 37.122  5.2876 -8.029022      12.00067 
1 1 1 9  9  0  o 125.969 1.6046 158.764  4.0413  125.969 1.6046 ?       ?      0.000000       0.000000 
1 1 1 9  9  2  o 122.882 1.1460 150.721  1.9880  127.909 1.6249 117.855 1.6165 10.05368       2.292035 
1 1 1 9  9  4  o 358.130 2.4165 1281.95  12.226  353.772 3.3454 362.489 3.4879 -8.717102      4.832956 
1 1 1 9  9  6  o 520.876 3.1541 2711.04  23.203  512.070 4.3632 529.683 4.5560 -17.61310      6.308236 
1 1 1 9  9  8  o 831.225 4.8215 6908.13  56.563  838.843 7.0407 823.607 6.5891 15.23669       9.642994 
1 1 1 9  9  10 o 541.014 3.2446 2927.65  24.824  539.521 4.5799 542.508 4.5972 -2.986694      6.489212 
1 1 1 9  9  12 o 537.543 3.2317 2890.00  24.555  535.833 4.4929 539.253 4.6464 -3.419983      6.463361 
1 1 1 9  9  14 o 195.868 1.6343 384.445  4.2984  194.805 2.6969 196.933 1.8469 -2.128082      3.268664 
1 1 1 9  9  16 o 548.335 3.3872 2994.61  25.522  557.221 5.3772 539.450 4.1203 17.77087       6.774328 
1 1 1 9  9  18 o 550.414 3.6285 3037.11  27.784  545.768 5.6488 555.060 4.5557 -9.292175      7.256902 
1 1 1 9  9  20 f 443.995 3.3566 1967.89  20.001  440.947 3.8100 447.043 5.5273 -6.095123      6.713213 
1 1 1 9  9  22 o 326.153 2.8029 1070.91  12.222  331.270 3.1195 321.035 4.6576 10.23529       5.605810 
1 1 1 9  9  24 o 198.480 2.1116 394.549  5.5607  198.941 2.3216 198.020 3.5277 0.9217682      4.223111 
1 1 1 9  9  26 o 81.087  3.2130 65.900   3.5455  80.957  5.2058 81.217  3.7675 -0.2601089     6.426064 
1 1 1 9  9  28 o 41.957  3.6596 17.722   2.0799  42.392  4.2218 41.521  5.9789 0.8712234      7.319164 
1 1 1 9  9  30 o 177.394 2.0689 313.169  4.8860  174.755 2.3125 180.033 3.4312 -5.278381      4.137774 
1 1 1 9  9  32 o 50.871  3.6104 27.379   2.4028  58.779  3.7323 42.963  6.1813 15.81572       7.220705 
1 1 1 9  9  34 o 69.105  3.2510 46.060   2.9391  62.907  3.6709 75.304  5.3666 -12.39628      6.502036 
1 1 1 9  9  36 o 15.029  4.7076 -1.2171  1.7850  14.132  5.7370 15.926  7.4654 -1.793946      9.415125 
1 1 1 9  9  38 o 70.907  3.0501 51.082   2.4035  71.737  2.4143 70.077  5.6021 1.660431       6.100242 
1 1 1 9  9  40 o 64.563  3.1030 42.096   2.5524  64.447  3.1353 64.678  5.3557 -0.2304764     6.205914 
1 1 1 9  9  42 o 44.305  4.2468 19.576   2.4750  40.737  4.8184 47.872  6.9947 -7.134167      8.493696 
1 1 1 9  9  44 o 17.055  5.6854 -4.6338  3.0315  13.153  6.3040 20.957  9.4634 -7.803438      11.37090 
1 1 1 9  9  46 o 18.797  5.9972 -2.5543  3.1085  12.693  6.1694 24.901  10.286 -12.20810      11.99442 
1 1 1 9  9  48 o 21.572  6.8665 2.6994   4.0194  17.802  8.1210 25.342  11.074 -7.539324      13.73299 
1 1 1 9  10 1  o 656.883 3.9365 4314.21  36.549  646.757 5.5076 667.010 5.6260 -20.25360      7.873094 
1 1 1 9  10 3  o 762.740 4.5360 5819.87  48.922  771.546 6.4127 753.934 6.4170 17.61243       9.071912 
1 1 1 9  10 5  o 321.151 2.2638 1031.62  10.268  320.512 3.2963 321.790 3.1038 -1.278412      4.527587 
1 1 1 9  10 7  o 988.169 5.6267 9771.29  78.624  990.675 8.0129 985.664 7.9014 5.011047       11.25337 
1 1 1 9  10 9  o 412.571 2.6616 1702.14  15.527  416.187 3.7870 408.955 3.7410 7.232330       5.323191 
1 1 1 9  10 11 o 774.422 4.5025 5996.90  49.230  781.510 6.5525 767.335 6.1770 14.17560       9.005033 
1 1 1 9  10 13 o 641.865 3.8606 4121.97  35.043  643.700 5.4441 640.030 5.4753 3.669739       7.721188 
1 1 1 9  10 15 o 673.519 4.0520 4520.19  37.316  683.052 6.4912 663.987 4.8517 19.06512       8.104009 
1 1 1 9  10 17 o 255.657 1.9762 652.736  6.7293  256.639 3.2843 254.674 2.1989 1.964844       3.952478 
1 1 1 9  10 19 o 363.092 3.8098 1330.23  17.704  368.807 3.8508 357.377 6.5749 11.43069       7.619562 
1 1 1 9  10 21 o 253.977 2.3009 652.166  7.9855  263.336 2.6966 244.618 3.7290 18.71747       4.601807 
1 1 1 9  10 23 o 290.789 2.5479 850.917  9.9844  295.308 2.8934 286.270 4.1947 9.037659       5.095840 
1 1 1 9  10 25 o 110.653 1.9676 121.877  2.9901  108.603 2.3921 112.703 3.1247 -4.099808      3.935267 
1 1 1 9  10 27 o 125.083 2.3428 156.518  3.6488  124.901 2.2649 125.265 4.1019 -0.3638763     4.685620 
1 1 1 9  10 29 f 284.258 2.8156 810.972  10.468  285.177 2.9962 283.340 4.7679 1.837158       5.631154 
1 1 1 9  10 31 o 162.352 2.1748 265.240  4.6924  164.253 2.3901 160.451 3.6341 3.802216       4.349623 
1 1 1 9  10 33 o 178.784 1.9944 322.481  4.9737  186.121 2.5125 171.447 3.0980 14.67371       3.988751 
1 1 1 9  10 35 o 166.900 2.2793 280.883  5.2354  170.467 2.7432 163.332 3.6407 7.135025       4.558512 
1 1 1 9  10 37 o 99.000  2.4795 98.373   3.2653  98.669  2.7500 99.331  4.1266 -0.6623611     4.958980 
1 1 1 9  10 39 o 87.098  2.6021 75.652   3.0483  84.498  3.0063 89.698  4.2480 -5.200012      5.204117 
1 1 1 9  10 41 o 31.470  7.6825 9.3940   3.8828  24.860  9.2354 38.079  12.280 -13.21926      15.36502 
1 1 1 9  10 43 o 34.228  7.6967 13.409   4.0281  35.798  8.5014 32.659  12.833 3.139442       15.39339 
1 1 1 9  10 45 o 27.679  5.9364 7.8306   1.8428  27.125  4.2568 28.234  11.084 -1.109083      11.87288 
1 1 1 9  10 47 o 37.074  5.5503 14.631   2.1426  33.534  4.3040 40.614  10.232 -7.080196      11.10056 
1 1 1 9  10 49 o 16.254  5.4016 -0.2341  2.4493  13.833  6.1208 18.674  8.9020 -4.840798      10.80327 
1 1 1 9  11 0  f 7.2556  5.0145 -1.5010  2.3093  7.2556  5.0145 ?       ?      0.000000       0.000000 
1 1 1 9  11 2  o 275.350 2.0079 756.141  7.7988  285.884 2.8878 264.815 2.7905 21.06900       4.015758 
1 1 1 9  11 4  o 101.161 1.3128 102.360  1.8759  104.842 1.8172 97.480  1.8952 7.361870       2.625623 
1 1 1 9  11 6  f 442.352 2.7887 1956.15  17.398  444.860 4.1009 439.843 3.7802 5.016937       5.577405 
1 1 1 9  11 8  o 93.149  1.2710 86.772   1.6742  92.808  1.8040 93.490  1.7908 -0.6817780     2.541932 
1 1 1 9  11 10 o 253.288 1.8242 642.005  6.5110  254.930 2.4458 251.646 2.7071 3.284348       3.648364 
1 1 1 9  11 12 o 273.771 1.8266 749.585  7.0721  274.256 2.5892 273.286 2.5773 0.9697571      3.653272 
1 1 1 9  11 14 o 338.087 2.2098 1143.06  10.560  339.930 3.1759 336.245 3.0734 3.684998       4.419524 
1 1 1 9  11 16 o 125.828 1.5166 157.674  2.4590  126.902 2.5931 124.754 1.5734 2.148224       3.033151 
1 1 1 9  11 18 o 216.675 1.8259 467.151  5.5619  207.421 2.4772 225.929 2.6831 -18.50868      3.651765 
1 1 1 9  11 20 o 159.682 1.8794 256.889  4.0413  162.909 2.1263 156.456 3.0996 6.453308       3.758818 
1 1 1 9  11 22 o 235.647 2.2620 555.451  7.0848  235.445 2.5011 235.848 3.7697 -0.4027405     4.523947 
1 1 1 9  11 24 o 172.239 2.0187 297.701  4.8290  174.513 2.5142 169.965 3.1589 4.548447       4.037360 
1 1 1 9  11 26 o 61.869  3.4035 38.630   2.3815  62.441  2.7738 61.297  6.2162 1.144230       6.806953 
1 1 1 9  11 28 o 143.195 2.1001 203.332  4.0595  139.339 2.4445 147.050 3.4156 -7.710709      4.200283 
1 1 1 9  11 30 o 98.120  2.2789 97.216   2.9030  99.833  2.3710 96.406  3.8925 3.426971       4.557743 
1 1 1 9  11 32 o 45.549  5.2728 22.701   3.0431  53.343  5.0868 37.756  9.2376 15.58649       10.54555 
1 1 1 9  11 34 o 63.005  3.6053 38.362   2.9542  57.636  4.0067 68.375  5.9949 -10.73898      7.210572 
1 1 1 9  11 36 o 109.122 2.4707 120.250  3.5839  110.571 2.7151 107.674 4.1286 2.897331       4.941337 
1 1 1 9  11 38 f 96.883  2.9551 95.971   3.7823  99.925  3.1777 93.840  4.9833 6.084801       5.910193 
1 1 1 9  11 40 o 20.702  6.3581 -0.2242  3.3475  19.566  8.3040 21.837  9.6306 -2.271297      12.71628 
1 1 1 9  11 42 o 20.262  6.2314 -0.2309  3.3356  20.326  8.5868 20.198  9.0326 0.1277523      12.46279 
1 1 1 9  11 44 o 33.353  8.4060 8.7897   4.8056  18.600  8.4824 48.106  14.515 -29.50552      16.81198 
1 1 1 9  11 46 o 16.902  5.6424 -5.7047  3.6624  18.451  8.3758 15.353  7.5625 3.098012       11.28472 
1 1 1 9  11 48 o 28.301  7.2741 11.879   3.8068  26.742  10.327 29.859  10.247 -3.117289      14.54810 
1 1 1 9  12 1  f 846.195 4.9883 7164.87  59.695  845.980 7.0632 846.410 7.0459 -0.4307861     9.976642 
1 1 1 9  12 3  f 228.188 1.6638 518.052  5.3188  220.916 2.1952 235.461 2.5009 -14.54454      3.327681 
1 1 1 9  12 5  o 465.009 2.9315 2160.18  19.253  454.839 4.0744 475.180 4.2159 -20.34042      5.862999 
1 1 1 9  12 7  o 564.190 3.3790 3184.00  26.960  566.471 4.7900 561.909 4.7673 4.561462       6.758063 
1 1 1 9  12 9  o 671.114 3.9389 4505.99  37.375  670.353 5.5032 671.876 5.6368 -1.522766      7.877753 
1 1 1 9  12 11 o 567.370 3.3600 3219.61  26.949  562.614 4.6895 572.127 4.8133 -9.513123      6.720069 
1 1 1 9  12 13 o 195.280 1.7450 379.508  4.7818  188.631 2.3261 201.929 2.6017 -13.29860      3.489912 
1 1 1 9  12 15 o 457.403 2.9854 2095.50  19.269  450.631 4.3943 464.175 4.0422 -13.54468      5.970733 
1 1 1 9  12 17 o 423.521 2.8060 1798.81  16.517  419.024 4.3813 428.018 3.5070 -8.994293      5.612028 
1 1 1 9  12 19 o 328.872 2.5200 1081.59  11.713  320.196 3.5700 337.547 3.5575 -17.35138      5.039924 
1 1 1 9  12 21 o 138.922 1.8638 191.365  3.5263  135.089 2.2223 142.755 2.9927 -7.666153      3.727560 
1 1 1 9  12 23 o 145.560 2.1220 213.215  4.2156  148.272 2.4919 142.848 3.4353 5.423889       4.243936 
1 1 1 9  12 25 o 205.290 2.7610 416.491  6.6130  201.475 2.4070 209.104 4.9697 -7.628372      5.521910 
1 1 1 9  12 27 o 174.547 2.1565 305.057  4.9393  174.594 2.3147 174.499 3.6393 0.9515381E-01  4.313025 
1 1 1 9  12 29 o 107.447 2.4884 115.627  3.7795  106.055 3.4839 108.839 3.5539 -2.784317      4.976748 
1 1 1 9  12 31 o 66.745  3.2357 43.267   2.7997  62.201  3.5270 71.289  5.4259 -9.087673      6.471462 
1 1 1 9  12 33 o 156.158 2.3217 241.421  4.7743  151.592 2.5516 160.723 3.8794 -9.131210      4.643323 
1 1 1 9  12 35 o 102.229 2.5290 105.400  3.5415  103.676 3.0070 100.782 4.0672 2.894180       5.058065 
1 1 1 9  12 37 o 26.934  5.7743 7.1539   2.6532  32.209  7.3320 21.658  8.9224 10.55066       11.54851 
1 1 1 9  12 39 o 96.203  2.7609 92.048   3.6451  91.287  3.4151 101.118 4.3391 -9.831154      5.521867 
1 1 1 9  12 41 o 71.721  3.6108 53.103   3.5415  73.113  4.2640 70.329  5.8283 2.784027       7.221522 
1 1 1 9  12 43 o 24.328  6.8284 2.8410   3.5606  16.839  7.7082 31.817  11.273 -14.97810      13.65670 
1 1 1 9  12 45 o 28.925  7.2078 9.8434   3.8952  22.238  9.3844 35.612  10.943 -13.37394      14.41561 
1 1 1 9  12 47 o 17.865  5.8422 -4.8204  3.8608  20.987  9.0933 14.743  7.3373 6.243624       11.68437 
1 1 1 9  13 0  o 333.604 3.2368 1113.31  21.592  333.604 3.2368 ?       ?      0.000000       0.000000 
1 1 1 9  13 2  o 96.535  1.4155 92.780   1.9233  100.511 2.0678 92.558  1.9336 7.953217       2.830994 
1 1 1 9  13 4  o 554.631 3.3969 3077.25  26.643  553.084 4.8329 556.177 4.7749 -3.092651      6.793864 
1 1 1 9  13 6  o 845.362 4.9650 7152.13  59.336  844.079 7.1338 846.645 6.9076 -2.566101      9.930039 
1 1 1 9  13 8  o 326.215 2.1650 1064.31  9.9874  323.587 3.0687 328.842 3.0548 -5.255554      4.329976 
1 1 1 9  13 10 o 670.692 3.9168 4501.45  37.150  670.514 5.5622 670.870 5.5162 -0.3566284     7.833637 
1 1 1 9  13 12 o 498.091 3.1219 2477.86  21.941  487.039 4.2910 509.142 4.5357 -22.10291      6.243816 
1 1 1 9  13 14 o 228.814 1.7446 523.201  5.5861  230.033 2.6603 227.595 2.2576 2.438644       3.489133 
1 1 1 9  13 16 o 421.153 2.7360 1773.91  16.234  419.165 3.6774 423.141 4.0522 -3.975861      5.472099 
1 1 1 9  13 18 o 62.686  2.1560 40.915   1.6984  57.845  3.7926 67.527  2.0519 -9.681911      4.312079 
1 1 1 9  13 20 o 52.442  2.4986 27.387   1.8186  51.292  3.1516 53.593  3.8781 -2.301010      4.997179 
1 1 1 9  13 22 o 123.197 2.1750 151.850  3.7636  123.448 3.2737 122.945 2.8644 0.5022354      4.349916 
1 1 1 9  13 24 o 33.246  5.9204 10.501   2.5273  26.437  7.0678 40.054  9.5002 -13.61700      11.84090 
1 1 1 9  13 26 o 287.101 2.6628 821.031  10.298  282.595 3.0644 291.607 4.3556 -9.011200      5.325546 
1 1 1 9  13 28 o 59.557  3.6714 35.642   3.0863  60.194  4.9873 58.920  5.3891 1.273926       7.342757 
1 1 1 9  13 30 o 229.523 2.4055 525.052  7.5082  225.626 2.8402 233.420 3.8831 -7.794312      4.810976 
1 1 1 9  13 32 o 105.814 3.0165 111.550  3.7972  104.568 2.7053 107.061 5.3925 -2.492378      6.033032 
1 1 1 9  13 34 o 63.840  3.4213 40.621   3.0280  60.880  4.3622 66.801  5.2719 -5.921246      6.842638 
1 1 1 9  13 36 o 26.042  6.5536 5.3207   3.1602  20.114  8.4077 31.971  10.055 -11.85744      13.10727 
1 1 1 9  13 38 o 43.678  6.1081 19.757   3.4748  38.291  7.6584 49.065  9.5175 -10.77377      12.21613 
1 1 1 9  13 40 o 46.783  5.5757 23.418   3.4072  47.507  6.0762 46.058  9.3505 1.448460       11.15135 
1 1 1 9  13 42 o 33.099  7.6267 12.499   4.1279  28.992  10.360 37.207  11.195 -8.214357      15.25339 
1 1 1 9  13 44 o 18.979  6.1018 -1.6858  3.4639  17.962  7.9809 19.997  9.2321 -2.034624      12.20351 
1 1 1 9  13 46 o 19.554  6.2822 -0.0035  3.7765  19.385  8.6066 19.722  9.1536 -0.3373146     12.56433 
1 1 1 9  13 48 o 20.391  5.7464 4.6197   2.4698  21.029  7.1326 19.753  9.0117 1.276155       11.49278 
1 1 1 9  14 1  o 422.431 2.6865 1784.89  16.049  423.230 3.8058 421.632 3.7928 1.598297       5.373062 
1 1 1 9  14 3  o 624.512 3.7786 3901.40  33.363  636.036 5.3191 612.989 5.3684 23.04700       7.557222 
1 1 1 9  14 5  o 391.008 2.5519 1526.68  14.090  402.838 3.6545 379.178 3.5628 23.65985       5.103816 
1 1 1 9  14 7  o 291.182 2.0201 848.422  8.3118  287.762 2.9291 294.603 2.7827 -6.841736      4.040215 
1 1 1 9  14 9  o 450.163 2.8656 2025.86  18.221  444.757 3.9591 455.569 4.1439 -10.81171      5.731196 
1 1 1 9  14 11 o 396.133 2.5300 1569.03  14.160  392.501 3.5007 399.765 3.6537 -7.263641      5.060093 
1 1 1 9  14 13 o 496.070 3.2782 2462.73  22.847  496.328 4.9319 495.813 4.3199 0.5151062      6.556333 
1 1 1 9  14 15 o 320.799 2.1377 1029.09  9.6935  317.085 2.9860 324.512 3.0600 -7.426636      4.275447 
1 1 1 9  14 17 o 287.977 2.0766 829.338  8.4530  284.722 2.8996 291.231 2.9735 -6.509186      4.153239 
1 1 1 9  14 19 o 134.051 1.4808 180.081  2.7973  137.002 1.9806 131.099 2.2019 5.902710       2.961556 
1 1 1 9  14 21 o 286.906 2.8795 816.105  10.702  281.106 3.0396 292.706 4.8915 -11.59958      5.758936 
1 1 1 9  14 23 f 27.476  4.4528 4.7925   2.0871  12.221  5.6418 42.730  6.8905 -30.50900      8.905560 
1 1 1 9  14 25 o 258.809 2.5036 666.904  8.4107  255.662 2.6420 261.957 4.2535 -6.294510      5.007260 
1 1 1 9  14 27 o 279.522 2.6485 775.070  9.7747  273.064 2.9177 285.981 4.4211 -12.91724      5.297025 
1 1 1 9  14 29 o 71.357  2.9948 51.061   2.8720  71.279  3.4018 71.435  4.9299 -0.1553574     5.989660 
1 1 1 9  14 31 o 101.904 2.6368 101.459  3.3834  97.089  2.6758 106.718 4.5442 -9.629280      5.273530 
1 1 1 9  14 33 o 133.421 2.3736 179.255  4.1506  134.596 2.5307 132.245 4.0163 2.350708       4.747104 
1 1 1 9  14 35 o 68.947  3.8692 47.433   3.6025  65.916  4.5544 71.977  6.2563 -6.060669      7.738469 
1 1 1 9  14 37 o 83.840  2.9508 70.263   3.4067  80.272  3.6679 87.409  4.6234 -7.136299      5.901679 
1 1 1 9  14 39 o 35.695  6.7624 12.701   3.1560  27.614  8.0692 43.777  10.854 -16.16283      13.52485 
1 1 1 9  14 41 o 28.933  7.0605 9.0748   3.4264  28.539  9.0377 29.327  10.850 -0.7881184     14.12091 
1 1 1 9  14 43 o 32.826  7.0293 13.225   3.5606  35.164  8.4630 30.488  11.226 4.675856       14.05859 
1 1 1 9  14 45 o 18.861  6.1861 -2.0546  3.8715  17.760  8.2214 19.962  9.2456 -2.202782      12.37228 
1 1 1 9  14 47 o 21.708  6.9371 3.2015   4.7236  23.621  10.157 19.795  9.4520 3.825592       13.87426 
1 1 1 9  15 0  o 58.742  2.8647 34.755   3.3485  58.742  2.8647 ?       ?      0.000000       0.000000 
1 1 1 9  15 2  o 290.536 2.0022 844.072  8.2243  293.108 2.8560 287.964 2.8068 5.144714       4.004344 
1 1 1 9  15 4  o 194.874 1.4873 379.735  4.0982  196.428 2.1162 193.318 2.0905 3.110107       2.974585 
1 1 1 9  15 6  f 808.140 4.7309 6537.98  54.063  808.369 6.6348 807.912 6.7457 0.4567871      9.461734 
1 1 1 9  15 8  o 349.062 2.3213 1218.31  11.454  353.145 3.3187 344.979 3.2466 8.165833       4.642612 
1 1 1 9  15 10 o 458.228 2.8733 2101.08  18.619  460.591 4.0361 455.865 4.0906 4.725494       5.746546 
1 1 1 9  15 12 o 161.116 1.6716 258.954  3.7963  165.719 2.4386 156.514 2.2870 9.204742       3.343214 
1 1 1 9  15 14 o 81.543  1.5587 66.485   1.7729  81.403  1.9858 81.683  2.4031 -0.2797089     3.117398 
1 1 1 9  15 16 o 390.108 3.0163 1522.56  16.582  387.953 4.0626 392.263 4.4595 -4.309631      6.032540 
1 1 1 9  15 18 o 148.415 1.8309 214.542  3.5575  156.994 3.0522 139.836 2.0230 17.15796       3.661766 
1 1 1 9  15 20 o 97.344  1.4869 94.638   1.9612  96.876  1.7282 97.812  2.4200 -0.9367371     2.973719 
1 1 1 9  15 22 o 175.753 2.0635 308.407  4.7832  174.739 2.2467 176.766 3.4620 -2.027710      4.127087 
1 1 1 9  15 24 o 31.434  5.5237 10.141   2.3310  30.103  6.5129 32.764  8.9233 -2.660551      11.04738 
1 1 1 9  15 26 o 115.569 2.0444 133.126  3.2471  113.717 2.4877 117.421 3.2450 -3.704277      4.088824 
1 1 1 9  15 28 o 292.340 2.8078 851.919  10.941  288.002 3.1472 296.678 4.6508 -8.676453      5.615607 
1 1 1 9  15 30 o 58.315  3.6783 32.461   2.8463  50.608  4.4490 66.022  5.8588 -15.41338      7.356565 
1 1 1 9  15 32 o 152.503 2.0126 233.531  4.3268  156.108 2.6997 148.897 2.9855 7.211563       4.025154 
1 1 1 9  15 34 o 95.384  3.0037 90.504   3.9225  91.218  3.6708 99.549  4.7555 -8.330894      6.007464 
1 1 1 9  15 36 o 50.300  5.0768 26.941   3.2051  53.086  5.0026 47.514  8.8356 5.572117       10.15353 
1 1 1 9  15 38 o 24.729  6.9057 3.9025   3.4667  20.576  8.5879 28.881  10.817 -8.304688      13.81148 
1 1 1 9  15 40 o 27.840  7.1423 6.4264   3.5697  20.034  8.4395 35.645  11.525 -15.61172      14.28462 
1 1 1 9  15 42 o 26.873  6.9594 7.8067   3.4926  28.473  9.9070 25.274  9.7767 3.199080       13.91875 
1 1 1 9  15 44 o 22.957  6.9757 4.2048   4.1279  23.851  9.8501 22.064  9.8801 1.787367       13.95142 
1 1 1 9  15 46 o 20.648  6.5283 2.1305   3.8711  18.872  8.5916 22.423  9.8314 -3.551203      13.05652 
1 1 1 9  16 1  o 424.758 2.6671 1804.85  16.021  426.790 3.7605 422.727 3.7830 4.063385       5.334125 
1 1 1 9  16 3  o 401.220 2.6049 1609.15  14.757  405.711 3.7852 396.729 3.5798 8.981903       5.209839 
1 1 1 9  16 5  o 239.205 1.8122 568.790  6.0276  245.969 2.7931 232.441 2.3099 13.52812       3.624491 
1 1 1 9  16 7  o 108.357 1.6189 116.984  2.4704  104.282 2.2145 112.431 2.3621 -8.148872      3.237770 
1 1 1 9  16 9  o 44.190  2.6706 19.217   1.6424  40.339  3.5779 48.040  3.9658 -7.701302      5.341251 
1 1 1 9  16 11 o 89.149  2.0909 80.474   2.4090  86.875  3.5885 91.422  2.1471 -4.547127      4.181811 
1 1 1 9  16 13 o 28.485  3.7939 9.4156   1.5745  16.491  6.6978 40.479  3.5656 -23.98826      7.587723 
1 1 1 9  16 15 o 161.987 1.6153 262.740  3.6949  167.066 2.2116 156.908 2.3548 10.15741       3.230531 
1 1 1 9  16 17 o 232.511 1.8578 540.740  6.0512  232.111 2.4127 232.911 2.8257 -0.8002625     3.715606 
1 1 1 9  16 19 o 213.874 1.7808 455.128  5.1903  210.142 2.1154 217.607 2.8653 -7.465347      3.561592 
1 1 1 9  16 21 o 49.616  1.8380 23.545   1.2214  43.634  2.2493 55.598  2.9075 -11.96392      3.675944 
1 1 1 9  16 23 o 36.628  4.5248 13.705   2.2713  31.874  6.8967 41.383  5.8594 -9.508886      9.049693 
1 1 1 9  16 25 o 191.907 2.1911 367.465  5.6435  190.078 2.4906 193.735 3.6058 -3.656784      4.382288 
1 1 1 9  16 27 o 135.077 2.4193 180.009  4.3920  129.475 2.8091 140.679 3.9397 -11.20454      4.838628 
1 1 1 9  16 29 o 75.037  3.0018 56.693   3.1753  71.574  4.4363 78.499  4.0450 -6.924492      6.003585 
1 1 1 9  16 31 o 46.889  5.4268 23.042   3.2468  49.031  5.5341 44.747  9.3368 4.284164       10.85366 
1 1 1 9  16 33 o 58.291  4.3000 33.879   3.4470  54.341  5.4183 62.241  6.6785 -7.900040      8.599993 
1 1 1 9  16 35 o 80.708  3.4474 65.875   3.6306  80.364  3.6638 81.051  5.8408 -0.6874008     6.894787 
1 1 1 9  16 37 o 38.663  7.0016 16.647   3.8026  40.775  8.3583 36.551  11.235 4.223797       14.00328 
1 1 1 9  16 39 o 46.385  5.6377 22.299   3.5003  40.072  7.4816 52.698  8.4356 -12.62576      11.27533 
1 1 1 9  16 41 o 43.370  6.6382 22.435   3.8421  48.033  6.7308 38.707  11.444 9.325588       13.27648 
1 1 1 9  16 43 o 22.429  6.7303 2.7162   3.9581  24.414  9.4493 20.443  9.5863 3.970320       13.46057 
1 1 1 9  16 45 o 31.717  7.9470 15.770   4.3579  27.741  10.243 35.693  12.153 -7.951950      15.89404 
1 1 1 9  17 0  o 109.721 2.2119 120.545  4.8495  109.721 2.2119 ?       ?      0.000000       0.000000 
1 1 1 9  17 2  o 295.514 1.9953 871.303  8.3135  304.124 2.9044 286.904 2.7367 17.22025       3.990609 
1 1 1 9  17 4  o 327.249 2.3244 1070.66  10.686  328.845 3.4937 325.653 3.0670 3.191498       4.648873 
1 1 1 9  17 6  o 192.853 1.7570 371.799  4.7890  187.915 2.4885 197.792 2.4810 -9.876572      3.514005 
1 1 1 9  17 8  o 397.250 2.6304 1577.31  14.757  404.296 3.7984 390.203 3.6397 14.09329       5.260715 
1 1 1 9  17 10 o 554.573 4.0011 3080.14  31.370  553.940 5.5758 555.205 5.7399 -1.264099      8.002275 
1 1 1 9  17 12 o 220.469 1.9329 485.818  5.9486  219.391 2.4736 221.547 2.9707 -2.155930      3.865708 
1 1 1 9  17 14 o 104.871 1.5586 109.804  2.2963  103.387 2.0661 106.355 2.3342 -2.967598      3.117222 
1 1 1 9  17 16 o 488.938 3.0559 2394.16  21.130  489.058 4.3088 488.818 4.3345 0.2400818      6.111721 
1 1 1 9  17 18 o 308.749 2.1415 952.759  9.3352  302.281 2.9603 315.217 3.0953 -12.93564      4.283000 
1 1 1 9  17 20 o 63.003  1.9605 39.258   1.6627  60.954  2.2731 65.052  3.1949 -4.098282      3.921041 
1 1 1 9  17 22 o 332.716 2.3930 1108.68  10.992  332.628 2.9332 332.805 3.7817 -0.1769714     4.785925 
1 1 1 9  17 24 o 38.267  5.4847 13.480   2.7316  27.070  7.4478 49.464  8.0535 -22.39338      10.96942 
1 1 1 9  17 26 o 204.318 2.4151 419.056  6.6761  205.366 2.7831 203.269 3.9479 2.096664       4.830235 
1 1 1 9  17 28 o 154.447 2.2968 237.725  4.4536  152.844 2.2663 156.051 3.9955 -3.207352      4.593541 
1 1 1 9  17 30 o 40.255  5.9390 17.623   3.0309  44.639  5.4320 35.871  10.563 8.767654       11.87807 
1 1 1 9  17 32 o 95.281  2.8189 87.398   3.3609  88.062  2.8846 102.501 4.8438 -14.43896      5.637702 
1 1 1 9  17 34 o 109.525 2.6817 121.365  4.0177  110.815 3.1780 108.235 4.3205 2.579857       5.363434 
1 1 1 9  17 36 o 74.484  3.7653 56.455   3.6742  74.588  4.0249 74.380  6.3647 0.2084045      7.530527 
1 1 1 9  17 38 o 20.969  6.5600 -1.5194  3.8421  21.141  8.9200 20.797  9.6212 0.3441067      13.11994 
1 1 1 9  17 40 o 17.928  5.9390 -5.4461  3.7045  17.082  7.8939 18.774  8.8753 -1.691336      11.87795 
1 1 1 9  17 42 o 20.683  6.6295 -0.4301  3.6488  15.771  7.3500 25.595  11.035 -9.824039      13.25907 
1 1 1 9  17 44 o 23.595  6.9641 6.0197   4.0110  25.366  9.8474 21.823  9.8501 3.543665       13.92826 
1 1 1 9  17 46 o 22.753  7.2923 2.7945   4.9922  29.356  12.259 16.151  7.9017 13.20498       14.58455 
1 1 1 9  18 1  o 428.013 2.8044 1833.22  16.973  423.724 3.9921 432.301 3.9396 -8.576721      5.608705 
1 1 1 9  18 3  o 67.085  2.0386 45.011   1.9336  66.053  2.8843 68.118  2.8816 -2.064674      4.077132 
1 1 1 9  18 5  o 513.508 3.2118 2638.75  23.312  510.157 4.4700 516.859 4.6131 -6.701416      6.423581 
1 1 1 9  18 7  o 606.050 3.7589 3678.31  32.214  608.963 5.2711 603.136 5.3603 5.826538       7.517831 
1 1 1 9  18 9  o 634.809 4.2118 4034.77  37.422  637.487 6.4209 632.132 5.4524 5.354065       8.423533 
1 1 1 9  18 11 f 137.280 1.5165 188.341  2.9398  135.305 2.0907 139.255 2.1973 -3.949921      3.033015 
1 1 1 9  18 13 o 140.320 1.6320 198.328  3.1831  145.220 2.0275 135.420 2.5579 9.800873       3.264011 
1 1 1 9  18 15 o 287.975 2.0413 829.784  8.3118  286.505 2.8614 289.446 2.9121 -2.941376      4.082614 
1 1 1 9  18 17 o 179.751 1.7055 323.258  4.3176  179.532 2.2832 179.970 2.5342 -0.4380951     3.411024 
1 1 1 9  18 19 o 174.327 1.6551 302.558  3.9225  171.616 1.9511 177.038 2.6740 -5.422577      3.310193 
1 1 1 9  18 21 o 98.953  1.5364 95.552   2.0097  93.223  1.7340 104.683 2.5369 -11.45966      3.072888 
1 1 1 9  18 23 o 214.607 1.7296 457.888  5.1085  209.337 2.1236 219.876 2.7307 -10.53897      3.459217 
1 1 1 9  18 25 o 133.955 2.1921 180.132  3.9209  134.690 2.4432 133.219 3.6403 1.471313       4.384132 
1 1 1 9  18 27 o 88.337  2.8004 77.090   3.2020  85.458  2.9725 91.217  4.7468 -5.759361      5.600718 
1 1 1 9  18 29 o 38.081  6.6296 16.337   3.3276  45.543  5.1973 30.619  12.198 14.92464       13.25924 
1 1 1 9  18 31 o 47.709  5.1350 22.666   3.2468  37.052  7.5848 58.365  6.9241 -21.31282      10.26994 
1 1 1 9  18 33 o 91.436  3.2032 83.794   3.9396  89.157  3.6909 93.715  5.2363 -4.558220      6.406411 
1 1 1 9  18 35 o 19.170  6.0225 -2.4656  3.1492  14.800  6.9538 23.539  9.8350 -8.738770      12.04504 
1 1 1 9  18 37 o 19.883  6.4206 -3.0090  3.6475  16.181  7.5248 23.585  10.405 -7.403410      12.84119 
1 1 1 9  18 39 o 52.614  4.8055 28.109   3.4141  44.645  6.2071 60.582  7.3378 -15.93748      9.610965 
1 1 1 9  18 41 o 27.835  7.2294 8.4079   4.0017  31.255  9.8049 24.416  10.626 6.838537       14.45876 
1 1 1 9  18 43 o 24.590  6.8674 7.4475   3.5217  24.747  9.7315 24.433  9.6924 0.3132381      13.73478 
1 1 1 9  18 45 o 19.771  6.7606 -2.3633  5.7431  20.922  9.9953 18.620  9.1058 2.302057       13.52111 
1 1 1 9  19 0  o 78.388  2.5839 61.658   4.0413  78.388  2.5839 ?       ?      0.000000       0.000000 
1 1 1 9  19 2  o 180.252 1.6187 324.318  4.1180  185.935 2.3287 174.570 2.2488 11.36531       3.237325 
1 1 1 9  19 4  o 35.570  4.2234 13.329   1.9713  31.390  7.1470 39.751  4.5023 -8.360895      8.446893 
1 1 1 9  19 6  o 415.512 2.9193 1729.56  17.071  418.361 3.8777 412.662 4.3649 5.698883       5.838599 
1 1 1 9  19 8  o 281.023 2.2993 787.487  9.0282  286.447 3.5069 275.599 2.9746 10.84869       4.598549 
1 1 1 9  19 10 o 264.202 1.9388 697.482  7.2315  269.353 2.8078 259.052 2.6743 10.30124       3.877607 
1 1 1 9  19 12 o 332.365 2.5996 1100.63  11.997  325.392 3.2823 339.337 4.0321 -13.94498      5.199226 
1 1 1 9  19 14 o 182.863 1.5653 334.779  4.0338  184.272 2.0991 181.455 2.3226 2.816849       3.130607 
1 1 1 9  19 16 f 205.907 1.7453 423.004  5.0483  201.335 2.3227 210.479 2.6058 -9.143784      3.490664 
1 1 1 9  19 18 o 132.656 1.7350 176.579  3.2072  134.514 2.1889 130.797 2.6925 3.716797       3.469950 
1 1 1 9  19 20 o 297.292 2.2215 885.832  9.0463  298.151 2.6528 296.434 3.5640 1.717102       4.442933 
1 1 1 9  19 22 o 20.102  4.8359 3.5754   1.4990  17.361  5.7290 22.842  7.7923 -5.480724      9.671721 
1 1 1 9  19 24 o 258.193 1.8746 667.334  6.7420  257.694 2.3748 258.691 2.9012 -0.9969482     3.749209 
1 1 1 9  19 26 o 77.809  3.1301 61.488   3.2280  79.852  3.3981 75.767  5.2576 4.084465       6.260136 
1 1 1 9  19 28 o 79.237  3.2599 64.041   3.3617  81.772  3.3889 76.701  5.5699 5.070953       6.519834 
1 1 1 9  19 30 f 71.002  4.3325 52.220   4.1354  66.547  7.2006 75.457  4.8201 -8.910744      8.665029 
1 1 1 9  19 32 o 32.443  7.1497 11.009   3.5087  32.358  8.5950 32.528  11.428 -0.1700134     14.29937 
1 1 1 9  19 34 o 80.592  3.5074 65.117   3.7775  78.130  3.9902 83.054  5.7695 -4.924103      7.014890 
1 1 1 9  19 36 o 26.364  6.6941 5.9629   3.4658  30.255  9.1484 22.473  9.7750 7.781761       13.38813 
1 1 1 9  19 38 o 22.996  7.0150 1.5059   3.9160  19.996  8.6891 25.996  11.015 -6.000029      14.03002 
1 1 1 9  19 40 o 26.650  7.0353 7.2550   3.7963  30.492  10.087 22.809  9.8098 7.683264       14.07055 
1 1 1 9  19 42 o 29.712  7.2607 12.139   3.9415  33.370  9.6568 26.053  10.845 7.317039       14.52131 
1 1 1 9  19 44 o 19.041  6.2397 0.5225   4.0110  18.855  8.5859 19.226  9.0564 -0.3714314     12.47948 
1 1 1 9  20 1  o 238.493 1.7803 568.982  6.0036  241.614 2.5089 235.371 2.5264 6.243530       3.560530 
1 1 1 9  20 3  o 307.737 2.1161 947.560  9.2075  302.749 3.0130 312.726 2.9722 -9.976959      4.232262 
1 1 1 9  20 5  o 304.022 2.2803 923.275  9.7140  300.528 2.9776 307.516 3.4544 -6.987701      4.560566 
1 1 1 9  20 7  o 315.507 2.1740 996.221  9.6977  314.836 3.1173 316.178 3.0311 -1.341217      4.348002 
1 1 1 9  20 9  o 26.064  5.0017 7.0586   1.9476  22.732  7.7922 29.397  6.2729 -6.664965      10.00338 
1 1 1 9  20 11 o 381.331 2.7992 1453.52  14.961  376.970 3.6602 385.691 4.2361 -8.722015      5.598381 
1 1 1 9  20 13 o 254.490 1.8692 648.273  6.7257  256.987 2.6060 251.994 2.6805 4.992523       3.738448 
1 1 1 9  20 15 o 79.399  1.9504 62.337   2.1558  74.647  2.5522 84.151  2.9500 -9.504257      3.900845 
1 1 1 9  20 17 o 196.758 1.7638 387.279  4.9011  195.179 2.4255 198.336 2.5615 -3.156799      3.527668 
1 1 1 9  20 19 o 30.086  4.5740 9.3491   1.6805  30.919  4.1079 29.253  8.1738 1.665424       9.148046 
1 1 1 9  20 21 o 278.985 2.1242 780.489  8.1976  280.362 2.6152 277.608 3.3482 2.754852       4.248498 
1 1 1 9  20 23 o 152.005 1.5837 232.129  3.3475  154.604 1.9791 149.406 2.4730 5.198364       3.167477 
1 1 1 9  20 25 f 49.468  1.9427 23.827   1.2824  45.934  2.2624 53.002  3.1588 -7.068867      3.885390 
1 1 1 9  20 27 o 23.246  6.6233 2.7522   3.1803  21.412  8.3736 25.080  10.264 -3.667793      13.24667 
1 1 1 9  20 29 o 88.016  2.7936 78.137   3.3650  88.657  3.3211 87.375  4.4930 1.281799       5.587203 
1 1 1 9  20 31 o 36.465  6.6160 12.912   3.1936  26.443  8.2680 46.486  10.331 -20.04316      13.23195 
1 1 1 9  20 33 f 19.241  6.1764 -4.6254  3.6914  19.676  8.4584 18.806  9.0026 0.8700447      12.35280 
1 1 1 9  20 35 o 34.872  7.3274 13.022   3.7522  27.795  9.3262 41.949  11.304 -14.15440      14.65477 
1 1 1 9  20 37 o 23.965  7.1282 2.9259   3.8980  21.376  8.9647 26.554  11.085 -5.178032      14.25640 
1 1 1 9  20 39 o 28.098  6.5778 9.0735   3.2471  31.903  8.6503 24.293  9.9117 7.609642       13.15553 
1 1 1 9  20 41 o 22.690  7.0737 2.9536   4.0805  18.068  8.2289 27.312  11.508 -9.244564      14.14748 
1 1 1 9  20 43 o 18.343  6.0744 -2.6822  4.0725  19.012  8.5165 17.675  8.6639 1.336946       12.14883 
1 1 1 9  21 0  o 264.114 2.6893 697.984  14.202  264.114 2.6893 ?       ?      0.000000       0.000000 
1 1 1 9  21 2  o 326.255 2.4533 1065.70  11.313  328.224 3.3947 324.286 3.5428 3.938232       4.906679 
1 1 1 9  21 4  o 267.318 2.0159 715.075  7.6202  267.252 2.8731 267.384 2.8285 -0.1323242     4.031755 
1 1 1 9  21 6  o 384.373 2.5488 1478.53  13.850  389.381 3.6325 379.365 3.5763 10.01535       5.097546 
1 1 1 9  21 8  o 458.811 2.8921 2108.60  18.763  462.450 4.0448 455.173 4.1349 7.277435       5.784253 
1 1 1 9  21 10 o 116.871 1.7464 136.553  2.8820  115.195 2.4056 118.547 2.5324 -3.352692      3.492851 
1 1 1 9  21 12 o 196.889 1.6888 386.592  4.6838  203.770 2.4649 190.009 2.3092 13.76126       3.377580 
1 1 1 9  21 14 o 87.592  1.7137 77.138   2.0973  85.116  2.6453 90.068  2.1794 -4.952133      3.427406 
1 1 1 9  21 16 o 81.444  1.8557 66.364   2.1345  78.186  2.6582 84.703  2.5900 -6.516853      3.711389 
1 1 1 9  21 18 o 245.837 2.0989 605.550  7.2372  246.836 2.7365 244.839 3.1833 1.997574       4.197810 
1 1 1 9  21 20 o 162.144 1.7285 264.499  3.8026  164.628 1.9989 159.661 2.8204 4.967758       3.456937 
1 1 1 9  21 22 o 115.059 1.7626 133.065  2.7712  116.464 2.0820 113.654 2.8446 2.809975       3.525126 
1 1 1 9  21 24 o 113.233 1.6545 129.748  2.5518  117.156 1.9218 109.309 2.6936 7.846901       3.308916 
1 1 1 9  21 26 o 97.432  1.5152 92.987   1.9757  91.953  1.7580 102.912 2.4683 -10.95913      3.030377 
1 1 1 9  21 28 o 57.122  4.1038 32.656   3.2471  53.713  5.2666 60.530  6.2949 -6.817226      8.207508 
1 1 1 9  21 30 o 80.972  3.6316 66.592   3.7281  81.225  3.6249 80.718  6.2940 0.5070190      7.263257 
1 1 1 9  21 32 o 53.421  5.3695 28.842   3.9209  48.886  6.7315 57.957  8.3675 -9.071194      10.73906 
1 1 1 9  21 34 o 81.351  3.8387 68.440   4.1998  82.484  4.3395 80.218  6.3333 2.266228       7.677382 
1 1 1 9  21 36 o 28.293  7.1281 7.0894   4.0467  32.875  9.4846 23.711  10.643 9.164616       14.25617 
1 1 1 9  21 38 o 22.786  6.7457 3.3079   3.6507  22.989  9.2745 22.582  9.7979 0.4070244      13.49136 
1 1 1 9  21 40 o 24.709  7.2115 6.1262   3.8734  19.743  8.5957 29.675  11.582 -9.931606      14.42301 
1 1 1 9  21 42 o 23.245  6.9867 5.9405   4.1137  24.614  9.8229 21.876  9.9382 2.738232       13.97346 
1 1 1 9  22 1  o 179.593 1.8561 321.171  4.5559  176.719 2.2215 182.467 2.9741 -5.747910      3.712221 
1 1 1 9  22 3  o 164.070 1.6436 269.494  3.8103  160.093 2.3801 168.046 2.2674 -7.952408      3.287250 
1 1 1 9  22 5  o 177.469 1.7517 315.533  4.3808  179.718 2.3450 175.219 2.6029 4.498825       3.503493 
1 1 1 9  22 7  o 154.663 1.7219 238.850  3.7091  152.977 2.1889 156.349 2.6586 -3.371887      3.443753 
1 1 1 9  22 9  o 127.136 1.7178 161.751  3.0884  126.502 2.4188 127.771 2.4399 -1.269608      3.435675 
1 1 1 9  22 11 o 196.393 1.6839 385.528  4.6649  199.105 2.4646 193.681 2.2952 5.424316       3.367857 
1 1 1 9  22 13 o 53.123  2.8806 28.049   2.1338  50.802  3.7502 55.443  4.3734 -4.640877      5.761102 
1 1 1 9  22 15 o 104.634 1.7410 109.795  2.5662  106.927 2.3217 102.341 2.5949 4.585945       3.481939 
1 1 1 9  22 17 o 34.700  4.2225 13.110   1.8894  41.413  4.1822 27.987  7.3367 13.42651       8.444998 
1 1 1 9  22 19 o 149.020 1.8132 222.834  3.7178  150.208 2.1908 147.832 2.8899 2.375870       3.626430 
1 1 1 9  22 21 o 39.895  3.7175 17.403   1.8023  46.398  3.3595 33.391  6.6328 13.00681       7.435081 
1 1 1 9  22 23 o 72.950  2.2043 52.421   2.1317  69.909  2.4775 75.991  3.6467 -6.082512      4.408628 
1 1 1 9  22 25 o 14.695  4.3387 -1.0520  1.6861  16.537  6.0953 12.853  6.1761 3.684690       8.677359 
1 1 1 9  22 27 o 51.504  4.7665 23.850   1.8114  46.777  2.3450 56.232  9.2402 -9.454693      9.533085 
1 1 1 9  22 29 o 57.547  5.3187 36.875   3.6844  66.122  4.7149 48.972  9.5355 17.14928       10.63743 
1 1 1 9  22 31 f 69.401  4.5305 49.272   4.4086  67.494  5.9876 71.307  6.8009 -3.812904      9.061055 
1 1 1 9  22 33 f 21.639  6.6979 -0.6643  3.8355  21.469  8.8411 21.808  10.064 -0.3387241     13.39585 
1 1 1 9  22 35 o 24.256  7.1340 3.2346   3.9250  23.777  9.2657 24.734  10.850 -0.9576321     14.26801 
1 1 1 9  22 37 o 45.324  5.4641 23.266   3.4062  42.240  8.3613 48.407  7.0366 -6.166733      10.92812 
1 1 1 9  22 39 o 35.538  7.1750 17.120   3.6844  34.973  8.8917 36.103  11.263 -1.129345      14.35003 
1 1 1 9  22 41 o 22.886  7.3392 3.6086   4.8528  18.956  8.8396 26.815  11.718 -7.859306      14.67834 
1 1 1 9  23 0  o 181.702 2.4157 330.460  8.7753  181.702 2.4157 ?       ?      0.000000       0.000000 
1 1 1 9  23 2  o 225.554 1.8281 509.110  5.8287  224.559 2.5452 226.548 2.6248 -1.988647      3.656179 
1 1 1 9  23 4  o 135.102 1.6951 182.516  3.2165  134.340 2.2347 135.864 2.5496 -1.524307      3.390294 
1 1 1 9  23 6  o 153.849 1.6196 236.954  3.5207  155.408 2.2289 152.290 2.3504 3.117889       3.239199 
1 1 1 9  23 8  o 125.913 1.6092 158.071  2.8225  123.653 2.0543 128.172 2.4774 -4.519173      3.218303 
1 1 1 9  23 10 o 36.309  4.2946 13.550   2.1345  33.960  6.6986 38.658  5.3762 -4.698524      8.589245 
1 1 1 9  23 12 o 47.673  3.3326 23.094   2.1923  54.511  4.1305 40.834  5.2311 13.67659       6.665262 
1 1 1 9  23 14 o 114.145 1.6627 130.292  2.6818  116.620 2.3762 111.670 2.3265 4.949707       3.325483 
1 1 1 9  23 16 o 219.976 1.8186 483.448  5.6366  224.684 2.6723 215.269 2.4673 9.414703       3.637129 
1 1 1 9  23 18 o 183.213 1.8320 336.397  4.6271  183.598 2.2326 182.827 2.9051 0.7709351      3.663907 
1 1 1 9  23 20 o 83.715  2.2497 69.715   2.5123  82.041  2.5333 85.390  3.7186 -3.349152      4.499487 
1 1 1 9  23 22 o 58.569  2.6815 34.089   2.0966  57.090  3.0338 60.049  4.4226 -2.958828      5.363087 
1 1 1 9  23 24 o 133.506 1.7937 176.664  3.2883  128.241 2.2059 138.771 2.8290 -10.53009      3.587360 
1 1 1 9  23 26 o 69.906  2.1471 47.681   1.9645  65.532  2.3787 74.281  3.5752 -8.749847      4.294165 
1 1 1 9  23 28 o 79.302  2.6461 62.199   2.1805  77.763  1.9303 80.841  4.9276 -3.077965      5.292170 
1 1 1 9  23 30 o 39.771  6.5400 18.645   3.6815  49.568  5.8235 29.974  11.712 19.59446       13.08002 
1 1 1 9  23 32 o 66.434  4.1492 45.146   3.4798  65.383  4.1500 67.484  7.1862 -2.100555      8.298416 
1 1 1 9  23 34 o 32.215  7.3197 11.044   3.7594  24.491  9.2718 39.939  11.329 -15.44792      14.63948 
1 1 1 9  23 36 o 31.595  6.5805 12.150   3.3218  36.332  8.2848 26.858  10.226 9.474489       13.16090 
1 1 1 9  23 38 f 24.457  7.2649 6.0300   4.2593  24.828  9.8496 24.087  10.682 0.7412777      14.52988 
1 1 1 9  23 40 o 22.310  6.8668 2.6707   4.4752  25.106  9.9906 19.514  9.4234 5.592051       13.73361 
1 1 1 9  24 1  o 158.189 1.6423 250.361  3.6476  158.545 2.4761 157.833 2.1581 0.7118378      3.284609 
1 1 1 9  24 3  o 239.040 2.0767 566.904  6.8851  248.465 3.2065 229.615 2.6400 18.84991       4.153490 
1 1 1 9  24 5  o 113.711 1.8034 129.888  2.8855  118.588 2.3855 108.835 2.7053 9.752464       3.606844 
1 1 1 9  24 7  o 119.452 1.6751 142.336  2.8100  116.633 2.2275 122.271 2.5025 -5.638481      3.350215 
1 1 1 9  24 9  o 56.785  2.6690 32.388   2.1361  54.091  3.9491 59.479  3.5913 -5.388443      5.337902 
1 1 1 9  24 11 o 81.550  2.1788 66.642   2.5110  82.542  3.0075 80.557  3.1533 1.985329       4.357606 
1 1 1 9  24 13 o 42.076  3.6638 17.818   2.1615  38.037  5.4641 46.116  4.8824 -8.078709      7.327642 
1 1 1 9  24 15 o 116.879 1.8351 135.791  2.9845  112.728 2.3558 121.030 2.8143 -8.302063      3.670211 
1 1 1 9  24 17 o 138.180 1.9352 191.277  3.7795  138.926 2.7843 137.434 2.6885 1.491425       3.870399 
1 1 1 9  24 19 o 13.810  4.5508 -4.5382  2.1982  14.048  6.3086 13.571  6.5606 0.4771643      9.101685 
1 1 1 9  24 21 o 52.325  3.6425 29.202   2.2740  57.278  3.1246 47.373  6.5808 9.904247       7.284935 
1 1 1 9  24 23 o 77.020  2.3739 57.854   2.3975  72.055  2.6440 81.985  3.9434 -9.930130      4.747768 
1 1 1 9  24 25 o 115.060 1.9687 132.880  3.0296  114.977 2.2093 115.144 3.2590 -0.1676712     3.937326 
1 1 1 9  24 27 f 91.649  1.9106 84.175   2.3962  90.896  2.2865 92.402  3.0615 -1.506218      3.821118 
1 1 1 9  24 29 o 40.313  5.8302 16.111   1.7116  39.081  2.6590 41.545  11.353 -2.464127      11.66037 
1 1 1 9  24 31 o 30.066  6.8587 8.8144   3.7862  35.831  8.6297 24.302  10.663 11.52927       13.71745 
1 1 1 9  24 33 o 37.212  7.9047 16.123   4.2359  32.833  9.7071 41.590  12.478 -8.757183      15.80949 
1 1 1 9  24 35 o 27.430  7.6460 7.8712   4.1582  25.981  9.6594 28.879  11.855 -2.897619      15.29209 
1 1 1 9  24 37 o 37.793  6.0985 18.045   3.2039  41.342  8.1092 34.243  9.1108 7.098770       12.19693 
1 1 1 9  24 39 o 27.334  7.5135 10.980   4.0994  27.655  9.5760 27.014  11.581 0.6407795      15.02703 
1 1 1 9  25 0  o 12.841  8.2706 0.3464   4.7340  12.841  8.2706 ?       ?      0.000000       0.000000 
1 1 1 9  25 2  o 122.062 1.8218 148.688  3.1334  125.932 2.6590 118.191 2.4912 7.740501       3.643624 
1 1 1 9  25 4  o 156.319 1.7120 244.721  3.7795  154.783 2.4990 157.855 2.3407 -3.072205      3.424018 
1 1 1 9  25 6  o 177.589 1.6673 315.794  4.1854  175.296 2.4042 179.883 2.3108 -4.586121      3.334653 
1 1 1 9  25 8  o 239.844 1.9160 576.225  6.4917  241.464 2.6300 238.224 2.7870 3.239868       3.832000 
1 1 1 9  25 10 o 71.156  2.3862 50.674   2.3788  71.752  3.6208 70.561  3.1091 1.190910       4.772475 
1 1 1 9  25 12 o 87.134  2.0441 76.075   2.5084  81.111  2.9894 93.158  2.7888 -12.04679      4.088266 
1 1 1 9  25 14 o 21.239  5.5770 3.0809   2.3544  18.585  7.8773 23.893  7.8969 -5.307869      11.15410 
1 1 1 9  25 16 o 75.790  2.4803 57.552   2.6507  71.308  3.5623 80.273  3.4522 -8.965012      4.960616 
1 1 1 9  25 18 o 45.844  3.7740 20.509   2.3310  41.771  4.5610 49.917  6.0142 -8.145851      7.548016 
1 1 1 9  25 20 o 122.037 2.1058 147.513  3.2950  119.066 2.1819 125.008 3.6023 -5.941452      4.211562 
1 1 1 9  25 22 o 129.685 1.8429 169.467  3.2290  131.422 2.1086 127.949 3.0231 3.472282       3.685844 
1 1 1 9  25 24 o 76.444  2.5682 60.107   2.5302  79.888  2.6016 73.000  4.4288 6.888718       5.136394 
1 1 1 9  25 26 o 86.260  2.0875 75.011   2.4553  87.065  2.4534 85.455  3.3779 1.610268       4.174912 
1 1 1 9  25 28 o 49.848  3.0348 25.815   1.9808  52.867  3.1669 46.829  5.1779 6.037601       6.069541 
1 1 1 9  25 30 f 19.274  6.0731 0.4584   1.7811  11.130  4.9358 27.418  11.098 -16.28729      12.14614 
1 1 1 9  25 32 o 17.411  5.8009 -6.5393  3.6475  17.097  7.7859 17.724  8.6014 -0.6273460     11.60190 
1 1 1 9  25 34 o 29.128  6.5092 6.2865   4.3176  39.544  9.3361 18.711  9.0727 20.83259       13.01830 
1 1 1 9  25 36 o 25.088  7.0358 6.5168   3.9574  27.301  9.3262 22.875  10.537 4.426670       14.07163 
1 1 1 9  25 38 o 20.243  6.4299 1.7474   3.8796  21.004  9.1718 19.482  9.0139 1.522295       12.85975 
1 1 1 9  26 1  o 75.856  2.5353 57.715   2.7122  71.750  3.7013 79.962  3.4656 -8.211914      5.070509 
1 1 1 9  26 3  o 216.760 2.1351 472.512  6.4486  212.228 3.3188 221.293 2.6871 -9.064941      4.270231 
1 1 1 9  26 5  o 68.913  2.8192 48.033   2.7134  62.629  4.3325 75.196  3.6085 -12.56643      5.638410 
1 1 1 9  26 7  o 39.691  4.9487 16.543   2.6544  34.220  8.0541 45.163  5.7524 -10.94313      9.897459 
1 1 1 9  26 9  o 178.731 1.8616 320.015  4.7050  178.975 2.6128 178.487 2.6523 0.4883575      3.723135 
1 1 1 9  26 11 o 72.248  2.4112 52.396   2.4370  72.547  3.1036 71.950  3.6910 0.5965195      4.822442 
1 1 1 9  26 13 o 15.760  5.0530 -2.8581  2.4506  15.538  7.1324 15.982  7.1597 -0.4432201     10.10606 
1 1 1 9  26 15 o 153.030 1.9805 235.095  4.2597  155.198 2.6039 150.862 2.9849 4.336731       3.961097 
1 1 1 9  26 17 o 157.829 1.8816 250.809  4.0211  159.974 2.1653 155.685 3.0779 4.289688       3.763228 
1 1 1 9  26 19 o 110.935 2.0988 124.966  3.1959  115.975 2.4890 105.896 3.3801 10.07928       4.197653 
1 1 1 9  26 21 o 93.608  2.2381 87.947   2.8123  93.268  2.5379 93.947  3.6871 -0.6792984     4.476109 
1 1 1 9  26 23 o 37.002  4.6581 14.044   2.3538  31.722  6.7532 42.281  6.4175 -10.55940      9.316140 
1 1 1 9  26 25 o 81.906  2.4620 66.923   2.6426  80.152  2.6650 83.659  4.1405 -3.506981      4.924070 
1 1 1 9  26 27 o 48.925  3.5981 24.279   2.2584  48.220  3.7115 49.630  6.1652 -1.410431      7.196180 
1 1 1 9  26 29 o 41.120  3.3490 17.166   1.8612  39.665  3.9298 42.575  5.4240 -2.910091      6.698015 
1 1 1 9  26 31 o 62.803  4.3662 40.352   1.9781  62.548  1.9383 63.058  8.5146 -0.5096626     8.732441 
1 1 1 9  26 33 o 25.648  6.6162 5.3512   3.7076  30.194  8.7013 21.102  9.9693 9.091351       13.23249 
1 1 1 9  26 35 o 21.950  6.8635 1.9305   4.1354  17.714  8.2860 26.186  10.944 -8.472073      13.72700 
1 1 1 9  26 37 o 24.451  7.7643 7.6365   5.0415  21.382  9.4279 27.520  12.339 -6.138237      15.52862 
1 1 1 9  27 0  o 252.974 2.9677 640.944  15.010  252.974 2.9677 ?       ?      0.000000       0.000000 
1 1 1 9  27 2  o 169.463 1.9048 287.869  4.5579  167.922 2.7848 171.004 2.5996 -3.082092      3.809592 
1 1 1 9  27 4  o 50.006  3.5077 24.952   2.4610  54.190  5.0072 45.823  4.9137 8.367699       7.015422 
1 1 1 9  27 6  o 77.277  2.3533 60.786   2.4712  81.116  2.7046 73.439  3.8520 7.677139       4.706685 
1 1 1 9  27 8  o 113.582 1.9953 129.206  3.1976  112.476 2.7204 114.688 2.9196 -2.212784      3.990600 
1 1 1 9  27 10 o 51.307  3.9190 26.444   2.6926  50.829  4.4297 51.785  6.4661 -0.9556465     7.837922 
1 1 1 9  27 12 o 68.945  2.7832 47.745   2.7134  69.489  3.9048 68.401  3.9670 1.088593       5.566351 
1 1 1 9  27 14 o 84.381  2.2372 71.653   2.6444  82.721  3.4198 86.042  2.8852 -3.321449      4.474306 
1 1 1 9  27 16 o 81.418  2.6140 66.936   2.9258  82.716  3.1408 80.120  4.1793 2.596313       5.227957 
1 1 1 9  27 18 o 77.026  2.9406 60.833   2.9697  80.146  3.0974 73.905  4.9995 6.241035       5.881226 
1 1 1 9  27 20 o 32.794  5.4903 11.672   2.5158  36.847  5.7972 28.741  9.3255 8.105310       10.98058 
1 1 1 9  27 22 o 53.770  3.9880 29.716   2.7369  54.826  4.0014 52.714  6.8997 2.111645       7.976040 
1 1 1 9  27 24 o 57.633  3.4572 33.111   2.7535  52.449  4.5130 62.817  5.2386 -10.36799      6.914439 
1 1 1 9  27 26 o 29.133  5.7256 8.3672   2.3185  21.168  7.1326 37.097  8.9587 -15.92894      11.45130 
1 1 1 9  27 28 o 67.936  2.7498 46.466   2.5351  65.427  3.2649 70.445  4.4255 -5.017998      5.499504 
1 1 1 9  27 30 o 30.494  4.7543 9.7881   1.8870  25.244  6.0219 35.743  7.3588 -10.49950      9.508640 
1 1 1 9  27 32 f 29.802  6.7346 11.110   3.5919  35.020  7.9311 24.584  10.887 10.43629       13.46922 
1 1 1 9  27 34 o 24.141  7.2751 5.5437   4.5407  25.632  9.9938 22.650  10.575 2.981707       14.55016 
1 1 1 9  27 36 o 23.498  7.0734 7.7132   3.8981  22.276  8.9612 24.721  10.947 -2.444729      14.14676 
1 1 1 9  28 1  f 259.129 2.0969 673.211  7.6675  258.837 3.0780 259.421 2.8486 -0.5834351     4.193860 
1 1 1 9  28 3  o 290.869 2.3456 849.124  9.6382  287.558 3.4130 294.180 3.2185 -6.621979      4.691206 
1 1 1 9  28 5  o 106.329 1.9011 113.022  2.8435  104.308 2.5460 108.350 2.8240 -4.041924      3.802250 
1 1 1 9  28 7  o 98.567  2.0916 97.392   2.9152  98.711  2.9828 98.423  2.9329 0.2880325      4.183160 
1 1 1 9  28 9  f 88.315  2.2906 78.318   2.8575  90.148  3.1380 86.482  3.3378 3.666603       4.581297 
1 1 1 9  28 11 o 59.186  3.7476 34.747   3.0699  63.820  5.6991 54.552  4.8682 9.268093       7.495237 
1 1 1 9  28 13 o 106.718 2.0724 114.182  3.0908  106.105 2.6661 107.331 3.1735 -1.226357      4.144821 
1 1 1 9  28 15 o 69.149  3.2592 48.296   3.1490  69.006  4.1831 69.291  4.9991 -0.2853699     6.518409 
1 1 1 9  28 17 o 42.585  5.2220 19.318   2.8922  45.063  5.5090 40.108  8.8728 4.954998       10.44392 
1 1 1 9  28 19 o 31.635  5.7267 10.969   2.6105  35.368  6.7708 27.903  9.2378 7.464680       11.45341 
1 1 1 9  28 21 o 103.876 2.3657 108.979  3.2878  104.710 2.6465 103.043 3.9219 1.667183       4.731342 
1 1 1 9  28 23 o 94.434  2.4869 89.530   3.1895  92.652  2.9286 96.215  4.0202 -3.563438      4.973817 
1 1 1 9  28 25 o 36.488  5.2649 14.215   2.4590  36.500  5.3778 36.475  9.0529 0.2521133E-01  10.52977 
1 1 1 9  28 27 o 18.680  5.5587 0.9732   2.4590  18.702  7.2857 18.659  8.3974 0.4355049E-01  11.11744 
1 1 1 9  28 29 o 28.735  5.9330 9.1840   2.3664  25.326  7.0430 32.143  9.5498 -6.817373      11.86602 
1 1 1 9  28 31 o 24.430  5.2617 6.8074   1.8709  20.566  6.5176 28.294  8.2622 -7.728884      10.52347 
1 1 1 9  28 33 o 33.905  7.2539 17.166   4.1535  41.347  9.8920 26.464  10.612 14.88334       14.50778 
1 1 1 9  28 35 o 36.749  7.2114 23.403   4.3964  45.410  8.4521 28.087  11.687 17.32347       14.42282 
1 1 1 9  29 0  o 48.696  5.4533 24.709   5.1959  48.696  5.4533 ?       ?      0.000000       0.000000 
1 1 1 9  29 2  o 54.038  3.7605 29.804   2.8100  51.219  5.9740 56.858  4.5692 -5.639019      7.521096 
1 1 1 9  29 4  o 61.052  3.0883 37.645   2.6544  58.726  4.6204 63.378  4.0991 -4.651768      6.176685 
1 1 1 9  29 6  o 75.751  2.6512 58.281   2.7854  71.759  4.1835 79.743  3.2579 -7.984138      5.302449 
1 1 1 9  29 8  o 198.516 1.9439 395.188  5.4482  197.435 2.6610 199.598 2.8346 -2.163589      3.887864 
1 1 1 9  29 10 o 167.187 1.8566 280.438  4.3846  167.563 2.5496 166.810 2.6995 0.7531586      3.713217 
1 1 1 9  29 12 o 40.163  4.8398 16.908   2.6544  43.375  5.9895 36.950  7.6039 6.424683       9.679541 
1 1 1 9  29 14 o 63.604  3.3033 40.799   2.9595  60.121  4.6093 67.088  4.7330 -6.967369      6.606598 
1 1 1 9  29 16 o 64.419  3.2622 41.933   2.8719  63.796  3.8913 65.042  5.2369 -1.245712      6.524360 
1 1 1 9  29 18 o 139.268 2.1564 193.403  3.9943  136.432 2.4120 142.103 3.5752 -5.671005      4.312727 
1 1 1 9  29 20 o 154.157 1.9037 238.524  3.9819  153.366 2.2210 154.948 3.0925 -1.582275      3.807398 
1 1 1 9  29 22 o 64.570  3.5283 42.192   2.9237  63.125  3.6583 66.015  6.0343 -2.890465      7.056588 
1 1 1 9  29 24 o 49.064  4.7839 26.104   2.8757  51.282  4.5031 46.846  8.4419 4.435936       9.567878 
1 1 1 9  29 26 o 25.625  6.0150 5.2050   2.8311  15.902  7.1409 35.349  9.6814 -19.44691      12.03009 
1 1 1 9  29 28 o 33.217  5.6209 12.355   2.4869  28.761  7.0668 37.673  8.7429 -8.912060      11.24180 
1 1 1 9  29 30 o 17.760  5.4590 0.6830   2.5648  18.041  7.3338 17.478  8.0880 0.5631695      10.91794 
1 1 1 9  29 32 o 17.656  4.8958 2.8244   1.7764  18.021  6.3826 17.291  7.4254 0.7304459      9.791502 
1 1 1 9  29 34 f 21.846  6.5875 3.6315   4.1174  26.220  10.103 17.472  8.4568 8.747978       13.17500 
1 1 1 9  30 1  o 158.863 1.8505 253.214  4.1567  160.680 2.5870 157.046 2.6468 3.634109       3.701073 
1 1 1 9  30 3  o 72.331  2.9915 52.767   3.0598  71.772  4.2632 72.890  4.1979 -1.117439      5.983062 
1 1 1 9  30 5  o 35.780  5.2250 14.159   2.5298  42.551  5.2915 29.009  9.0113 13.54148       10.45005 
1 1 1 9  30 7  o 17.469  5.5927 -3.9835  3.0598  15.188  7.2525 19.749  8.5155 -4.560729      11.18533 
1 1 1 9  30 9  o 22.108  6.0299 2.4399   2.8505  26.713  9.2298 17.502  7.7620 9.211323       12.05973 
1 1 1 9  30 11 o 70.467  3.0697 51.263   2.9707  62.087  4.9283 78.847  3.6611 -16.75986      6.139328 
1 1 1 9  30 13 o 191.930 2.0436 370.584  5.5423  187.433 2.9570 196.427 2.8216 -8.993881      4.087147 
1 1 1 9  30 15 o 157.191 2.1112 246.807  4.4967  154.189 2.4712 160.192 3.4237 -6.002686      4.222430 
1 1 1 9  30 17 o 33.007  5.5674 12.344   2.9489  43.591  5.1652 22.422  9.8643 21.16918       11.13474 
1 1 1 9  30 19 o 81.859  2.7344 68.114   3.0309  82.244  3.1588 81.473  4.4642 0.7712173      5.468769 
1 1 1 9  30 21 o 77.565  3.2655 62.321   3.2311  79.613  3.2632 75.517  5.6572 4.096306       6.530929 
1 1 1 9  30 23 o 57.870  4.0200 34.952   3.0416  58.096  4.2730 57.644  6.8104 0.4524078      8.039945 
1 1 1 9  30 25 o 46.078  5.5265 25.524   2.9979  53.753  4.5110 38.404  10.091 15.34855       11.05305 
1 1 1 9  30 27 o 22.324  6.3636 4.3326   2.9201  17.843  7.5851 26.804  10.220 -8.961599      12.72730 
1 1 1 9  30 29 o 25.045  5.9030 7.2650   2.3916  19.462  7.3603 30.628  9.2308 -11.16607      11.80599 
1 1 1 9  30 31 o 15.249  4.9568 -1.1791  2.3310  14.292  6.4125 16.207  7.5604 -1.914673      9.913634 
1 1 1 9  31 0  o 39.796  8.9977 18.359   6.2351  39.796  8.9977 ?       ?      0.000000       0.000000 
1 1 1 9  31 2  o 65.998  3.3611 44.365   3.1165  69.470  4.4045 62.526  5.0783 6.944336       6.722254 
1 1 1 9  31 4  o 29.929  6.5391 9.4033   3.0863  26.930  9.2370 32.929  9.2584 -5.998140      13.07826 
1 1 1 9  31 6  o 51.103  4.5928 26.820   3.3173  50.180  6.4429 52.027  6.5471 -1.846897      9.185559 
1 1 1 9  31 8  o 53.466  3.7571 29.201   2.8277  55.591  4.9849 51.340  5.6225 4.251194       7.514107 
1 1 1 9  31 10 o 49.621  4.5390 25.633   3.1133  44.863  7.2064 54.378  5.5207 -9.515247      9.078007 
1 1 1 9  31 12 o 87.701  2.7348 77.941   3.3712  90.077  3.5892 85.326  4.1273 4.751007       5.469628 
1 1 1 9  31 14 o 19.176  6.0694 -2.0784  3.3218  17.841  7.9891 20.511  9.1391 -2.670441      12.13875 
1 1 1 9  31 16 o 56.772  3.9563 34.348   2.8911  61.315  3.9546 52.228  6.8534 9.087402       7.912513 
1 1 1 9  31 18 o 62.923  4.0433 42.515   3.1534  67.854  3.7437 57.992  7.1678 9.862091       8.086551 
1 1 1 9  31 20 o 31.209  6.8571 10.802   3.1402  29.370  8.1633 33.048  11.020 -3.678055      13.71420 
1 1 1 9  31 22 f 38.266  5.9226 16.489   2.9369  36.548  6.7287 39.984  9.7485 -3.436821      11.84516 
1 1 1 9  31 24 o 16.735  5.4230 -2.8244  2.9310  16.912  7.5038 16.559  7.8313 0.3521214      10.84609 
1 1 1 9  31 26 o 26.305  6.8761 8.5651   3.1698  23.201  8.4422 29.410  10.856 -6.208984      13.75227 
1 1 1 9  31 28 o 28.671  6.0735 11.016   2.7035  31.496  7.1303 25.846  9.8339 5.650156       12.14691 
1 1 1 9  31 30 o 30.007  5.9456 12.469   2.5884  28.885  7.8082 31.129  8.9686 -2.243401      11.89128 
1 1 1 9  32 1  o 69.503  3.5420 48.965   3.4168  70.041  5.5226 68.964  4.4368 1.076141       7.084089 
1 1 1 9  32 3  o 37.279  5.7945 15.015   2.9729  37.903  8.0150 36.656  8.3704 1.247040       11.58898 
1 1 1 9  32 5  o 20.807  6.0659 1.6685   2.8577  18.855  7.9778 22.759  9.1398 -3.903297      12.13184 
1 1 1 9  32 7  o 45.590  5.0024 22.206   3.0587  51.448  5.8352 39.732  8.1269 11.71514       10.00480 
1 1 1 9  32 9  o 38.117  5.7285 15.776   2.9976  41.404  7.8151 34.830  8.3777 6.574409       11.45696 
1 1 1 9  32 11 o 68.228  3.3206 47.450   3.2018  66.530  4.6859 69.925  4.7061 -3.395302      6.641148 
1 1 1 9  32 13 o 86.401  2.9873 74.824   3.5052  82.332  3.5762 90.469  4.7861 -8.137253      5.974571 
1 1 1 9  32 15 o 76.494  3.3932 58.915   3.1936  74.439  3.2574 78.548  5.9535 -4.108154      6.786332 
1 1 1 9  32 17 o 41.722  5.5581 18.795   2.9534  41.136  5.7542 42.308  9.5110 -1.172138      11.11615 
1 1 1 9  32 19 o 19.384  6.0027 0.4424   2.9201  17.024  7.4167 21.743  9.4405 -4.719460      12.00543 
1 1 1 9  32 21 f 28.319  6.5440 8.9798   2.7316  25.044  7.6198 31.595  10.641 -6.551613      13.08801 
1 1 1 9  32 23 o 14.728  4.9664 -6.0926  2.8920  14.725  6.7764 14.731  7.2624 -0.5608559E-02 9.932865 
1 1 1 9  32 25 o 17.736  5.6944 -0.5288  3.0107  16.532  7.4497 18.939  8.6142 -2.406975      11.38870 
1 1 1 9  32 27 o 24.977  6.6246 8.0357   2.9209  23.114  7.9925 26.840  10.567 -3.725775      13.24912 
1 1 1 9  32 29 o 20.094  6.0951 3.9040   2.9280  17.093  7.4762 23.095  9.6284 -6.001125      12.19014 
1 1 1 9  33 0  f 23.886  11.246 8.7753   6.0042  23.886  11.246 ?       ?      0.000000       0.000000 
1 1 1 9  33 2  o 27.578  6.6147 7.7135   3.0560  30.224  9.8399 24.933  8.8426 5.291378       13.22937 
1 1 1 9  33 4  o 20.250  6.2509 -0.3997  3.3751  20.123  8.7557 20.376  8.9237 -0.2529736     12.50183 
1 1 1 9  33 6  o 42.141  5.9691 19.488   3.4926  38.117  9.1829 46.164  7.6286 -8.046867      11.93822 
1 1 1 9  33 8  o 40.138  5.6344 17.599   3.0755  37.959  7.8689 42.316  8.0663 -4.356701      11.26878 
1 1 1 9  33 10 o 57.742  3.9985 34.500   3.2596  55.146  5.7579 60.338  5.5495 -5.191338      7.996931 
1 1 1 9  33 12 o 68.236  3.9806 48.532   3.7543  68.457  4.8913 68.014  6.2813 0.4433746      7.961170 
1 1 1 9  33 14 o 81.324  2.8535 67.031   3.1697  79.112  3.4298 83.535  4.5613 -4.422882      5.706977 
1 1 1 9  33 16 o 46.290  5.0558 22.796   3.2089  42.559  6.3756 50.021  7.8483 -7.461983      10.11160 
1 1 1 9  33 18 o 26.043  5.8506 6.6937   2.9697  32.693  7.7096 19.393  8.8022 13.29959       11.70114 
1 1 1 9  33 20 o 21.164  6.5122 2.2422   3.3969  17.855  7.8908 24.473  10.362 -6.617943      13.02439 
1 1 1 9  33 22 o 26.573  6.3483 8.6873   2.6408  25.659  7.4417 27.486  10.287 -1.826643      12.69655 
1 1 1 9  33 24 o 40.986  6.1471 21.242   3.2176  40.889  6.2125 41.084  10.609 -0.1950531     12.29422 
1 1 1 9  33 26 o 34.315  6.4460 18.060   3.5087  41.603  6.7998 27.028  10.953 14.57482       12.89201 
1 1 1 9  34 1  o 62.155  4.1524 40.355   3.6371  59.137  6.1504 65.174  5.5806 -6.037449      8.304872 
1 1 1 9  34 3  o 18.455  5.8249 -1.6661  3.0431  21.159  9.0906 15.751  7.2857 5.408129       11.64988 
1 1 1 9  34 5  o 31.951  6.7453 11.518   3.5207  38.121  9.1823 25.781  9.8835 12.34021       13.49068 
1 1 1 9  34 7  o 18.211  5.8181 -2.3817  3.1375  20.697  9.0314 15.726  7.3372 4.971251       11.63620 
1 1 1 9  34 9  o 25.648  6.6080 6.3256   3.2018  22.253  9.0066 29.043  9.6717 -6.790462      13.21595 
1 1 1 9  34 11 o 22.127  6.1144 2.3185   3.1697  18.230  8.5094 26.024  8.7824 -7.793917      12.22871 
1 1 1 9  34 13 o 36.686  6.3092 16.192   3.1557  41.207  6.0244 32.166  11.087 9.041336       12.61841 
1 1 1 9  34 15 o 29.440  6.0208 8.3156   2.8463  17.336  7.3846 41.544  9.5114 -24.20729      12.04153 
1 1 1 9  34 17 o 19.984  6.1734 1.7585   3.1022  17.853  7.7291 22.116  9.6282 -4.262728      12.34671 
1 1 1 9  34 19 o 49.610  4.7984 25.551   2.9747  41.640  5.2685 57.579  8.0213 -15.93862      9.596801 
1 1 1 9  34 21 o 75.855  3.6244 61.830   3.5575  73.843  3.8309 77.867  6.1538 -4.023994      7.248785 
1 1 1 9  34 23 o 43.813  6.3495 25.209   3.3834  46.542  5.5819 41.084  11.406 5.458263       12.69895 
1 1 1 9  34 25 o 18.010  5.7763 0.7873   3.1490  16.958  7.7189 19.063  8.5954 -2.105198      11.55258 
1 1 1 9  35 0  o 131.842 3.1129 175.506  8.1980  131.842 3.1129 ?       ?      0.000000       0.000000 
1 1 1 9  35 2  o 79.891  3.0405 65.801   3.4348  80.882  4.2827 78.900  4.3171 1.981766       6.081016 
1 1 1 9  35 4  o 47.721  5.6373 25.523   3.7217  47.004  8.4103 48.438  7.5088 -1.434544      11.27454 
1 1 1 9  35 6  o 43.859  5.7829 22.871   3.3574  34.659  9.9622 53.058  5.8757 -18.39870      11.56589 
1 1 1 9  35 8  o 71.130  3.6630 54.353   3.4977  77.024  4.0475 65.235  6.1064 11.78857       7.325988 
1 1 1 9  35 10 o 51.547  5.0040 29.399   3.5896  49.442  7.8235 53.652  6.2411 -4.209915      10.00790 
1 1 1 9  35 12 o 19.575  6.0328 0.0352   3.2878  20.855  8.4714 18.295  8.5916 2.559139       12.06569 
1 1 1 9  35 14 o 32.127  6.4096 13.728   3.2087  37.224  7.7050 27.031  10.245 10.19313       12.81925 
1 1 1 9  35 16 o 86.303  3.2147 78.051   3.6742  84.056  3.5715 88.551  5.3462 -4.494522      6.429398 
1 1 1 9  35 18 o 71.983  3.3448 55.879   3.3817  69.605  4.4789 74.360  4.9689 -4.755409      6.689560 
1 1 1 9  35 20 o 42.242  6.5871 23.763   3.6742  43.368  6.9223 41.115  11.209 2.253304       13.17423 
1 1 1 9  35 22 o 23.723  6.5569 8.0059   3.2835  25.239  8.7696 22.208  9.7502 3.030884       13.11381 
1 1 1 9  36 1  o 24.083  6.6425 5.7048   3.2187  22.528  8.8231 25.638  9.9319 -3.109486      13.28495 
1 1 1 9  36 3  o 44.720  5.8295 23.544   3.5447  39.655  9.4405 49.786  6.8417 -10.13126      11.65900 
1 1 1 9  36 5  o 19.689  5.9953 1.1784   3.0884  17.817  8.0864 21.561  8.8536 -3.744080      11.99069 
1 1 1 9  36 7  o 43.981  5.9390 23.688   3.5785  49.761  7.0771 38.201  9.5396 11.56025       11.87809 
1 1 1 9  36 9  o 24.839  6.9439 7.2468   3.6362  23.251  9.5665 26.426  10.067 -3.174692      13.88786 
1 1 1 9  36 11 o 32.656  6.8254 13.934   3.1662  32.700  7.5604 32.611  11.366 0.8871460E-01  13.65073 
1 1 1 9  36 13 o 58.052  4.6127 38.328   3.3568  59.662  4.4512 56.442  8.0806 3.220364       9.225455 
1 1 1 9  36 15 o 32.229  6.6055 14.314   3.0273  34.274  6.8112 30.183  11.320 4.091019       13.21106 
1 1 1 9  36 17 o 32.944  7.6450 16.097   3.6493  30.878  8.3852 35.011  12.786 -4.132631      15.29001 
1 1 1 9  36 19 o 68.053  4.9534 57.562   3.9428  74.655  4.0986 61.450  9.0191 13.20481       9.906736 
1 1 1 9  37 0  o 59.213  6.7821 38.796   7.8516  59.213  6.7821 ?       ?      0.000000       0.000000 
1 1 1 9  37 2  o 54.565  4.7988 34.029   3.6940  56.114  6.4817 53.016  7.0782 3.097576       9.597538 
1 1 1 9  37 4  o 31.639  6.3084 12.969   2.9398  32.129  9.1063 31.149  8.7327 0.9802761      12.61680 
1 1 1 9  37 6  o 26.486  7.2725 9.1602   3.9827  24.162  10.071 28.809  10.494 -4.646448      14.54491 
1 1 1 9  37 8  o 25.819  6.9326 9.0119   3.5447  24.285  9.8151 27.354  9.7933 -3.068747      13.86522 
1 1 1 9  37 10 o 20.704  6.2491 2.9664   3.3532  21.939  8.5621 19.469  9.1046 2.470634       12.49814 
1 1 1 9  37 12 o 32.586  6.4931 15.233   3.3863  38.817  7.2594 26.356  10.768 12.46135       12.98629 
1 1 1 9  37 14 o 47.494  5.9302 29.929   3.5355  50.149  5.7561 44.840  10.370 5.308617       11.86047 
1 1 1 9  37 16 o 17.115  5.8233 -2.8371  3.4137  15.181  6.9335 19.048  9.3580 -3.866488      11.64668 
1 1 1 9  38 1  o 54.235  5.1047 35.076   3.8865  59.278  6.9149 49.192  7.5112 10.08605       10.20950 
1 1 1 9  38 3  o 38.541  6.0882 19.481   3.3475  45.219  7.5327 31.864  9.5667 13.35518       12.17637 
1 1 1 9  38 5  o 17.180  5.7945 -4.6339  3.9249  16.644  7.9967 17.717  8.3878 -1.072685      11.58894 
1 1 1 9  38 7  o 20.780  6.3971 3.2539   3.6658  23.859  9.7517 17.700  8.2821 6.159098       12.79414 
1 1 1 9  38 9  o 14.156  4.8425 -5.0177  2.8720  13.571  6.4744 14.740  7.2029 -1.169575      9.685027 
1 1 1 9  38 11 o 19.562  6.2658 0.4126   3.8022  20.063  8.3006 19.062  9.3883 1.001270       12.53154 
1 1 1 9  39 0  f 76.471  4.7178 62.004   7.1588  76.471  4.7178 ?       ?      0.000000       0.000000 
1 1 1 10 1  1  o 638.458 4.0278 4088.54  35.692  645.576 5.0079 631.340 6.3096 14.23608       8.055500 
1 1 1 10 1  3  o 554.975 3.5040 3092.29  26.944  563.620 4.3226 546.329 5.5161 17.29156       7.008039 
1 1 1 10 1  5  o 338.912 2.4468 1149.17  11.719  348.280 3.3982 329.544 3.5213 18.73630       4.893565 
1 1 1 10 1  7  f 199.460 1.4944 397.831  4.2113  200.009 2.1649 198.911 2.0607 1.098618       2.988846 
1 1 1 10 1  9  o 441.733 2.7586 1951.82  17.232  437.924 3.9022 445.541 3.9003 -7.616974      5.517211 
1 1 1 10 1  11 o 509.629 3.0640 2597.85  22.081  508.486 4.3031 510.772 4.3629 -2.285767      6.127945 
1 1 1 10 1  13 o 518.295 3.1269 2686.82  22.919  515.289 4.4255 521.302 4.4188 -6.013855      6.253871 
1 1 1 10 1  15 o 333.540 2.1170 1110.98  9.9663  340.341 3.0703 326.739 2.9154 13.60132       4.233976 
1 1 1 10 1  17 o 440.690 2.6769 1938.99  16.633  449.449 3.9178 431.931 3.6489 17.51785       5.353840 
1 1 1 10 1  19 o 649.037 3.9175 4188.37  34.765  635.346 4.7069 662.728 6.2634 -27.38196      7.834913 
1 1 1 10 1  21 o 105.957 1.4848 110.668  2.0708  102.501 1.6334 109.413 2.4800 -6.912750      2.969550 
1 1 1 10 1  23 o 321.783 2.2623 1037.20  10.179  324.181 2.9028 319.385 3.4706 4.794983       4.524536 
1 1 1 10 1  25 o 63.059  1.9061 40.558   1.6043  66.405  2.0866 59.714  3.1905 6.691380       3.812227 
1 1 1 10 1  27 o 148.826 1.5291 221.633  3.0903  148.952 1.7829 148.701 2.4848 0.2507172      3.058244 
1 1 1 10 1  29 o 145.349 1.5438 210.605  3.0699  143.574 1.8497 147.123 2.4722 -3.549194      3.087557 
1 1 1 10 1  31 o 98.897  1.5651 99.312   2.0971  103.489 1.7851 94.306  2.5712 9.183647       3.130121 
1 1 1 10 1  33 o 47.236  2.9494 22.213   1.9204  45.913  3.6465 48.560  4.6367 -2.646320      5.898809 
1 1 1 10 1  35 o 54.909  2.5525 30.218   1.9204  54.726  3.0593 55.093  4.0868 -0.3676605     5.105049 
1 1 1 10 1  37 o 71.934  2.1946 52.998   2.1338  76.972  2.4751 66.896  3.6247 10.07620       4.389155 
1 1 1 10 1  39 o 50.059  3.1755 25.040   2.2279  46.013  4.3914 54.106  4.5882 -8.092236      6.351089 
1 1 1 10 1  41 o 34.320  4.8102 12.529   2.2501  34.454  6.6029 34.185  6.9966 0.2686234      9.620305 
1 1 1 10 1  43 o 21.160  5.6037 3.6510   2.2771  19.509  7.6780 22.811  8.1642 -3.302053      11.20738 
1 1 1 10 1  45 o 25.015  5.9652 6.3264   2.6265  28.854  8.4607 21.175  8.4114 7.679247       11.93042 
1 1 1 10 1  47 o 27.085  6.0170 8.6326   2.5662  28.194  8.6203 25.975  8.3970 2.218328       12.03409 
1 1 1 10 1  49 o 20.803  6.0819 4.0124   2.9477  20.033  8.8107 21.573  8.3864 -1.539570      12.16387 
1 1 1 10 2  0  o 669.519 5.6921 4484.88  76.207  669.519 5.6921 ?       ?      0.000000       0.000000 
1 1 1 10 2  2  o 100.101 1.2472 100.348  1.7566  101.370 1.6516 98.831  1.8693 2.538254       2.494400 
1 1 1 10 2  4  o 201.533 1.5291 405.853  4.3540  205.028 2.1963 198.039 2.1281 6.988403       3.058223 
1 1 1 10 2  6  o 223.341 1.5903 498.814  5.0220  220.097 2.2558 226.585 2.2422 -6.487564      3.180576 
1 1 1 10 2  8  o 307.972 1.9748 948.088  8.5959  303.138 2.7615 312.807 2.8238 -9.669678      3.949656 
1 1 1 10 2  10 o 680.951 3.9658 4639.60  38.190  682.736 5.5810 679.165 5.6358 3.571045       7.931564 
1 1 1 10 2  12 o 568.893 3.3511 3237.22  26.960  570.232 4.7483 567.554 4.7300 2.677734       6.702220 
1 1 1 10 2  14 o 295.337 1.9490 872.232  8.1386  294.106 2.7285 296.569 2.7837 -2.462280      3.897965 
1 1 1 10 2  16 o 39.347  2.1199 15.154   1.1490  42.574  3.2545 36.119  2.7172 6.454327       4.239725 
1 1 1 10 2  18 o 306.554 1.9760 934.507  8.5024  318.989 2.9320 294.119 2.6499 24.86966       3.952010 
1 1 1 10 2  20 o 205.643 1.5455 422.515  4.3374  204.973 1.8308 206.314 2.4905 -1.340149      3.090982 
1 1 1 10 2  22 o 190.933 2.0917 364.003  5.4834  192.179 3.3345 189.688 2.5261 2.491135       4.183373 
1 1 1 10 2  24 o 131.830 1.3673 175.395  2.4845  136.716 1.6469 126.945 2.1830 9.770798       2.734512 
1 1 1 10 2  26 o 186.744 1.8390 352.173  4.4882  190.657 1.9380 182.830 3.1261 7.826782       3.678090 
1 1 1 10 2  28 o 148.841 1.5393 221.537  3.1290  148.638 1.8255 149.045 2.4790 -0.4072113     3.078659 
1 1 1 10 2  30 o 123.393 1.4868 152.691  2.5298  124.501 1.8085 122.286 2.3606 2.215569       2.973675 
1 1 1 10 2  32 o 74.138  1.8050 54.361   1.8012  71.738  2.0924 76.538  2.9418 -4.799576      3.610000 
1 1 1 10 2  34 o 33.502  4.2591 11.679   1.9129  35.715  4.8494 31.289  7.0031 4.426249       8.518246 
1 1 1 10 2  36 o 16.990  4.8310 -0.0099  2.0058  20.255  7.2163 13.726  6.4248 6.528960       9.661953 
1 1 1 10 2  38 f 73.125  2.6105 52.862   2.5725  69.846  3.0583 76.404  4.2315 -6.558182      5.220983 
1 1 1 10 2  40 o 73.034  2.4039 54.171   2.4506  77.872  3.0396 68.195  3.7249 9.677628       4.807754 
1 1 1 10 2  42 o 49.892  3.4406 25.291   2.4234  47.654  4.9671 52.129  4.7622 -4.474495      6.881158 
1 1 1 10 2  44 o 30.653  4.9737 10.189   2.3955  40.761  5.8071 20.545  8.0763 20.21593       9.947302 
1 1 1 10 2  46 o 18.669  5.5269 1.1865   2.5110  16.519  7.3680 20.819  8.2402 -4.299824      11.05387 
1 1 1 10 2  48 f 17.553  5.2747 -0.9341  2.5610  22.631  8.6257 12.475  6.0735 10.15588       10.54944 
1 1 1 10 2  50 o 32.155  7.7168 17.275   4.5601  26.903  11.293 37.407  10.520 -10.50427      15.43364 
1 1 1 10 3  1  o 289.392 2.1376 836.899  8.3799  290.131 3.4823 288.653 2.4801 1.478455       4.275157 
1 1 1 10 3  3  o 119.046 1.2005 143.241  1.9813  112.644 1.8963 125.448 1.4727 -12.80399      2.401009 
1 1 1 10 3  5  o 667.974 3.9596 4459.94  37.346  655.459 5.4697 680.489 5.7267 -25.02997      7.919117 
1 1 1 10 3  7  o 633.824 3.7202 4020.42  33.333  635.083 5.1725 632.565 5.3482 2.518066       7.440327 
1 1 1 10 3  9  o 428.464 2.6391 1836.14  15.990  425.534 3.7174 431.393 3.7472 -5.858765      5.278262 
1 1 1 10 3  11 o 636.697 3.6963 4054.91  33.280  642.638 5.2285 630.755 5.2263 11.88306       7.392641 
1 1 1 10 3  13 o 852.887 4.8515 7278.02  58.501  852.624 6.9540 853.150 6.7670 -0.5263672     9.703049 
1 1 1 10 3  15 o 450.981 2.7014 2031.80  17.208  441.268 3.7549 460.694 3.8848 -19.42596      5.402855 
1 1 1 10 3  17 o 168.811 1.3902 284.465  3.3133  162.639 1.9524 174.984 1.9796 -12.34505      2.780360 
1 1 1 10 3  19 o 369.932 2.4482 1370.53  12.786  379.235 3.3339 360.630 3.5860 18.60492       4.896332 
1 1 1 10 3  21 o 388.902 2.5325 1512.84  13.617  388.583 3.1200 389.222 3.9900 -0.6385498     5.065032 
1 1 1 10 3  23 o 62.989  1.9403 41.765   1.5979  72.156  2.0003 53.821  3.3253 18.33496       3.880517 
1 1 1 10 3  25 o 221.025 1.9856 492.394  5.6844  224.496 2.0573 217.553 3.3967 6.942841       3.971199 
1 1 1 10 3  27 o 153.628 1.7166 233.530  3.3723  150.378 1.7660 156.878 2.9441 -6.500122      3.433104 
1 1 1 10 3  29 o 17.472  4.2011 1.8082   1.5032  21.872  5.9247 13.071  5.9578 8.800351       8.402179 
1 1 1 10 3  31 o 27.372  4.1479 7.8432   1.5829  31.088  4.8283 23.656  6.7460 7.432186       8.295893 
1 1 1 10 3  33 o 174.803 1.5926 306.549  3.8351  176.375 1.9312 173.230 2.5328 3.144531       3.185115 
1 1 1 10 3  35 o 114.899 1.6270 132.401  2.6011  115.769 2.0446 114.029 2.5315 1.739296       3.254038 
1 1 1 10 3  37 o 58.051  2.4978 33.750   2.0393  57.071  3.3382 59.031  3.7164 -1.959484      4.995546 
1 1 1 10 3  39 o 23.880  5.0662 4.8402   2.1111  15.867  6.7767 31.893  7.5328 -16.02617      10.13250 
1 1 1 10 3  41 o 21.379  5.4488 3.9835   2.1361  23.024  7.7923 19.733  7.6182 3.290899       10.89761 
1 1 1 10 3  43 o 16.980  5.1330 0.1504   2.1923  18.007  7.5123 15.952  6.9968 2.054441       10.26594 
1 1 1 10 3  45 o 21.051  5.7739 3.2158   2.4951  24.133  8.7308 17.969  7.5580 6.164284       11.54777 
1 1 1 10 3  47 o 46.362  4.2717 23.270   2.7973  48.110  6.0000 44.614  6.0820 3.495968       8.543468 
1 1 1 10 3  49 o 20.194  6.3583 2.1990   3.2856  21.502  10.062 18.885  7.7764 2.617107       12.71653 
1 1 1 10 4  0  o 775.578 6.3728 6019.17  98.838  775.578 6.3728 ?       ?      0.000000       0.000000 
1 1 1 10 4  2  o 232.264 1.7390 537.776  5.6945  241.695 2.5081 222.833 2.4095 18.86197       3.477928 
1 1 1 10 4  4  o 404.326 2.6816 1641.45  14.999  397.956 4.2361 410.696 3.2894 -12.73953      5.363262 
1 1 1 10 4  6  o 364.755 2.3632 1336.83  12.020  355.741 3.6677 373.769 2.9811 -18.02805      4.726392 
1 1 1 10 4  8  o 477.141 3.2895 2275.83  21.905  479.159 5.0604 475.123 4.2043 4.036133       6.579040 
1 1 1 10 4  10 o 289.142 1.9288 836.611  7.8804  283.122 2.7936 295.162 2.6601 -12.04016      3.857503 
1 1 1 10 4  12 o 741.803 4.2516 5503.00  44.560  746.841 6.1455 736.765 5.8769 10.07690       8.503273 
1 1 1 10 4  14 f 539.963 3.2215 2916.90  24.593  534.755 4.6207 545.170 4.4901 -10.41516      6.442943 
1 1 1 10 4  16 o 236.102 1.5984 555.438  5.3139  244.293 2.3396 227.912 2.1785 16.38052       3.196792 
1 1 1 10 4  18 f 548.404 3.2732 2997.40  25.276  528.315 4.4694 568.493 4.7832 -40.17786      6.546308 
1 1 1 10 4  20 o 96.038  1.5214 93.345   1.9794  99.587  1.7392 92.490  2.4968 7.096878       3.042805 
1 1 1 10 4  22 o 293.195 2.0233 860.450  8.2583  294.101 2.5519 292.290 3.1405 1.810883       4.046626 
1 1 1 10 4  24 o 88.046  1.4876 78.170   1.7815  90.344  1.7254 85.748  2.4238 4.595734       2.975182 
1 1 1 10 4  26 o 112.479 1.4097 127.408  2.2193  118.332 1.8052 106.627 2.1658 11.70515       2.819438 
1 1 1 10 4  28 o 153.080 1.4967 235.442  3.1602  155.690 1.8170 150.470 2.3788 5.220398       2.993365 
1 1 1 10 4  30 o 73.583  1.7128 54.980   1.6839  76.494  1.8868 70.671  2.8592 5.823372       3.425659 
1 1 1 10 4  32 o 41.523  2.8975 17.192   1.6909  39.725  3.9239 43.321  4.2645 -3.596443      5.795082 
1 1 1 10 4  34 o 81.108  1.8327 64.948   2.0752  73.614  2.5096 88.602  2.6715 -14.98803      3.665404 
1 1 1 10 4  36 o 23.750  4.2443 5.1244   1.8144  32.461  5.3355 15.040  6.6020 17.42138       8.488503 
1 1 1 10 4  38 o 115.794 1.6981 134.706  2.7663  118.372 2.2435 113.215 2.5497 5.157646       3.396197 
1 1 1 10 4  40 o 41.141  3.6265 17.214   2.1068  41.992  4.9494 40.290  5.3017 1.701954       7.252915 
1 1 1 10 4  42 o 72.233  2.3760 52.604   2.4234  75.295  3.2970 69.170  3.4220 6.125259       4.751902 
1 1 1 10 4  44 o 17.710  5.2542 0.9327   2.2133  18.939  7.7837 16.480  7.0597 2.458681       10.50833 
1 1 1 10 4  46 o 17.319  5.3305 -0.3625  2.4610  20.209  8.3244 14.430  6.6603 5.778265       10.66094 
1 1 1 10 4  48 o 18.468  5.5156 1.6037   2.5659  16.997  7.7321 19.938  7.8677 -2.941139      11.03113 
1 1 1 10 4  50 o 21.024  7.0995 1.5576   5.3213  23.484  11.196 18.564  8.7331 4.920635       14.19898 
1 1 1 10 5  1  f 314.263 2.0783 987.524  9.2339  310.453 2.9196 318.074 2.9585 -7.621277      4.156569 
1 1 1 10 5  3  o 144.172 2.4164 220.009  3.7921  133.788 4.4878 154.556 1.7930 -20.76813      4.832721 
1 1 1 10 5  5  o 140.385 1.2380 200.648  2.3677  131.378 2.0214 149.393 1.4299 -18.01463      2.475999 
1 1 1 10 5  7  o 272.937 1.9231 748.466  7.1296  269.060 3.1327 276.814 2.2316 -7.754272      3.846299 
1 1 1 10 5  9  o 359.231 2.3936 1286.20  11.708  363.118 3.8635 355.343 2.8270 7.774963       4.787283 
1 1 1 10 5  11 o 1056.99 6.4878 11202.33 96.415  1041.39 9.7626 1072.60 8.5474 -31.20862      12.97558 
1 1 1 10 5  13 o 638.725 3.6591 4080.86  33.049  637.303 5.1364 640.146 5.2128 -2.843201      7.318132 
1 1 1 10 5  15 f 360.500 2.2304 1298.41  11.359  352.895 3.1083 368.105 3.1995 -15.21024      4.460749 
1 1 1 10 5  17 o 199.660 1.5740 396.736  4.4086  193.141 2.0924 206.178 2.3521 -13.03734      3.148086 
1 1 1 10 5  19 o 101.863 1.2418 103.462  1.7823  104.895 1.8163 98.831  1.6940 6.063377       2.483662 
1 1 1 10 5  21 o 94.772  1.3598 90.945   1.7729  99.586  1.6232 89.959  2.1820 9.627419       2.719555 
1 1 1 10 5  23 f 382.612 2.5946 1460.39  13.491  379.062 3.0461 386.162 4.2010 -7.099487      5.189134 
1 1 1 10 5  25 o 360.394 2.5330 1302.40  12.766  364.423 3.2476 356.365 3.8881 8.058746       5.065995 
1 1 1 10 5  27 o 148.934 1.5196 221.318  3.1081  147.547 1.8390 150.321 2.4196 -2.773804      3.039133 
1 1 1 10 5  29 o 150.267 1.4453 225.311  3.0206  148.356 1.8290 152.179 2.2383 -3.823425      2.890527 
1 1 1 10 5  31 o 119.537 1.4447 143.349  2.4028  121.065 1.8121 118.009 2.2504 3.056656       2.889303 
1 1 1 10 5  33 o 122.599 1.5555 149.628  2.6321  120.048 1.9236 125.150 2.4449 -5.102196      3.110939 
1 1 1 10 5  35 o 99.686  1.6375 99.331   2.3035  97.116  2.2590 102.256 2.3713 -5.139450      3.275029 
1 1 1 10 5  37 o 59.799  2.4935 35.922   2.1068  60.575  3.4311 59.024  3.6190 1.551281       4.986943 
1 1 1 10 5  39 o 26.827  5.1707 7.6405   2.0140  26.293  7.6598 27.360  6.9478 -1.067163      10.34139 
1 1 1 10 5  41 o 13.719  4.4891 -5.0897  2.1615  16.825  7.2804 10.613  5.2540 6.212825       8.978196 
1 1 1 10 5  43 o 15.555  4.7749 -1.6518  2.0719  19.126  7.6301 11.984  5.7429 7.142030       9.549808 
1 1 1 10 5  45 o 15.712  4.9753 -1.6656  2.3078  17.411  7.4983 14.014  6.5414 3.396743       9.950566 
1 1 1 10 5  47 o 16.548  5.2722 -0.8679  2.5554  17.074  7.8333 16.023  7.0586 1.051529       10.54443 
1 1 1 10 5  49 o 16.200  5.3403 -3.4324  3.1238  15.064  7.3422 17.335  7.7569 -2.270521      10.68069 
1 1 1 10 6  0  o 58.774  1.7716 34.639   2.0784  58.774  1.7716 ?       ?      0.000000       0.000000 
1 1 1 10 6  2  o 272.291 1.9038 740.424  7.3206  281.947 2.7029 262.636 2.6818 19.31143       3.807560 
1 1 1 10 6  4  o 479.354 3.0320 2298.89  20.553  483.882 4.2594 474.827 4.3163 9.055756       6.064064 
1 1 1 10 6  6  o 287.394 2.0023 819.885  8.0354  298.940 3.0320 275.849 2.6161 23.09122       4.004663 
1 1 1 10 6  8  o 799.728 4.7386 6403.16  52.210  798.049 7.5236 801.408 5.7631 -3.359070      9.477182 
1 1 1 10 6  10 o 858.683 5.1355 7377.24  60.841  858.864 8.1268 858.503 6.2809 0.3610840      10.27109 
1 1 1 10 6  12 o 809.779 4.7956 6574.56  53.802  802.451 7.5398 817.106 5.9279 -14.65436      9.591103 
1 1 1 10 6  14 o 879.977 5.1286 7758.53  62.329  875.633 8.1096 884.321 6.2804 -8.687805      10.25715 
1 1 1 10 6  16 o 974.665 5.4663 9506.31  75.280  981.542 7.8934 967.787 7.5641 13.75531       10.93257 
1 1 1 10 6  18 o 668.383 3.8787 4469.19  36.634  672.853 5.5943 663.913 5.3740 8.940002       7.757312 
1 1 1 10 6  20 o 490.131 3.1881 2404.98  21.981  491.631 4.2275 488.631 4.7733 2.999664       6.376211 
1 1 1 10 6  22 o 136.910 1.3898 188.797  2.6243  140.834 1.6807 132.986 2.2140 7.848297       2.779698 
1 1 1 10 6  24 o 193.883 1.7065 376.184  4.6763  190.101 2.4599 197.664 2.3658 -7.563354      3.412932 
1 1 1 10 6  26 f 87.578  1.4295 76.640   1.7376  87.153  1.7886 88.003  2.2305 -0.8502884     2.859026 
1 1 1 10 6  28 o 130.338 1.3998 169.824  2.5428  129.812 1.7789 130.863 2.1617 -1.050491      2.799580 
1 1 1 10 6  30 o 104.374 1.4076 108.537  2.0639  101.060 1.8852 107.688 2.0908 -6.627266      2.815214 
1 1 1 10 6  32 o 52.404  2.2344 27.632   1.6408  50.691  3.4167 54.116  2.8804 -3.424728      4.468852 
1 1 1 10 6  34 o 107.458 1.4878 115.968  2.2501  111.356 1.9701 103.560 2.2299 7.796333       2.975531 
1 1 1 10 6  36 o 34.990  3.5507 12.181   1.7376  37.849  5.1861 32.131  4.8513 5.718185       7.101427 
1 1 1 10 6  38 o 72.706  2.0215 53.056   2.0784  73.301  2.8354 72.110  2.8822 1.191078       4.043063 
1 1 1 10 6  40 o 30.837  4.4874 10.334   1.9629  22.219  7.4697 39.456  4.9750 -17.23680      8.974816 
1 1 1 10 6  42 o 32.216  4.8174 11.611   2.1338  25.465  8.3022 38.968  4.8891 -13.50320      9.634762 
1 1 1 10 6  44 o 29.209  5.5278 9.6501   2.3039  26.345  9.2970 32.073  5.9827 -5.728367      11.05559 
1 1 1 10 6  46 o 26.730  5.6363 7.7306   2.3176  33.190  8.4890 20.271  7.4167 12.91866       11.27257 
1 1 1 10 6  48 o 22.749  5.1476 4.0229   2.5350  14.155  6.7585 31.343  7.7661 -17.18749      10.29510 
1 1 1 10 6  50 o 32.961  7.1035 16.281   3.1975  34.302  12.114 31.621  7.4223 2.680689       14.20703 
1 1 1 10 7  1  o 584.942 3.5662 3420.28  29.451  576.877 4.9038 593.007 5.1793 -16.12958      7.132478 
1 1 1 10 7  3  o 311.923 2.1781 970.365  9.5742  302.681 2.9755 321.164 3.1817 -18.48239      4.356260 
1 1 1 10 7  5  o 441.685 2.7264 1950.60  17.024  448.454 3.8750 434.917 3.8363 13.53690       5.452741 
1 1 1 10 7  7  o 336.886 2.2357 1135.07  10.652  336.449 3.1573 337.323 3.1662 -0.8737488     4.471437 
1 1 1 10 7  9  o 406.626 2.7089 1651.80  15.051  408.170 4.3564 405.081 3.2210 3.089172       5.417826 
1 1 1 10 7  11 o 676.041 4.0472 4569.25  37.652  677.556 6.4331 674.526 4.9128 3.029785       8.094489 
1 1 1 10 7  13 o 609.191 3.8139 3701.32  31.597  614.862 6.1689 603.521 4.4864 11.34100       7.627781 
1 1 1 10 7  15 f 899.871 5.2351 8100.14  65.160  902.007 8.2373 897.734 6.4630 4.273132       10.47019 
1 1 1 10 7  17 o 602.335 3.6612 3638.20  30.595  596.463 5.7397 608.208 4.5468 -11.74506      7.322389 
1 1 1 10 7  19 o 361.001 2.4203 1299.41  11.924  364.841 3.8927 357.161 2.8772 7.679504       4.840610 
1 1 1 10 7  21 o 509.741 3.1998 2593.92  22.337  505.361 3.8385 514.122 5.1206 -8.761414      6.399519 
1 1 1 10 7  23 o 455.233 2.9046 2076.44  18.322  457.279 3.5982 453.188 4.5606 4.091461       5.809140 
1 1 1 10 7  25 o 304.392 2.2094 928.879  9.4174  307.832 2.8507 300.952 3.3763 6.880035       4.418762 
1 1 1 10 7  27 o 269.793 2.0119 726.205  7.4628  266.765 2.4455 272.822 3.1953 -6.056641      4.023767 
1 1 1 10 7  29 o 11.636  3.5795 -1.5010  1.2124  9.0091  4.3604 14.264  5.6778 -5.254579      7.158991 
1 1 1 10 7  31 o 103.733 1.3783 107.699  2.0190  104.208 1.8836 103.258 2.0128 0.9495926      2.756696 
1 1 1 10 7  33 o 70.293  1.6566 49.472   1.6449  72.838  2.2986 67.748  2.3860 5.089203       3.313109 
1 1 1 10 7  35 o 109.768 1.4892 120.730  2.3078  111.034 2.0278 108.502 2.1815 2.531586       2.978451 
1 1 1 10 7  37 f 130.392 1.5359 170.475  2.8277  132.411 2.0928 128.373 2.2486 4.038696       3.071846 
1 1 1 10 7  39 o 102.859 1.6676 106.170  2.4248  104.627 2.3175 101.091 2.3986 3.536049       3.335295 
1 1 1 10 7  41 o 42.055  3.7194 17.619   2.0708  44.139  6.1474 39.972  4.1886 4.167233       7.438752 
1 1 1 10 7  43 o 31.864  4.8189 10.778   2.0183  33.360  7.7549 30.368  5.7227 2.991816       9.637835 
1 1 1 10 7  45 o 18.901  5.0829 1.6435   2.1923  14.809  6.8954 22.994  7.4697 -8.185576      10.16579 
1 1 1 10 7  47 o 17.733  5.3618 1.5348   2.2980  19.795  8.3006 15.671  6.7895 4.124073       10.72367 
1 1 1 10 7  49 o 22.525  6.7309 5.1518   2.8913  27.609  11.385 17.440  7.1837 10.16913       13.46174 
1 1 1 10 8  0  o 909.357 7.4735 8274.89  135.902 909.357 7.4735 ?       ?      0.000000       0.000000 
1 1 1 10 8  2  o 259.850 1.8309 674.764  6.7108  262.248 2.6858 257.452 2.4891 4.796356       3.661825 
1 1 1 10 8  4  o 309.680 2.0828 958.788  9.1184  304.022 2.9434 315.337 2.9476 -11.31464      4.165555 
1 1 1 10 8  6  o 640.251 3.8418 4093.49  34.670  651.910 5.6412 628.591 5.2167 23.31897       7.683574 
1 1 1 10 8  8  o 559.141 3.3803 3126.82  26.727  554.254 4.7706 564.029 4.7903 -9.774841      6.760620 
1 1 1 10 8  10 o 589.721 3.7505 3473.65  30.963  595.039 5.7049 584.403 4.8703 10.63593       7.501050 
1 1 1 10 8  12 o 364.488 2.4607 1331.58  12.356  361.495 3.9128 367.481 2.9850 -5.986237      4.921338 
1 1 1 10 8  14 o 1295.33 9.2938 16859.35 168.635 1312.41 12.005 1278.24 14.191 34.17236       18.58757 
1 1 1 10 8  16 o 419.425 2.7598 1747.94  15.541  426.939 4.5300 411.910 3.1535 15.02853       5.519574 
1 1 1 10 8  18 o 333.752 2.1669 1117.11  9.9938  330.195 3.4269 337.309 2.6529 -7.113922      4.333785 
1 1 1 10 8  20 o 214.085 1.7585 452.364  5.0666  221.773 2.8635 206.396 2.0419 15.37718       3.517000 
1 1 1 10 8  22 o 266.513 2.0177 709.947  7.5522  264.756 2.6603 268.270 3.0343 -3.514557      4.035409 
1 1 1 10 8  24 f 242.917 1.9577 589.859  6.7158  239.274 2.7023 246.560 2.8332 -7.285934      3.915340 
1 1 1 10 8  26 o 108.945 1.3709 118.895  2.1037  107.380 2.0430 110.510 1.8285 -3.129570      2.741768 
1 1 1 10 8  28 o 118.907 1.2215 141.404  2.0393  118.668 1.6055 119.147 1.8413 -0.4791412     2.442913 
1 1 1 10 8  30 o 152.952 1.3624 234.212  2.9432  154.747 1.8654 151.158 1.9861 3.589111       2.724716 
1 1 1 10 8  32 o 128.025 1.8954 164.797  3.0315  128.994 1.8350 127.057 3.3170 1.937592       3.790724 
1 1 1 10 8  34 o 51.170  1.8560 26.461   1.3253  48.120  2.8794 54.221  2.3425 -6.100807      3.711920 
1 1 1 10 8  36 o 64.555  1.8571 42.049   1.6563  62.662  2.9482 66.447  2.2590 -3.784492      3.714191 
1 1 1 10 8  38 o 16.178  4.3815 1.2659   1.4989  14.495  6.5061 17.861  5.8705 -3.366852      8.763096 
1 1 1 10 8  40 o 59.681  2.2054 35.662   1.8023  60.639  3.5226 58.723  2.6545 1.916683       4.410796 
1 1 1 10 8  42 o 55.293  2.7556 31.837   1.9580  52.052  4.7693 58.534  2.7617 -6.482166      5.511165 
1 1 1 10 8  44 o 22.502  5.0570 5.2536   1.8797  20.053  7.9488 24.951  6.2538 -4.898762      10.11402 
1 1 1 10 8  46 o 16.059  4.8506 0.7238   1.8819  17.997  7.5106 14.121  6.1402 3.876447       9.701110 
1 1 1 10 8  48 o 16.786  4.9988 1.3856   2.0784  15.977  7.2859 17.596  6.8460 -1.619563      9.997586 
1 1 1 10 9  1  f 324.134 2.2134 1051.66  10.122  327.867 2.9934 320.402 3.2614 7.465424       4.426885 
1 1 1 10 9  3  o 601.300 3.7063 3611.56  31.450  612.779 5.3890 589.822 5.0898 22.95685       7.412678 
1 1 1 10 9  5  o 449.713 2.8188 2022.17  17.920  440.170 4.0004 459.256 3.9724 -19.08667      5.637609 
1 1 1 10 9  7  o 535.915 3.2187 2872.93  24.392  531.918 4.5911 539.912 4.5124 -7.993652      6.437376 
1 1 1 10 9  9  o 553.660 3.3696 3066.30  26.384  552.773 4.7834 554.547 4.7473 -1.773376      6.739264 
1 1 1 10 9  11 o 690.656 3.9810 4772.16  38.883  694.266 5.6130 687.045 5.6468 7.220947       7.961933 
1 1 1 10 9  13 o 340.728 2.3033 1167.08  10.915  331.980 3.5998 349.476 2.8744 -17.49619      4.606609 
1 1 1 10 9  15 o 365.219 2.4226 1328.77  12.025  369.755 3.9190 360.683 2.8491 9.071777       4.845242 
1 1 1 10 9  17 o 573.435 3.6076 3296.52  28.272  570.011 5.8136 576.860 4.2734 -6.848389      7.215294 
1 1 1 10 9  19 o 462.610 3.0001 2137.70  19.303  466.530 4.6529 458.690 3.7885 7.840424       6.000201 
1 1 1 10 9  21 o 493.861 3.2419 2444.50  22.583  501.849 4.3715 485.874 4.7885 15.97559       6.483806 
1 1 1 10 9  23 o 234.682 2.2321 554.769  7.1935  240.457 2.6650 228.906 3.5814 11.55095       4.464154 
1 1 1 10 9  25 o 299.110 3.2147 895.946  13.582  297.303 4.4275 300.918 4.6621 -3.614136      6.429394 
1 1 1 10 9  27 o 192.553 2.1915 369.047  5.6623  189.572 2.4972 195.534 3.6021 -5.962677      4.383067 
1 1 1 10 9  29 o 194.071 2.1484 373.771  5.5113  190.025 2.3698 198.117 3.5843 -8.092072      4.296835 
1 1 1 10 9  31 o 94.749  2.1978 89.558   2.8329  93.558  2.5917 95.940  3.5503 -2.382408      4.395668 
1 1 1 10 9  33 o 44.616  4.5207 22.161   2.4167  52.865  3.9315 36.367  8.1418 16.49831       9.041354 
1 1 1 10 9  35 o 101.740 3.3956 102.804  4.4850  99.062  3.6133 104.417 5.7502 -5.355171      6.791184 
1 1 1 10 9  37 o 35.087  5.4365 13.270   1.8395  37.135  3.2648 33.039  10.371 4.095833       10.87306 
1 1 1 10 9  39 o 75.705  2.5551 55.915   2.3344  72.027  2.4046 79.383  4.5090 -7.356316      5.110109 
1 1 1 10 9  41 o 43.646  5.0417 20.891   2.4114  46.939  3.8128 40.352  9.3348 6.586586       10.08344 
1 1 1 10 9  43 o 43.851  7.0824 25.020   2.9885  52.507  3.6284 35.195  13.692 17.31128       14.16488 
1 1 1 10 9  45 o 30.599  6.1120 11.104   2.7039  33.351  6.4624 27.847  10.376 5.503534       12.22400 
1 1 1 10 9  47 o 34.847  6.1789 15.414   2.8920  36.284  6.6091 33.411  10.442 2.873566       12.35782 
1 1 1 10 9  49 o 19.483  5.9969 0.6877   3.6193  22.337  8.7372 16.629  8.2166 5.708380       11.99385 
1 1 1 10 10 0  o 208.508 2.4928 434.955  10.392  208.508 2.4928 ?       ?      0.000000       0.000000 
1 1 1 10 10 2  o 306.358 2.1122 938.451  9.1461  304.747 2.9364 307.968 3.0369 -3.221100      4.224324 
1 1 1 10 10 4  o 305.456 2.0649 933.136  8.9195  305.031 2.9336 305.882 2.9066 -0.8507385     4.129719 
1 1 1 10 10 6  o 276.229 1.9070 762.975  7.4457  283.146 2.6710 269.311 2.7225 13.83521       3.813980 
1 1 1 10 10 8  o 248.099 1.7441 615.372  6.1174  251.764 2.4766 244.434 2.4563 7.329254       3.488124 
1 1 1 10 10 10 o 455.670 2.9027 2076.76  18.704  456.809 4.1327 454.531 4.0772 2.278503       5.805382 
1 1 1 10 10 12 o 603.880 3.6095 3645.74  30.798  612.715 5.1917 595.045 5.0160 17.66907       7.219039 
1 1 1 10 10 14 o 544.725 3.3679 2972.84  25.425  541.502 5.2881 547.947 4.1723 -6.444702      6.735883 
1 1 1 10 10 16 o 314.795 2.2004 988.343  9.4485  317.724 3.5433 311.865 2.6102 5.859375       4.400878 
1 1 1 10 10 18 o 303.492 2.1240 923.924  9.0110  298.557 3.2680 308.427 2.7142 -9.869904      4.248096 
1 1 1 10 10 20 o 180.476 2.0017 325.755  5.1078  178.126 2.8198 182.826 2.8420 -4.699997      4.003490 
1 1 1 10 10 22 o 290.341 2.5884 840.523  10.100  287.406 2.9528 293.276 4.2520 -5.870392      5.176778 
1 1 1 10 10 24 o 115.205 1.9450 133.714  2.9697  117.148 2.1191 113.262 3.2622 3.885918       3.890092 
1 1 1 10 10 26 o 125.699 1.9484 157.431  3.3475  123.834 2.3310 127.563 3.1228 -3.728882      3.896867 
1 1 1 10 10 28 o 139.146 2.1274 192.444  3.8640  136.968 2.2761 141.323 3.5949 -4.354919      4.254882 
1 1 1 10 10 30 o 187.893 2.1012 356.014  5.3655  192.065 2.4348 183.721 3.4252 8.344284       4.202392 
1 1 1 10 10 32 o 75.482  3.0846 57.037   3.2654  73.754  4.0704 77.211  4.6359 -3.457146      6.169264 
1 1 1 10 10 34 o 25.000  5.8362 3.2884   2.8127  15.075  6.9401 34.925  9.3850 -19.85027      11.67230 
1 1 1 10 10 36 o 23.546  6.4214 3.7003   3.0755  24.917  9.0061 22.176  9.1558 2.741327       12.84284 
1 1 1 10 10 38 o 59.463  3.7958 35.182   3.1290  52.775  5.1415 66.151  5.5855 -13.37581      7.591646 
1 1 1 10 10 40 o 27.323  6.4012 7.0134   3.1165  32.549  9.0681 22.097  9.0373 10.45176       12.80247 
1 1 1 10 10 42 o 37.444  6.5234 15.347   3.3677  32.170  8.7450 42.718  9.6822 -10.54847      13.04683 
1 1 1 10 10 44 o 19.858  6.1613 -1.1001  3.4476  20.877  8.4745 18.840  8.9459 2.037058       12.32255 
1 1 1 10 10 46 o 25.182  6.5964 6.5233   3.5503  31.403  9.9863 18.960  8.6211 12.44312       13.19275 
1 1 1 10 10 48 o 27.353  6.8715 10.611   3.3395  27.469  9.9456 27.237  9.4844 0.2326698      13.74299 
1 1 1 10 11 1  o 468.970 2.9073 2199.48  19.280  473.093 4.1247 464.847 4.0985 8.245728       5.814671 
1 1 1 10 11 3  o 720.043 4.2856 5182.96  43.602  708.147 5.9677 731.939 6.1523 -23.79236      8.571135 
1 1 1 10 11 5  f 1046.86 6.0049 10965.41 88.867  1034.20 8.4126 1059.52 8.5711 -25.32581      12.00979 
1 1 1 10 11 7  o 698.395 4.1736 4879.84  41.219  697.984 5.8643 698.806 5.9401 -0.8219604     8.347154 
1 1 1 10 11 9  o 395.982 2.5927 1568.07  14.517  392.339 3.6493 399.626 3.6839 -7.287506      5.185395 
1 1 1 10 11 11 o 276.084 1.8718 762.719  7.3021  272.288 2.7139 279.880 2.5784 -7.591614      3.743502 
1 1 1 10 11 13 o 323.012 2.1235 1043.68  9.6990  319.974 3.0312 326.050 2.9747 -6.076843      4.246999 
1 1 1 10 11 15 o 146.170 1.5689 216.922  3.0508  140.459 2.6306 151.881 1.7105 -11.42168      3.137793 
1 1 1 10 11 17 o 148.894 1.4775 220.505  3.0107  151.643 2.3604 146.145 1.7777 5.497955       2.954934 
1 1 1 10 11 19 o 121.254 1.7570 147.442  2.9976  118.229 2.6369 124.278 2.3227 -6.049622      3.513978 
1 1 1 10 11 21 o 97.779  2.2066 96.551   2.8720  100.093 2.4225 95.466  3.6889 4.626968       4.413260 
1 1 1 10 11 23 o 65.347  2.7534 43.466   2.4489  69.111  3.1744 61.583  4.4999 7.527599       5.506851 
1 1 1 10 11 25 o 176.294 2.1745 308.910  5.1029  173.206 2.4332 179.383 3.6046 -6.176437      4.348974 
1 1 1 10 11 27 o 269.453 2.6343 724.377  9.4586  266.735 2.9436 272.172 4.3696 -5.436798      5.268608 
1 1 1 10 11 29 o 188.004 2.3935 353.004  6.2870  184.890 3.0913 191.118 3.6551 -6.228333      4.787065 
1 1 1 10 11 31 o 24.251  6.2776 4.8024   2.7334  23.160  8.0861 25.342  9.6046 -2.182537      12.55521 
1 1 1 10 11 33 o 58.909  3.8962 35.641   2.8920  61.037  3.7834 56.781  6.8122 4.255993       7.792356 
1 1 1 10 11 35 f 96.043  2.7638 93.414   3.5458  97.967  3.0644 94.120  4.6005 3.847687       5.527615 
1 1 1 10 11 37 o 126.717 2.4255 161.867  4.1403  127.468 2.7628 125.965 3.9874 1.503174       4.850988 
1 1 1 10 11 39 o 89.226  3.0337 78.840   3.7244  82.223  3.8618 96.228  4.6796 -14.00536      6.067303 
1 1 1 10 11 41 o 62.967  4.1154 40.281   3.5629  51.644  6.0366 74.290  5.5953 -22.64588      8.230866 
1 1 1 10 11 43 o 20.407  6.0850 -0.5088  3.3436  23.597  8.9878 17.218  8.2053 6.379335       12.16999 
1 1 1 10 11 45 o 16.395  5.5964 -8.1874  3.7019  13.917  6.8259 18.872  8.8706 -4.955116      11.19286 
1 1 1 10 11 47 o 23.258  5.7733 3.5675   3.2678  31.074  8.7395 15.441  7.5463 15.63240       11.54663 
1 1 1 10 12 0  o 945.740 7.5889 8949.43  143.523 945.740 7.5889 ?       ?      0.000000       0.000000 
1 1 1 10 12 2  o 444.931 2.8758 1977.86  18.075  454.634 4.1271 435.229 4.0060 19.40408       5.751557 
1 1 1 10 12 4  o 362.663 2.4494 1315.05  12.538  364.205 3.5825 361.121 3.3413 3.083557       4.898790 
1 1 1 10 12 6  o 442.814 2.7697 1959.12  17.327  432.087 3.8748 453.540 3.9588 -21.45285      5.539483 
1 1 1 10 12 8  o 289.008 2.0340 835.227  8.3118  286.301 2.8634 291.714 2.8894 -5.412354      4.067927 
1 1 1 10 12 10 o 535.049 3.3113 2863.81  25.051  532.323 4.6418 537.776 4.7236 -5.452820      6.622577 
1 1 1 10 12 12 o 432.443 2.6755 1867.20  16.324  422.051 3.6796 442.835 3.8850 -20.78442      5.350998 
1 1 1 10 12 14 o 326.814 2.7749 1068.24  12.181  327.102 4.5713 326.526 3.1472 0.5755615      5.549876 
1 1 1 10 12 16 o 500.906 3.3555 2513.69  23.692  495.483 4.9753 506.329 4.5038 -10.84555      6.711038 
1 1 1 10 12 18 o 354.366 2.7467 1254.70  13.742  363.225 3.9577 345.507 3.8098 17.71860       5.493413 
1 1 1 10 12 20 o 100.669 1.7202 99.761   2.0384  102.979 3.0834 98.359  1.5261 4.620186       3.440406 
1 1 1 10 12 22 o 69.261  3.1788 50.376   2.5273  73.960  2.5759 64.563  5.8123 9.397179       6.357571 
1 1 1 10 12 24 o 83.392  2.2578 68.281   2.4590  79.953  2.4551 86.831  3.7898 -6.877441      4.515540 
1 1 1 10 12 26 f 144.191 2.2676 208.165  4.6070  144.080 3.0453 144.302 3.3607 -0.2214508     4.535180 
1 1 1 10 12 28 o 134.232 2.2879 179.355  4.2529  130.820 2.8685 137.645 3.5651 -6.825500      4.575882 
1 1 1 10 12 30 o 125.847 2.3000 157.801  3.9798  123.315 2.8090 128.378 3.6426 -5.062645      4.599904 
1 1 1 10 12 32 o 82.417  2.4715 68.408   2.8341  83.949  3.0947 80.886  3.8542 3.062889       4.942906 
1 1 1 10 12 34 o 127.662 2.2546 162.062  3.7417  125.384 2.3943 129.940 3.8210 -4.556389      4.509161 
1 1 1 10 12 36 o 43.570  5.2056 19.029   3.0483  37.107  7.0989 50.033  7.6157 -12.92536      10.41118 
1 1 1 10 12 38 o 21.266  6.0247 1.1916   2.9707  16.887  7.6954 25.645  9.2720 -8.757822      12.04945 
1 1 1 10 12 40 o 22.644  6.1754 1.7603   3.2411  27.280  9.0584 18.008  8.3957 9.271952       12.35076 
1 1 1 10 12 42 o 25.345  6.8955 5.7202   3.4072  24.685  8.9978 26.004  10.451 -1.319099      13.79105 
1 1 1 10 12 44 o 19.705  6.3611 -2.3358  3.8197  16.706  7.8409 22.703  10.019 -5.996672      12.72213 
1 1 1 10 12 46 o 28.163  7.0159 10.729   3.5563  26.026  10.364 30.301  9.4590 -4.274529      14.03176 
1 1 1 10 12 48 o 28.663  7.9912 15.759   4.8066  31.656  11.872 25.671  10.700 5.984884       15.98232 
1 1 1 10 13 1  o 125.930 1.2481 158.585  2.2223  126.090 1.7857 125.769 1.7443 0.3207550      2.496260 
1 1 1 10 13 3  o 317.176 2.1490 1005.10  9.6288  310.780 2.9908 323.572 3.0867 -12.79266      4.297995 
1 1 1 10 13 5  o 640.135 3.8808 4099.94  35.130  646.365 5.4574 633.904 5.5191 12.46118       7.761641 
1 1 1 10 13 7  o 413.582 2.6112 1711.21  15.270  410.538 3.7407 416.625 3.6444 -6.087494      5.222482 
1 1 1 10 13 9  o 462.809 2.8579 2142.68  18.705  460.927 4.0331 464.692 4.0502 -3.765076      5.715761 
1 1 1 10 13 11 o 671.627 4.0059 4514.17  38.033  670.089 5.5743 673.164 5.7547 -3.074402      8.011808 
1 1 1 10 13 13 o 224.889 1.9803 506.294  6.2053  223.997 3.0671 225.781 2.5059 -1.784042      3.960586 
1 1 1 10 13 15 o 436.746 2.7897 1905.49  17.187  428.050 3.8169 445.443 4.0696 -17.39365      5.579491 
1 1 1 10 13 17 o 455.653 3.0575 2079.36  19.593  457.913 4.0471 453.392 4.5840 4.521301       6.114908 
1 1 1 10 13 19 o 274.519 2.0289 750.511  7.6437  278.956 3.2286 270.083 2.4582 8.872864       4.057877 
1 1 1 10 13 21 f 22.753  5.2987 3.9415   2.2950  27.848  7.2035 17.658  7.7727 10.19042       10.59739 
1 1 1 10 13 23 o 204.266 2.3237 418.985  6.3582  205.947 2.6070 202.585 3.8472 3.361862       4.647326 
1 1 1 10 13 25 o 240.506 2.4373 577.010  8.1249  236.506 3.0513 244.507 3.8015 -8.000305      4.874611 
1 1 1 10 13 27 o 109.589 2.7329 120.547  4.1860  108.594 4.1999 110.583 3.4979 -1.988770      5.465751 
1 1 1 10 13 29 o 115.628 2.1746 133.083  3.4977  112.208 2.7784 119.049 3.3461 -6.840622      4.349249 
1 1 1 10 13 31 o 76.730  3.2863 58.350   3.3362  74.159  3.6589 79.302  5.4600 -5.143509      6.572653 
1 1 1 10 13 33 o 193.933 2.3287 379.130  6.0818  196.741 2.6410 191.125 3.8362 5.616272       4.657422 
1 1 1 10 13 35 o 40.775  5.9426 18.800   3.1682  48.440  5.4824 33.109  10.545 15.33071       11.88522 
1 1 1 10 13 37 o 57.162  4.4137 32.645   3.4453  52.345  5.5146 61.980  6.8929 -9.635403      8.827390 
1 1 1 10 13 39 o 46.686  5.0465 22.238   3.1868  44.334  5.9901 49.038  8.1233 -4.703632      10.09306 
1 1 1 10 13 41 o 22.649  6.1257 4.3840   2.7420  22.202  8.5831 23.097  8.7422 -0.8945541     12.25136 
1 1 1 10 13 43 o 34.488  6.3882 14.289   3.6451  43.403  7.1829 25.573  10.566 17.82994       12.77641 
1 1 1 10 13 45 o 32.286  7.6058 14.407   3.8980  28.433  9.5865 36.139  11.811 -7.706369      15.21163 
1 1 1 10 13 47 o 18.822  6.3034 -2.6990  3.8969  13.800  6.7513 23.844  10.647 -10.04335      12.60686 
1 1 1 10 14 0  o 108.364 1.9193 117.543  4.1567  108.364 1.9193 ?       ?      0.000000       0.000000 
1 1 1 10 14 2  f 235.891 1.7658 556.072  5.8836  244.665 2.4776 227.118 2.5165 17.54610       3.531513 
1 1 1 10 14 4  o 343.861 2.2912 1182.36  11.138  341.050 3.1994 346.672 3.2807 -5.621155      4.582452 
1 1 1 10 14 6  o 703.912 4.2299 4953.68  42.056  689.939 5.8742 717.886 6.0878 -27.94690      8.459720 
1 1 1 10 14 8  o 468.449 2.8193 2194.66  18.664  465.490 3.9068 471.408 4.0659 -5.918304      5.638683 
1 1 1 10 14 10 o 117.872 1.4044 139.028  2.3349  118.632 1.8979 117.113 2.0705 1.519424       2.808724 
1 1 1 10 14 12 o 223.640 1.8396 501.335  5.7985  217.520 2.7337 229.760 2.4625 -12.23915      3.679276 
1 1 1 10 14 14 o 282.353 2.0203 797.359  8.0238  281.909 2.6828 282.797 3.0214 -0.8876038     4.040539 
1 1 1 10 14 16 o 397.382 3.0232 1582.03  16.884  400.179 3.9817 394.584 4.5503 5.594879       6.046443 
1 1 1 10 14 18 f 278.793 2.3891 780.967  9.1213  282.715 2.8385 274.871 3.8436 7.843079       4.778113 
1 1 1 10 14 20 f 250.576 1.9693 629.378  6.6761  249.271 3.2193 251.881 2.2691 -2.609604      3.938633 
1 1 1 10 14 22 o 138.921 2.0722 194.169  3.9374  141.411 2.4496 136.432 3.3430 4.979462       4.144353 
1 1 1 10 14 24 o 135.338 2.0562 183.635  3.6567  135.836 2.2101 134.839 3.4681 0.9977570      4.112420 
1 1 1 10 14 26 o 154.394 2.0278 238.772  4.3117  154.680 2.4634 154.108 3.2218 0.5721436      4.055604 
1 1 1 10 14 28 o 189.053 2.4314 356.660  5.9958  187.391 2.5879 190.716 4.1169 -3.324966      4.862733 
1 1 1 10 14 30 o 102.957 2.5611 105.256  3.2921  101.175 2.5107 104.738 4.4648 -3.562447      5.122292 
1 1 1 10 14 32 o 78.198  3.7010 59.997   3.3952  75.411  3.2920 80.986  6.6297 -5.575462      7.401999 
1 1 1 10 14 34 o 21.401  6.3777 -0.1239  3.4039  22.546  8.7540 20.255  9.2774 2.290932       12.75545 
1 1 1 10 14 36 o 47.304  4.8156 22.487   3.1299  43.277  6.1365 51.330  7.4232 -8.053127      9.631172 
1 1 1 10 14 38 o 27.855  6.9648 7.4667   3.3677  27.565  9.0584 28.145  10.582 -0.5792446     13.92969 
1 1 1 10 14 40 o 23.134  6.8625 2.2264   3.7019  21.736  9.0308 24.531  10.335 -2.794909      13.72493 
1 1 1 10 14 42 o 28.657  7.2958 8.4906   3.6567  22.516  8.9434 34.799  11.529 -12.28344      14.59154 
1 1 1 10 14 44 o 34.755  7.3610 16.912   3.9524  37.191  9.4474 32.320  11.291 4.871059       14.72201 
1 1 1 10 14 46 o 19.815  6.7050 -2.6305  4.7476  17.471  8.2069 22.160  10.606 -4.688450      13.41004 
1 1 1 10 15 1  o 470.346 3.0161 2213.19  20.061  469.857 4.2391 470.836 4.2916 -0.9789429     6.032210 
1 1 1 10 15 3  o 340.233 2.3111 1158.40  11.113  346.554 3.1985 333.912 3.3369 12.64194       4.622283 
1 1 1 10 15 5  o 300.662 2.0778 904.236  8.8327  305.712 2.9082 295.613 2.9685 10.09921       4.155697 
1 1 1 10 15 7  o 118.309 1.3802 139.930  2.3078  119.504 1.9807 117.114 1.9225 2.390404       2.760321 
1 1 1 10 15 9  f 52.271  1.9867 27.677   1.4341  49.232  3.1662 55.309  2.4008 -6.077126      3.973434 
1 1 1 10 15 11 o 96.773  2.2604 92.852   3.0280  100.317 3.5105 93.229  2.8486 7.088211       4.520850 
1 1 1 10 15 13 o 49.003  2.3389 24.407   1.5829  53.069  2.8285 44.937  3.7258 8.131824       4.677778 
1 1 1 10 15 15 o 167.206 2.0120 279.010  4.4020  166.307 2.1523 168.104 3.4000 -1.796494      4.023953 
1 1 1 10 15 17 o 302.089 2.3206 913.333  9.8768  301.858 3.4426 302.320 3.1127 -0.4620667     4.641186 
1 1 1 10 15 19 o 51.838  1.8952 26.744   1.3639  50.617  2.3952 53.059  2.9378 -2.442375      3.790459 
1 1 1 10 15 21 o 118.541 1.6369 140.021  2.7177  121.529 2.4703 115.552 2.1484 5.976913       3.273780 
1 1 1 10 15 23 o 101.513 2.1576 101.326  2.9697  96.190  2.5808 106.836 3.4585 -10.64574      4.315262 
1 1 1 10 15 25 o 206.858 2.3494 428.556  6.4284  206.871 2.5675 206.846 3.9354 0.2474976E-01  4.698879 
1 1 1 10 15 27 o 162.930 2.1077 265.342  4.7292  161.691 2.5708 164.169 3.3408 -2.478622      4.215435 
1 1 1 10 15 29 o 58.386  3.7456 32.442   2.8770  50.842  4.4285 65.931  6.0420 -15.08852      7.491177 
1 1 1 10 15 31 o 29.006  6.3912 8.3545   3.0280  32.368  8.1930 25.643  9.8114 6.725357       12.78237 
1 1 1 10 15 33 o 105.898 2.8963 112.536  4.0295  105.237 3.1270 106.559 4.8761 -1.321892      5.792622 
1 1 1 10 15 35 o 92.939  3.0014 87.575   3.3973  93.711  2.7723 92.167  5.3243 1.543457       6.002801 
1 1 1 10 15 37 o 26.261  6.5047 5.6933   3.2685  30.200  8.7007 22.323  9.6718 7.877184       13.00943 
1 1 1 10 15 39 f 22.042  6.5866 1.4083   3.4450  19.033  8.3217 25.050  10.212 -6.017237      13.17324 
1 1 1 10 15 41 o 44.564  5.9262 22.148   3.6385  39.120  8.7765 50.009  7.9657 -10.88869      11.85239 
1 1 1 10 15 43 o 18.422  6.0575 -4.0581  3.8786  19.009  8.5499 17.835  8.5834 1.173956       12.11510 
1 1 1 10 15 45 o 19.712  6.2411 0.3207   3.7633  21.124  8.8729 18.300  8.7793 2.824072       12.48216 
1 1 1 10 15 47 f 25.098  8.1601 9.5020   5.9190  28.400  13.018 21.796  9.8435 6.603392       16.32029 
1 1 1 10 16 0  o 15.860  8.2360 3.6949   3.3485  15.860  8.2360 ?       ?      0.000000       0.000000 
1 1 1 10 16 2  o 227.610 1.9460 518.144  6.2628  226.647 2.7255 228.573 2.7784 -1.926071      3.892019 
1 1 1 10 16 4  o 274.086 2.1745 751.353  8.4273  277.591 3.0780 270.580 3.0725 7.011536       4.349060 
1 1 1 10 16 6  o 466.416 3.1470 2171.58  20.561  473.699 4.7653 459.133 4.1118 14.56650       6.294039 
1 1 1 10 16 8  o 288.409 2.2523 828.824  9.0977  295.364 3.4010 281.453 2.9538 13.91040       4.504631 
1 1 1 10 16 10 o 593.190 4.2193 3524.54  35.384  594.584 5.8744 591.796 6.0581 2.788513       8.438547 
1 1 1 10 16 12 o 330.058 2.4595 1092.30  11.382  334.750 3.1906 325.366 3.7439 9.384491       4.919033 
1 1 1 10 16 14 o 106.379 1.4774 113.176  2.2223  105.050 2.0884 107.708 2.0904 -2.658501      2.954858 
1 1 1 10 16 16 o 438.824 2.8978 1927.95  17.982  435.283 4.0983 442.366 4.0980 -7.082367      5.795636 
1 1 1 10 16 18 o 186.158 1.6116 346.308  4.2384  180.471 2.2713 191.846 2.2871 -11.37590      3.223257 
1 1 1 10 16 20 o 187.363 1.7188 352.374  4.5171  191.561 2.2302 183.165 2.6161 8.396317       3.437696 
1 1 1 10 16 22 o 338.896 2.4952 1150.85  11.946  342.083 3.4260 335.708 3.6286 6.375000       4.990386 
1 1 1 10 16 24 o 164.333 2.1700 272.016  4.8683  167.596 2.5491 161.070 3.5126 6.526245       4.340082 
1 1 1 10 16 26 f 20.749  5.8398 2.2068   2.5143  18.438  7.5215 23.059  8.9355 -4.621655      11.67966 
1 1 1 10 16 28 o 105.061 3.0286 110.279  4.4669  100.874 4.0635 109.248 4.4919 -8.373703      6.057118 
1 1 1 10 16 30 f 49.596  4.7766 24.617   3.1868  48.090  5.5223 51.101  7.7954 -3.010971      9.553189 
1 1 1 10 16 32 o 131.727 2.5344 174.690  4.5167  132.472 2.9199 130.982 4.1432 1.489914       5.068723 
1 1 1 10 16 34 o 113.926 2.7148 131.242  4.0967  114.896 2.9646 112.956 4.5488 1.939430       5.429600 
1 1 1 10 16 36 o 28.689  7.3308 7.5573   3.6306  26.863  9.1485 30.514  11.457 -3.651220      14.66165 
1 1 1 10 16 38 o 19.675  5.8571 1.1498   2.7519  18.329  7.8267 21.020  8.7158 -2.690737      11.71424 
1 1 1 10 16 40 o 22.648  6.7459 2.1483   3.5864  22.241  8.7901 23.056  10.235 -0.8147774     13.49172 
1 1 1 10 16 42 o 17.779  6.0026 -7.2534  4.0765  15.903  7.6534 19.656  9.2494 -3.752864      12.00524 
1 1 1 10 16 44 o 19.967  6.5921 -1.6984  4.5250  18.874  8.8362 21.060  9.7849 -2.185427      13.18423 
1 1 1 10 16 46 o 20.296  6.5400 2.0722   4.2993  17.720  8.5144 22.872  9.9294 -5.152239      13.08007 
1 1 1 10 17 1  o 163.670 1.5597 267.850  3.6025  163.019 2.1249 164.322 2.2837 -1.302628      3.119342 
1 1 1 10 17 3  o 90.214  1.6308 81.460   2.0784  87.814  2.3668 92.614  2.2441 -4.799614      3.261548 
1 1 1 10 17 5  o 385.800 2.5606 1488.63  13.963  381.884 3.5678 389.715 3.6739 -7.830933      5.121173 
1 1 1 10 17 7  o 363.237 2.6221 1322.21  13.371  359.210 3.9698 367.264 3.4269 -8.054474      5.244294 
1 1 1 10 17 9  o 232.846 1.8497 542.252  6.0895  236.750 2.6092 228.942 2.6226 7.807922       3.699454 
1 1 1 10 17 11 o 411.930 2.6519 1697.50  15.420  414.419 3.8728 409.442 3.6238 4.977051       5.303790 
1 1 1 10 17 13 o 228.300 1.7545 521.842  5.6578  234.736 2.4103 221.864 2.5501 12.87155       3.508905 
1 1 1 10 17 15 o 307.440 2.1445 945.883  9.3230  307.494 3.0603 307.385 3.0051 0.1084595      4.289079 
1 1 1 10 17 17 o 257.420 1.9276 663.227  7.0115  258.500 2.6577 256.340 2.7927 2.160187       3.855193 
1 1 1 10 17 19 o 148.424 1.4857 219.456  3.0908  144.289 1.9606 152.558 2.2327 -8.269211      2.971341 
1 1 1 10 17 21 o 79.993  1.6949 62.451   1.7932  75.353  1.9154 84.633  2.7968 -9.280334      3.389823 
1 1 1 10 17 23 o 143.204 1.6270 204.678  3.2654  145.653 2.4575 140.754 2.1328 4.898575       3.253965 
1 1 1 10 17 25 o 116.531 2.2694 137.408  3.5052  119.444 2.4650 113.617 3.8110 5.827164       4.538724 
1 1 1 10 17 27 o 105.498 2.5604 110.529  3.3692  103.709 2.5050 107.287 4.4663 -3.578552      5.120855 
1 1 1 10 17 29 o 118.938 2.1623 142.178  3.5692  120.304 2.6874 117.571 3.3882 2.733421       4.324556 
1 1 1 10 17 31 o 40.273  6.2197 18.139   3.3189  47.023  5.7703 33.522  11.020 13.50104       12.43936 
1 1 1 10 17 33 o 68.940  3.6969 47.936   3.4039  67.974  4.1617 69.907  6.1113 -1.932999      7.393748 
1 1 1 10 17 35 o 50.520  5.0999 25.346   3.4748  44.904  6.2999 56.137  8.0217 -11.23280      10.19983 
1 1 1 10 17 37 o 28.374  7.0749 7.9634   3.4185  28.408  8.7191 28.339  11.144 0.6961441E-01  14.14990 
1 1 1 10 17 39 o 33.467  7.1349 12.212   3.5785  26.258  9.1340 40.676  10.963 -14.41733      14.26970 
1 1 1 10 17 41 o 20.781  6.6068 -1.6907  3.9225  16.118  7.6589 25.444  10.768 -9.326357      13.21355 
1 1 1 10 17 43 o 20.198  6.3602 -3.5555  3.7838  12.844  6.3907 27.553  10.998 -14.70902      12.72031 
1 1 1 10 17 45 o 20.178  6.7266 0.4801   4.8981  21.611  10.093 18.744  8.8949 2.867619       13.45318 
1 1 1 10 18 0  o 672.723 5.7852 4530.14  77.823  672.723 5.7852 ?       ?      0.000000       0.000000 
1 1 1 10 18 2  o 329.248 2.2755 1084.42  10.592  335.909 3.1968 322.587 3.2393 13.32187       4.551081 
1 1 1 10 18 4  f 311.364 2.1626 968.127  9.5034  319.534 3.1257 303.194 2.9895 16.33981       4.325166 
1 1 1 10 18 6  o 48.751  2.7295 23.786   1.8652  48.754  3.5524 48.749  4.1450 0.5847931E-02  5.459019 
1 1 1 10 18 8  o 229.397 1.8352 526.909  5.9442  233.136 2.5011 225.658 2.6863 7.478104       3.670400 
1 1 1 10 18 10 f 338.960 2.2883 1149.74  10.969  338.969 3.2190 338.950 3.2532 0.1953125E-01  4.576628 
1 1 1 10 18 12 o 115.073 1.4887 131.881  2.4124  109.933 2.0481 120.213 2.1611 -10.27937      2.977461 
1 1 1 10 18 14 f 208.929 1.7193 436.520  5.0778  212.505 2.4451 205.353 2.4178 7.152023       3.438609 
1 1 1 10 18 16 o 219.168 1.8071 480.737  5.6000  221.684 2.5261 216.653 2.5848 5.031235       3.614211 
1 1 1 10 18 18 o 322.041 2.1677 1038.35  9.8719  319.937 3.0676 324.146 3.0634 -4.208221      4.335311 
1 1 1 10 18 20 o 263.258 2.2016 692.690  8.0833  260.654 2.8129 265.862 3.3876 -5.208069      4.403194 
1 1 1 10 18 22 o 128.928 1.5383 165.432  2.6737  126.975 1.7732 130.881 2.5143 -3.906235      3.076694 
1 1 1 10 18 24 o 115.665 2.3649 132.876  3.5415  113.602 2.4902 117.728 4.0212 -4.125984      4.729761 
1 1 1 10 18 26 o 95.375  2.8113 90.105   3.5785  92.189  3.1938 98.562  4.6274 -6.372696      5.622569 
1 1 1 10 18 28 o 194.027 2.3921 378.682  6.2196  195.535 2.6868 192.519 3.9584 3.016174       4.784112 
1 1 1 10 18 30 f 18.899  6.0769 -2.9283  3.1709  15.810  7.1861 21.988  9.8019 -6.178720      12.15390 
1 1 1 10 18 32 o 143.670 2.5352 209.359  4.9313  146.994 2.9064 140.345 4.1547 6.649460       5.070386 
1 1 1 10 18 34 o 22.606  6.2321 1.7530   3.1711  17.217  7.8715 27.994  9.6642 -10.77666      12.46424 
1 1 1 10 18 36 o 22.340  6.7622 0.9828   3.4800  18.229  7.9825 26.451  10.917 -8.221226      13.52432 
1 1 1 10 18 38 o 31.413  6.5565 8.8811   3.7019  18.858  8.4100 43.969  10.061 -25.11032      13.11299 
1 1 1 10 18 40 o 23.307  6.7863 2.9063   3.7587  24.805  9.0828 21.808  10.085 2.996433       13.57258 
1 1 1 10 18 42 o 27.514  6.6669 9.5224   3.4232  32.616  9.3982 22.411  9.4587 10.20534       13.33389 
1 1 1 10 18 44 o 25.677  6.9857 7.5067   4.2922  32.042  10.564 19.312  9.1435 12.72950       13.97134 
1 1 1 10 19 1  o 117.766 1.5424 138.464  2.5610  120.216 2.2571 115.317 2.1027 4.898552       3.084784 
1 1 1 10 19 3  o 295.326 2.1286 871.548  8.8724  290.250 2.9239 300.401 3.0942 -10.15048      4.257123 
1 1 1 10 19 5  o 480.589 3.3110 2310.90  22.242  478.272 4.2611 482.906 5.0690 -4.633667      6.622040 
1 1 1 10 19 7  o 405.577 2.6578 1645.34  15.215  409.582 3.8762 401.572 3.6373 8.009521       5.315541 
1 1 1 10 19 9  o 322.477 2.2470 1040.64  10.247  325.464 3.1752 319.489 3.1804 5.975342       4.494044 
1 1 1 10 19 11 o 205.995 1.7840 424.551  5.1933  205.857 2.4679 206.132 2.5767 -0.2753906     3.567918 
1 1 1 10 19 13 o 130.991 1.4976 171.802  2.7699  132.931 2.0412 129.051 2.1921 3.880753       2.995286 
1 1 1 10 19 15 o 102.289 1.6779 104.684  2.4234  97.860  2.4188 106.718 2.3262 -8.857750      3.355867 
1 1 1 10 19 17 o 190.372 1.6728 362.585  4.5002  189.465 2.3158 191.278 2.4146 -1.812729      3.345631 
1 1 1 10 19 19 o 195.137 1.7060 381.270  4.7036  196.826 2.3465 193.447 2.4770 3.379074       3.412033 
1 1 1 10 19 21 o 202.838 1.7129 413.470  4.8495  207.449 2.1707 198.227 2.6503 9.222763       3.425810 
1 1 1 10 19 23 o 224.891 1.8289 507.669  5.7155  227.551 2.2834 222.230 2.8576 5.320496       3.657879 
1 1 1 10 19 25 o 45.880  5.7256 22.239   3.1709  48.125  5.1584 43.635  10.224 4.490044       11.45118 
1 1 1 10 19 27 o 92.981  2.7942 86.908   3.3969  93.253  2.9716 92.708  4.7328 0.5457764      5.588370 
1 1 1 10 19 29 o 31.822  7.1353 9.8064   3.1417  29.680  7.5627 33.964  12.102 -4.283850      14.27069 
1 1 1 10 19 31 o 49.492  5.2244 24.670   3.5458  45.679  6.5721 53.304  8.1230 -7.625149      10.44875 
1 1 1 10 19 33 o 65.634  3.8260 41.635   3.2293  59.011  4.2068 72.258  6.3918 -13.24688      7.651997 
1 1 1 10 19 35 o 20.162  6.3687 -1.9558  3.5697  19.256  8.2866 21.069  9.6734 -1.812271      12.73746 
1 1 1 10 19 37 o 60.101  4.5165 37.482   3.4174  59.026  4.4992 61.176  7.8327 -2.150112      9.032936 
1 1 1 10 19 39 o 36.192  7.5235 15.340   4.0467  27.093  9.6333 45.292  11.559 -18.19835      15.04709 
1 1 1 10 19 41 o 21.781  6.7596 2.9380   3.8230  19.667  8.6170 23.895  10.417 -4.227718      13.51929 
1 1 1 10 19 43 o 29.463  7.5219 12.309   3.9581  22.711  9.2296 36.215  11.880 -13.50356      15.04389 
1 1 1 10 20 0  o 675.703 5.6656 4572.05  76.553  675.703 5.6656 ?       ?      0.000000       0.000000 
1 1 1 10 20 2  f 362.127 2.7032 1312.97  13.624  361.824 4.1964 362.430 3.4089 -0.6054382     5.406483 
1 1 1 10 20 4  o 202.384 1.7369 409.859  4.9542  202.788 2.3345 201.980 2.5725 0.8073578      3.473826 
1 1 1 10 20 6  o 382.157 2.5748 1461.12  13.894  385.662 3.7424 378.653 3.5373 7.009308       5.149545 
1 1 1 10 20 8  o 154.087 1.5675 237.973  3.4062  160.757 2.1189 147.418 2.3106 13.33833       3.135012 
1 1 1 10 20 10 o 193.919 1.6739 376.236  4.5881  193.992 2.4106 193.847 2.3230 0.1450653      3.347739 
1 1 1 10 20 12 o 173.479 1.5763 300.529  3.8603  180.330 2.2410 166.628 2.2174 13.70204       3.152657 
1 1 1 10 20 14 o 96.007  1.7249 92.329   2.3349  97.033  2.3204 94.982  2.5528 2.050034       3.449835 
1 1 1 10 20 16 o 79.752  1.9520 63.843   2.1923  82.288  2.5959 77.217  2.9159 5.071716       3.903973 
1 1 1 10 20 18 f 262.659 1.9741 690.762  7.3315  263.936 2.7561 261.381 2.8272 2.554504       3.948280 
1 1 1 10 20 20 o 216.519 1.8472 473.022  5.4920  222.856 2.2020 210.183 2.9665 12.67279       3.694440 
1 1 1 10 20 22 o 103.947 1.7557 108.901  2.4930  106.271 2.0644 101.624 2.8405 4.646873       3.511417 
1 1 1 10 20 24 o 201.841 1.7708 407.997  4.9564  201.638 2.2046 202.044 2.7717 -0.4062805     3.541567 
1 1 1 10 20 26 o 35.326  6.2311 13.233   2.9534  36.584  6.7214 34.067  10.494 2.516487       12.46210 
1 1 1 10 20 28 o 18.558  5.7806 -2.8652  3.0756  19.641  8.0048 17.474  8.3417 2.167246       11.56118 
1 1 1 10 20 30 o 82.139  3.5021 67.998   3.8610  81.051  3.9888 83.227  5.7575 -2.175591      7.004244 
1 1 1 10 20 32 o 21.146  6.1953 -2.2227  3.2280  13.322  6.4673 28.970  10.569 -15.64780      12.39069 
1 1 1 10 20 34 o 45.679  6.3456 23.679   3.4111  50.407  5.1539 40.951  11.598 9.456192       12.69130 
1 1 1 10 20 36 o 22.423  6.8442 1.2154   3.7171  19.009  8.3554 25.838  10.843 -6.829165      13.68844 
1 1 1 10 20 38 o 15.953  5.4548 -8.8982  3.5040  13.180  6.4909 18.726  8.7684 -5.546642      10.90950 
1 1 1 10 20 40 o 20.806  6.5574 1.1761   3.9225  21.076  8.9925 20.535  9.5463 0.5417042      13.11476 
1 1 1 10 20 42 o 19.594  6.3865 -1.0127  4.2223  20.699  9.1867 18.489  8.8744 2.210249       12.77301 
1 1 1 10 21 1  o 228.650 1.7854 522.984  5.7709  230.048 2.5598 227.251 2.4897 2.797653       3.570822 
1 1 1 10 21 3  f 169.361 1.6198 287.294  3.8543  170.883 2.1284 167.840 2.4422 3.043045       3.239536 
1 1 1 10 21 5  o 296.646 2.1060 880.863  8.8327  299.216 2.9328 294.075 3.0233 5.141022       4.212062 
1 1 1 10 21 7  o 78.598  2.0294 61.756   2.2382  79.217  3.0609 77.978  2.6653 1.238632       4.058701 
1 1 1 10 21 9  o 133.694 1.5267 178.770  2.8855  131.040 2.1588 136.348 2.1594 -5.308411      3.053450 
1 1 1 10 21 11 o 333.225 2.3400 1111.87  11.026  337.343 3.3030 329.106 3.3155 8.236816       4.679946 
1 1 1 10 21 13 o 128.009 1.5482 163.557  2.7926  136.303 2.1601 119.714 2.2184 16.58868       3.096341 
1 1 1 10 21 15 o 100.936 1.7607 101.999  2.5110  104.023 2.4420 97.848  2.5371 6.175133       3.521376 
1 1 1 10 21 17 o 124.049 1.7450 153.995  3.0555  123.681 2.3806 124.417 2.5521 -0.7357178     3.490067 
1 1 1 10 21 19 o 157.973 1.8373 248.934  4.0591  154.630 2.3895 161.316 2.7915 -6.685516      3.674518 
1 1 1 10 21 21 o 132.279 1.7871 177.521  3.1880  137.372 2.0173 127.186 2.9505 10.18559       3.574172 
1 1 1 10 21 23 o 118.917 1.6165 143.266  2.5942  123.021 1.8302 114.813 2.6650 8.208603       3.232985 
1 1 1 10 21 25 o 61.808  2.0667 38.900   1.6377  63.802  2.0812 59.813  3.5713 3.989452       4.133461 
1 1 1 10 21 27 o 20.052  6.2488 -1.3856  3.3254  18.878  8.1214 21.227  9.4992 -2.349106      12.49767 
1 1 1 10 21 29 o 62.614  4.4945 39.475   3.7085  60.549  4.9581 64.678  7.4979 -4.129112      8.988969 
1 1 1 10 21 31 f 18.172  5.9179 -6.2386  3.6451  19.176  8.4314 17.167  8.3065 2.008812       11.83581 
1 1 1 10 21 33 o 54.707  4.8939 31.531   3.5458  56.885  5.2774 52.528  8.2431 4.357174       9.787714 
1 1 1 10 21 35 o 22.107  6.8458 0.7313   3.6815  18.667  8.1607 25.548  10.994 -6.881283      13.69160 
1 1 1 10 21 37 o 64.885  3.7533 44.669   3.2489  67.169  4.1256 62.601  6.2712 4.568306       7.506548 
1 1 1 10 21 39 o 27.979  7.3641 10.269   3.8570  24.246  9.5592 31.711  11.204 -7.465311      14.72811 
1 1 1 10 21 41 f 27.085  7.4252 8.7692   4.1329  18.590  8.4413 35.580  12.218 -16.99016      14.85036 
1 1 1 10 22 0  o 288.356 3.3646 832.384  19.398  288.356 3.3646 ?       ?      0.000000       0.000000 
1 1 1 10 22 2  o 193.857 2.0279 372.079  5.3065  187.967 2.3650 199.747 3.2949 -11.78006      4.055805 
1 1 1 10 22 4  f 113.391 1.7514 129.845  2.7519  108.471 2.7676 118.312 2.1471 -9.840797      3.502809 
1 1 1 10 22 6  o 89.363  1.9280 80.233   2.4234  85.647  2.8985 93.080  2.5430 -7.433617      3.855938 
1 1 1 10 22 8  o 163.753 1.6577 268.096  3.8338  166.199 2.3968 161.307 2.2906 4.891998       3.315356 
1 1 1 10 22 10 o 119.487 1.6928 142.949  2.8551  118.639 2.4818 120.335 2.3029 -1.696594      3.385613 
1 1 1 10 22 12 o 54.308  3.1270 30.470   2.2963  48.077  5.1635 60.538  3.5285 -12.46026      6.253994 
1 1 1 10 22 14 o 105.978 1.8066 113.020  2.6693  109.118 2.2751 102.838 2.8070 6.280128       3.613160 
1 1 1 10 22 16 f 113.105 1.7334 127.853  2.7663  118.868 2.4284 107.342 2.4740 11.52565       3.466717 
1 1 1 10 22 18 o 134.222 1.5818 180.356  3.0021  135.555 2.2146 132.889 2.2591 2.666763       3.163570 
1 1 1 10 22 20 o 96.226  1.8591 91.133   2.3916  91.943  2.1349 100.509 3.0443 -8.565300      3.718299 
1 1 1 10 22 22 o 113.149 1.6348 128.234  2.4754  113.207 1.8359 113.092 2.7056 0.1146851      3.269673 
1 1 1 10 22 24 o 75.523  2.1309 58.317   2.1194  79.116  2.2621 71.930  3.6118 7.185722       4.261713 
1 1 1 10 22 26 o 39.842  2.8682 16.037   1.4540  40.131  2.8772 39.554  4.9626 0.5772324      5.736353 
1 1 1 10 22 28 o 78.265  3.1191 60.980   3.2144  75.562  3.4382 80.967  5.2051 -5.405106      6.238157 
1 1 1 10 22 30 o 75.891  4.0596 59.681   3.9943  78.825  4.1748 72.957  6.9636 5.868149       8.119166 
1 1 1 10 22 32 o 43.132  6.5639 20.507   3.6641  44.836  6.5669 41.428  11.367 3.408401       13.12784 
1 1 1 10 22 34 o 30.190  7.4259 9.8701   3.6914  27.555  9.2378 32.825  11.629 -5.269670      14.85180 
1 1 1 10 22 36 o 25.974  7.0594 6.8279   3.6003  25.535  9.4236 26.414  10.514 -0.8789215     14.11880 
1 1 1 10 22 38 f 32.705  6.8713 14.699   3.8457  39.374  7.7542 26.037  11.346 13.33638       13.74265 
1 1 1 10 22 40 o 29.161  7.5546 12.969   4.1193  30.630  9.9207 27.692  11.396 2.938622       15.10921 
1 1 1 10 22 42 o 21.449  7.0836 2.5365   4.9344  19.647  8.9410 23.251  10.990 -3.603697      14.16728 
1 1 1 10 23 1  o 190.317 1.8022 362.475  4.8468  190.602 2.6049 190.033 2.4912 0.5690002      3.604365 
1 1 1 10 23 3  o 235.808 2.1773 558.064  7.0763  233.570 3.4604 238.046 2.6435 -4.476059      4.354628 
1 1 1 10 23 5  o 43.513  3.3485 18.928   2.0393  38.680  4.9255 48.347  4.5377 -9.667042      6.697068 
1 1 1 10 23 7  o 89.099  1.9011 79.395   2.3928  87.515  2.6387 90.683  2.7376 -3.167999      3.802255 
1 1 1 10 23 9  o 117.605 1.6140 138.327  2.6818  119.124 2.3263 116.087 2.2379 3.037613       3.227988 
1 1 1 10 23 11 o 231.088 1.9000 534.597  6.1996  231.105 2.7729 231.072 2.5984 0.3353882E-01  3.800075 
1 1 1 10 23 13 o 166.100 1.7202 275.964  4.0380  162.490 2.4160 169.710 2.4493 -7.219803      3.440390 
1 1 1 10 23 15 o 161.686 1.6304 261.907  3.7235  158.061 2.3742 165.311 2.2351 -7.250900      3.260714 
1 1 1 10 23 17 o 98.242  1.9531 96.678   2.7122  98.797  2.8049 97.688  2.7185 1.108612       3.906140 
1 1 1 10 23 19 o 120.216 1.7469 145.415  2.8329  121.787 1.9910 118.646 2.8709 3.141151       3.493723 
1 1 1 10 23 21 o 66.177  2.2256 42.825   1.9757  61.856  2.6133 70.499  3.6032 -8.643093      4.451137 
1 1 1 10 23 23 o 69.391  2.3249 47.851   2.2362  66.393  2.9565 72.389  3.5889 -5.996132      4.649827 
1 1 1 10 23 25 o 40.986  3.4766 16.149   1.8557  36.617  3.9416 45.355  5.7280 -8.738132      6.953177 
1 1 1 10 23 27 o 13.489  4.1958 -0.4466  1.4074  11.916  5.1175 15.061  6.6505 -3.145196      8.391535 
1 1 1 10 23 29 o 36.486  6.0769 14.378   3.0560  35.211  8.0431 37.761  9.1117 -2.549728      12.15382 
1 1 1 10 23 31 o 34.233  7.6925 12.501   4.5303  26.872  10.805 41.594  10.952 -14.72208      15.38500 
1 1 1 10 23 33 o 55.587  5.2163 33.399   3.8630  57.605  5.7126 53.569  8.7295 4.035583       10.43253 
1 1 1 10 23 35 o 30.030  7.6719 10.451   3.9943  27.372  9.6433 32.688  11.935 -5.315605      15.34374 
1 1 1 10 23 37 o 32.067  6.7614 14.009   3.5606  37.384  8.1041 26.750  10.825 10.63423       13.52283 
1 1 1 10 23 39 o 42.552  6.7684 24.709   4.0008  34.819  9.9474 50.286  9.1811 -15.46706      13.53675 
1 1 1 10 23 41 o 19.261  6.4490 -0.6601  4.3136  17.408  8.1209 21.115  10.021 -3.707296      12.89808 
1 1 1 10 24 0  o 279.099 3.1658 779.848  17.666  279.099 3.1658 ?       ?      0.000000       0.000000 
1 1 1 10 24 2  o 216.715 1.8554 470.049  5.6853  214.854 2.6064 218.576 2.6413 -3.722778      3.710788 
1 1 1 10 24 4  f 156.322 2.0401 244.818  4.5024  162.691 2.8034 149.954 2.9645 12.73647       4.080099 
1 1 1 10 24 6  o 128.752 1.6646 165.893  3.0307  129.961 2.3544 127.542 2.3538 2.419312       3.329199 
1 1 1 10 24 8  o 201.409 1.7744 406.192  5.0501  202.903 2.4470 199.915 2.5702 2.988037       3.548726 
1 1 1 10 24 10 o 203.113 1.8693 412.996  5.3666  204.003 2.6885 202.223 2.5979 1.779678       3.738616 
1 1 1 10 24 12 o 156.296 1.7893 244.570  3.9545  154.469 2.5415 158.123 2.5193 -3.654083      3.578521 
1 1 1 10 24 14 o 210.956 1.8385 445.674  5.4821  211.811 2.6439 210.101 2.5555 1.709778       3.677038 
1 1 1 10 24 16 o 163.610 1.7238 268.184  3.9760  164.150 2.3212 163.069 2.5491 1.081131       3.447591 
1 1 1 10 24 18 o 86.213  2.3389 76.438   2.6739  91.977  2.5107 80.448  3.9470 11.52980       4.677882 
1 1 1 10 24 20 o 72.307  2.7709 52.143   2.5208  71.438  2.7477 73.176  4.8126 -1.737411      5.541760 
1 1 1 10 24 22 o 65.195  2.7873 42.129   2.4090  62.897  3.1208 67.493  4.6191 -4.595848      5.574512 
1 1 1 10 24 24 o 45.840  3.4580 20.751   2.1790  41.537  4.4476 50.142  5.2963 -8.604843      6.916086 
1 1 1 10 24 26 o 61.753  2.7210 38.738   2.1193  62.601  2.6744 60.905  4.7396 1.696533       5.442062 
1 1 1 10 24 28 o 32.294  3.3818 9.8864   1.4074  24.151  4.7099 40.437  4.8543 -16.28524      6.763633 
1 1 1 10 24 30 o 86.886  3.3211 75.669   3.8980  81.925  3.9463 91.847  5.3429 -9.921959      6.642242 
1 1 1 10 24 32 o 58.406  5.0495 36.514   3.5514  59.881  4.5313 56.931  9.0253 2.950272       10.09893 
1 1 1 10 24 34 o 18.425  6.1352 -5.3949  3.9798  16.816  7.9127 20.035  9.3782 -3.218567      12.27036 
1 1 1 10 24 36 o 19.598  6.3021 -0.3177  3.8129  19.171  8.6543 20.026  9.1634 -0.8543606     12.60419 
1 1 1 10 24 38 o 30.933  7.5750 14.857   4.3318  34.842  9.8408 27.023  11.519 7.818628       15.14990 
1 1 1 10 24 40 o 47.178  6.7345 32.858   4.1800  57.583  6.2160 36.773  11.949 20.80978       13.46899 
1 1 1 10 25 1  o 90.189  2.0142 81.444   2.5688  90.987  2.8553 89.390  2.8417 1.597473       4.028416 
1 1 1 10 25 3  o 40.850  4.1024 16.751   2.3614  38.176  5.8978 43.523  5.7039 -5.346798      8.204769 
1 1 1 10 25 5  o 75.533  2.2953 56.745   2.4261  72.262  3.0360 78.804  3.4433 -6.542366      4.590534 
1 1 1 10 25 7  o 113.119 2.0660 127.060  3.2087  109.728 2.5255 116.511 3.2704 -6.782661      4.131994 
1 1 1 10 25 9  o 111.286 2.0381 124.134  3.2018  112.406 2.7735 110.165 2.9871 2.240860       4.076124 
1 1 1 10 25 11 o 76.534  2.2408 58.442   2.4028  74.289  2.9531 78.779  3.3711 -4.489838      4.481613 
1 1 1 10 25 13 f 67.066  2.5264 45.541   2.3656  62.068  3.9066 72.064  3.2045 -9.996403      5.052753 
1 1 1 10 25 15 o 223.906 1.9728 502.860  6.2217  225.657 2.6352 222.156 2.9366 3.501740       3.945565 
1 1 1 10 25 17 o 113.078 1.9719 128.357  3.1461  116.757 2.6701 109.400 2.9024 7.356461       3.943818 
1 1 1 10 25 19 o 111.781 2.0104 125.674  3.1017  113.085 2.4505 110.477 3.1877 2.608536       4.020741 
1 1 1 10 25 21 o 98.131  2.0408 97.127   2.7640  100.085 2.4804 96.177  3.2415 3.907799       4.081598 
1 1 1 10 25 23 o 99.475  2.2180 100.036  2.8855  100.754 2.3493 98.196  3.7628 2.557671       4.435946 
1 1 1 10 25 25 o 70.324  2.5501 50.268   2.3310  71.679  2.6579 68.969  4.3528 2.709969       5.100153 
1 1 1 10 25 27 o 51.493  2.9182 26.390   1.9180  49.880  3.0093 53.105  5.0008 -3.224846      5.836433 
1 1 1 10 25 29 o 13.751  4.2807 -0.8439  1.4989  10.391  4.8307 17.110  7.0683 -6.719354      8.561347 
1 1 1 10 25 31 o 45.064  6.6316 21.895   3.8673  36.314  8.5565 53.814  10.134 -17.50050      13.26329 
1 1 1 10 25 33 o 34.663  7.4868 14.947   3.8515  34.779  8.7891 34.547  12.123 0.2319946      14.97353 
1 1 1 10 25 35 o 34.624  6.8252 16.680   3.7594  41.324  7.8284 27.924  11.182 13.39995       13.65031 
1 1 1 10 25 37 o 23.003  6.8695 5.3674   3.9224  25.954  10.355 20.051  9.0294 5.902960       13.73909 
1 1 1 10 26 0  o 251.166 2.7820 631.591  13.971  251.166 2.7820 ?       ?      0.000000       0.000000 
1 1 1 10 26 2  o 116.367 1.8421 135.626  3.0307  115.794 2.6425 116.939 2.5672 -1.144333      3.684185 
1 1 1 10 26 4  o 38.560  4.7191 16.023   2.3872  31.405  8.0511 45.714  4.9253 -14.30853      9.438179 
1 1 1 10 26 6  o 78.235  2.2972 61.384   2.5389  78.645  3.1566 77.824  3.3382 0.8210754      4.594307 
1 1 1 10 26 8  o 177.483 1.8989 315.741  4.7613  179.327 2.6077 175.639 2.7611 3.687683       3.797840 
1 1 1 10 26 10 o 165.277 1.8153 273.573  4.2416  167.279 2.5884 163.275 2.5458 4.004578       3.630612 
1 1 1 10 26 12 f 77.289  2.2135 60.348   2.3928  72.836  3.4083 81.741  2.8251 -8.904411      4.426955 
1 1 1 10 26 14 o 46.160  3.7179 21.435   2.4124  46.760  5.5559 45.560  4.9420 1.199787       7.435818 
1 1 1 10 26 16 o 50.045  3.2009 25.296   2.2382  50.937  4.0802 49.153  4.9330 1.784084       6.401813 
1 1 1 10 26 18 o 109.003 2.0803 116.968  2.9979  104.171 2.3277 113.835 3.4487 -9.664146      4.160691 
1 1 1 10 26 20 o 99.726  2.2814 98.116   3.0666  94.600  2.6852 104.853 3.6890 -10.25301      4.562848 
1 1 1 10 26 22 o 32.155  5.7490 10.734   2.4286  29.608  6.6045 34.703  9.4120 -5.094761      11.49803 
1 1 1 10 26 24 o 88.092  2.2448 78.849   2.6909  90.984  2.6016 85.200  3.6591 5.783585       4.489660 
1 1 1 10 26 26 o 72.141  2.4610 51.143   2.3916  66.779  2.9394 77.503  3.9480 -10.72468      4.922061 
1 1 1 10 26 28 o 31.147  4.7651 11.768   1.9952  39.722  3.9242 22.573  8.6848 17.14907       9.530246 
1 1 1 10 26 30 o 22.533  5.7023 4.5746   1.7595  19.890  5.5800 25.175  9.9464 -5.284737      11.40466 
1 1 1 10 26 32 o 31.705  7.7659 12.455   4.4334  35.662  10.851 27.749  11.113 7.913227       15.53188 
1 1 1 10 26 34 o 21.127  6.6781 1.3631   4.0765  21.049  9.1446 21.204  9.7345 -0.1550121     13.35611 
1 1 1 10 26 36 o 24.254  7.3577 6.7206   4.4291  21.380  9.4275 27.127  11.299 -5.747248      14.71533 
1 1 1 10 27 1  o 184.392 1.8155 340.599  4.7333  184.857 2.5921 183.926 2.5425 0.9311676      3.630910 
1 1 1 10 27 3  o 129.149 1.8520 167.107  3.3751  122.629 2.6835 135.669 2.5532 -13.04034      3.704070 
1 1 1 10 27 5  o 38.250  4.6546 15.068   2.4028  46.372  5.7270 30.128  7.3392 16.24362       9.309255 
1 1 1 10 27 7  o 236.454 1.9165 560.263  6.4078  239.831 2.6961 233.077 2.7247 6.754105       3.833086 
1 1 1 10 27 9  o 235.289 2.2253 553.292  7.3135  239.480 3.3991 231.098 2.8729 8.382462       4.450583 
1 1 1 10 27 11 o 107.512 2.0188 116.100  3.0598  102.599 2.9823 112.425 2.7216 -9.826813      4.037510 
1 1 1 10 27 13 o 88.008  2.4143 77.674   2.9976  92.750  3.3612 83.266  3.4667 9.484154       4.828678 
1 1 1 10 27 15 o 22.730  5.8997 4.2244   2.5084  20.834  8.1014 24.625  8.5786 -3.790771      11.79939 
1 1 1 10 27 17 o 38.363  5.8689 15.750   3.0106  40.805  6.2253 35.921  9.9509 4.884125       11.73775 
1 1 1 10 27 19 o 46.817  4.1382 22.029   2.6739  44.072  5.2398 49.563  6.4066 -5.490456      8.276483 
1 1 1 10 27 21 o 54.574  3.8927 30.517   2.6915  55.361  3.8585 53.788  6.7620 1.573109       7.785403 
1 1 1 10 27 23 o 37.947  5.4237 16.270   2.6737  44.269  5.0861 31.625  9.5812 12.64380       10.84743 
1 1 1 10 27 25 o 49.464  3.6432 24.573   2.3358  47.312  3.9048 51.616  6.1518 -4.303555      7.286383 
1 1 1 10 27 27 o 29.006  5.7766 8.9257   2.2556  25.730  6.6755 32.282  9.4295 -6.552330      11.55321 
1 1 1 10 27 29 o 38.852  4.7827 16.927   2.2119  41.827  4.1408 35.877  8.6227 5.949570       9.565411 
1 1 1 10 27 31 o 38.859  5.5436 18.073   1.8713  42.863  2.8285 34.855  10.720 8.007793       11.08720 
1 1 1 10 27 33 o 19.768  6.5367 -2.5002  4.1075  15.388  7.4049 24.148  10.774 -8.759795      13.07334 
1 1 1 10 27 35 o 21.023  6.8197 0.9127   4.5746  21.075  9.2231 20.971  10.048 0.1040764      13.63936 
1 1 1 10 28 0  o 225.031 2.6947 507.121  12.124  225.031 2.6947 ?       ?      0.000000       0.000000 
1 1 1 10 28 2  o 99.522  2.0770 99.420   2.9083  100.752 2.7505 98.292  3.1130 2.459961       4.153989 
1 1 1 10 28 4  o 26.416  6.1021 6.8644   2.6011  26.858  9.0584 25.975  8.1785 0.8829823      12.20421 
1 1 1 10 28 6  o 52.926  3.6364 28.289   2.7134  55.326  4.9044 50.527  5.3703 4.799541       7.272766 
1 1 1 10 28 8  o 44.217  4.5665 19.746   2.8435  42.433  6.2585 46.001  6.6516 -3.567875      9.133018 
1 1 1 10 28 10 o 153.740 1.9394 237.077  4.2113  154.091 2.6601 153.390 2.8228 0.7003632      3.878724 
1 1 1 10 28 12 o 238.705 2.0694 571.185  6.9684  242.398 3.0248 235.013 2.8250 7.385010       4.138864 
1 1 1 10 28 14 o 37.857  4.8644 14.953   2.5402  35.481  7.4017 40.232  6.3139 -4.750946      9.728811 
1 1 1 10 28 16 o 123.902 2.0809 154.492  3.6289  125.400 2.7623 122.405 3.1129 2.995148       4.161790 
1 1 1 10 28 18 o 156.982 1.9877 248.331  4.2745  158.472 2.3680 155.492 3.1931 2.979767       3.975317 
1 1 1 10 28 20 o 101.843 2.5705 104.438  3.5839  101.404 3.0744 102.282 4.1204 -0.8781586     5.140997 
1 1 1 10 28 22 o 72.342  2.9051 53.032   2.8889  72.357  3.5107 72.327  4.6296 0.2961731E-01  5.810190 
1 1 1 10 28 24 o 24.080  5.9024 2.7026   2.7894  14.047  6.5782 34.113  9.8020 -20.06568      11.80476 
1 1 1 10 28 26 o 26.364  5.7821 7.5570   2.3916  28.181  6.9903 24.548  9.2123 3.632681       11.56421 
1 1 1 10 28 28 o 42.823  4.2526 19.262   2.4090  41.579  4.7209 44.066  7.0747 -2.487152      8.505188 
1 1 1 10 28 30 o 31.714  4.8749 11.846   2.0362  34.848  4.8044 28.580  8.4840 6.267899       9.749844 
1 1 1 10 28 32 o 30.249  5.3783 11.410   1.6434  33.947  3.0612 26.551  10.312 7.395735       10.75653 
1 1 1 10 28 34 o 23.336  6.9365 6.8980   3.9873  25.031  9.9284 21.641  9.6897 3.390121       13.87308 
1 1 1 10 29 1  o 109.322 2.1471 119.802  3.3133  107.596 2.9511 111.047 3.1193 -3.451622      4.294102 
1 1 1 10 29 3  o 112.974 2.1139 127.952  3.3712  111.381 2.9027 114.567 3.0739 -3.185364      4.227797 
1 1 1 10 29 5  o 21.110  5.9829 2.3658   2.7122  21.335  8.5507 20.884  8.3704 0.4510555      11.96573 
1 1 1 10 29 7  o 114.059 2.1823 130.890  3.4525  115.097 2.7086 113.021 3.4224 2.075142       4.364588 
1 1 1 10 29 9  f 52.650  4.1230 28.231   3.0598  55.117  5.5515 50.183  6.0973 4.934376       8.245968 
1 1 1 10 29 11 o 28.794  5.8569 8.5977   2.6240  23.687  8.4596 33.901  8.1025 -10.21339      11.71388 
1 1 1 10 29 13 o 114.693 2.4774 132.661  4.0122  111.641 3.6199 117.744 3.3832 -6.102928      4.954740 
1 1 1 10 29 15 o 83.578  2.7172 70.438   3.1976  77.536  3.9463 89.620  3.7363 -12.08451      5.434443 
1 1 1 10 29 17 o 144.046 2.1373 204.788  4.1329  137.006 2.4862 151.085 3.4773 -14.07864      4.274631 
1 1 1 10 29 19 o 150.132 2.0865 225.158  4.2388  146.875 2.4370 153.389 3.3874 -6.513336      4.172972 
1 1 1 10 29 21 o 70.995  3.0934 49.961   2.9882  64.586  3.8437 77.405  4.8480 -12.81848      6.186876 
1 1 1 10 29 23 o 33.464  6.3523 12.246   2.9201  28.717  7.9677 38.211  9.8956 -9.494404      12.70456 
1 1 1 10 29 25 o 54.179  4.2615 31.967   2.9030  58.277  4.0617 50.082  7.4929 8.195007       8.522995 
1 1 1 10 29 27 o 22.099  5.7551 4.3686   2.3962  17.291  7.2159 26.906  8.9673 -9.615089      11.51012 
1 1 1 10 29 29 o 20.793  5.9053 3.9715   2.5354  20.321  7.4185 21.265  9.1901 -0.9441795     11.81065 
1 1 1 10 29 31 o 39.570  4.3402 18.021   2.1317  41.371  4.1864 37.769  7.6043 3.602364       8.680490 
1 1 1 10 29 33 o 18.658  6.1483 0.0117   3.9827  17.086  8.1719 20.230  9.1884 -3.144745      12.29661 
1 1 1 10 30 0  o 18.998  10.584 5.1959   5.8887  18.998  10.584 ?       ?      0.000000       0.000000 
1 1 1 10 30 2  o 100.749 2.1840 102.539  3.0884  107.229 2.8535 94.270  3.3070 12.95956       4.367969 
1 1 1 10 30 4  o 100.215 2.4098 101.253  3.4052  103.337 3.2404 97.094  3.5676 6.242607       4.819519 
1 1 1 10 30 6  o 29.063  5.5931 8.7729   2.6827  36.491  6.8962 21.634  8.8075 14.85735       11.18612 
1 1 1 10 30 8  f 60.120  3.3256 36.492   2.8183  63.144  4.7543 57.096  4.6513 6.047985       6.651161 
1 1 1 10 30 10 o 22.111  6.3049 2.6274   3.0326  22.219  8.6565 22.002  9.1691 0.2163372      12.60981 
1 1 1 10 30 12 o 64.848  3.2409 42.495   2.9595  62.994  4.3991 66.702  4.7604 -3.707764      6.481747 
1 1 1 10 30 14 o 31.571  6.3736 10.778   2.9976  30.209  9.3610 32.934  8.6524 -2.724886      12.74724 
1 1 1 10 30 16 f 34.482  6.3031 12.239   3.8796  45.453  7.1128 23.510  10.408 21.94295       12.60629 
1 1 1 10 30 18 o 55.966  3.8171 32.239   2.9621  55.902  4.7506 56.031  5.9761 -0.1292419     7.634282 
1 1 1 10 30 20 o 44.673  5.3631 20.559   3.0315  40.840  5.7958 48.506  9.0256 -7.665295      10.72629 
1 1 1 10 30 22 o 98.298  2.8623 92.303   3.4488  87.977  2.8874 108.618 4.9431 -20.64027      5.724621 
1 1 1 10 30 24 f 65.301  3.1525 43.929   2.7292  64.730  3.4784 65.871  5.2586 -1.140968      6.304950 
1 1 1 10 30 26 o 21.033  6.1129 3.2863   2.8422  20.607  7.9282 21.460  9.3066 -0.8536377     12.22576 
1 1 1 10 30 28 o 32.543  5.0208 11.847   2.3555  21.325  7.4541 43.761  6.7282 -22.43584      10.04154 
1 1 1 10 30 30 o 18.139  5.5040 1.2794   2.5775  18.735  7.2883 17.544  8.2496 1.191259       11.00799 
1 1 1 10 30 32 f 16.912  4.9795 2.3993   1.8254  15.076  6.1174 18.747  7.8586 -3.671028      9.958962 
1 1 1 10 31 1  o 120.597 2.2402 147.519  3.7760  127.664 2.8490 113.530 3.4579 14.13354       4.480413 
1 1 1 10 31 3  o 44.564  4.7807 20.731   2.9083  49.903  6.1316 39.226  7.3365 10.67685       9.561430 
1 1 1 10 31 5  o 26.398  6.0999 5.2132   3.0755  34.990  9.2592 17.806  7.9437 17.18405       12.19976 
1 1 1 10 31 7  o 51.900  3.8610 27.481   2.8289  50.120  5.6442 53.680  5.2699 -3.559605      7.721997 
1 1 1 10 31 9  o 31.832  5.8310 10.872   2.7085  26.750  8.5844 36.913  7.8937 -10.16313      11.66197 
1 1 1 10 31 11 o 64.188  3.2318 42.154   2.8450  62.141  5.2027 66.234  3.8352 -4.093754      6.463525 
1 1 1 10 31 13 o 76.342  2.7822 58.989   2.9976  76.151  3.7906 76.533  4.0735 -0.3812027     5.564356 
1 1 1 10 31 15 o 35.947  6.3026 14.159   3.2044  29.133  8.8948 42.761  8.9316 -13.62833      12.60520 
1 1 1 10 31 17 o 78.525  2.9866 62.889   2.8220  79.009  2.7036 78.042  5.3263 0.9673233      5.973166 
1 1 1 10 31 19 o 62.738  4.2226 40.127   3.2706  60.588  4.0973 64.888  7.3847 -4.299500      8.445235 
1 1 1 10 31 21 o 23.193  6.7251 3.8488   3.0791  19.063  7.7368 27.324  11.002 -8.260910      13.45014 
1 1 1 10 31 23 o 21.880  6.3077 2.7538   3.1522  22.916  8.2570 20.845  9.5379 2.071321       12.61546 
1 1 1 10 31 25 o 15.990  5.3367 -3.5054  2.8250  12.634  6.0967 19.346  8.7608 -6.711704      10.67340 
1 1 1 10 31 27 o 23.653  6.4377 6.8135   2.9697  23.119  8.3523 24.188  9.7989 -1.069273      12.87549 
1 1 1 10 31 29 o 24.438  5.7699 7.4294   2.7225  29.161  7.3280 19.714  8.9145 9.447788       11.53987 
1 1 1 10 32 0  o 175.411 2.7992 308.752  9.8145  175.411 2.7992 ?       ?      0.000000       0.000000 
1 1 1 10 32 2  o 71.009  3.0630 51.193   3.0424  72.014  3.9282 70.005  4.7007 2.009369       6.126007 
1 1 1 10 32 4  o 32.973  5.9440 11.784   2.9432  40.280  7.7288 25.665  9.0328 14.61428       11.88803 
1 1 1 10 32 6  o 22.366  6.2313 3.1753   2.9443  20.464  8.5675 24.269  9.0507 -3.804394      12.46264 
1 1 1 10 32 8  o 88.994  2.8205 80.087   3.5447  86.024  3.9596 91.964  4.0177 -5.940269      5.640966 
1 1 1 10 32 10 o 115.535 2.2099 134.805  3.6080  112.446 3.1832 118.624 3.0661 -6.178452      4.419708 
1 1 1 10 32 12 o 44.647  5.2833 21.888   3.1334  50.310  5.8524 38.984  8.7978 11.32563       10.56653 
1 1 1 10 32 14 o 103.172 2.3598 107.953  3.4232  103.674 3.1184 102.670 3.5426 1.004639       4.719565 
1 1 1 10 32 16 o 95.697  2.6104 93.686   3.2835  97.157  2.7928 94.237  4.4109 2.920525       5.220742 
1 1 1 10 32 18 o 25.053  6.5161 6.1031   3.1495  27.210  8.7772 22.897  9.6331 4.312141       13.03211 
1 1 1 10 32 20 f 35.529  6.0179 15.196   2.8086  39.936  5.3488 31.122  10.782 8.814426       12.03572 
1 1 1 10 32 22 o 18.622  5.7659 -0.6018  3.1022  20.257  8.1584 16.986  8.1501 3.270588       11.53181 
1 1 1 10 32 24 o 16.779  5.4305 -1.6221  2.8720  16.450  7.3112 17.108  8.0317 -0.6582546     10.86102 
1 1 1 10 32 26 o 23.026  6.3608 6.1353   2.7689  19.086  7.6251 26.966  10.183 -7.880005      12.72151 
1 1 1 10 32 28 o 23.041  6.4652 7.4485   2.9882  20.429  8.1270 25.653  10.057 -5.224049      12.93043 
1 1 1 10 33 1  o 79.091  2.8958 63.736   3.2330  81.865  3.9492 76.317  4.2363 5.547585       5.791552 
1 1 1 10 33 3  o 18.822  5.8196 -1.2437  3.0307  16.379  7.6096 21.264  8.8070 -4.885159      11.63916 
1 1 1 10 33 5  o 94.947  2.4947 91.348   3.3475  94.439  3.6068 95.455  3.4474 -1.015755      4.989362 
1 1 1 10 33 7  o 95.258  2.8497 92.120   3.8338  98.713  4.0355 91.802  4.0248 6.911171       5.699474 
1 1 1 10 33 9  o 54.131  4.0808 30.448   3.1004  53.865  5.3590 54.397  6.1556 -0.5319748     8.161509 
1 1 1 10 33 11 o 21.542  6.1230 1.6795   3.1490  25.078  9.0118 18.006  8.2918 7.071760       12.24608 
1 1 1 10 33 13 o 17.376  5.7632 -6.3875  3.6025  19.590  8.8836 15.163  7.3442 4.427722       11.52634 
1 1 1 10 33 15 o 24.277  6.2358 5.7892   2.8923  26.989  8.6810 21.566  8.9543 5.423019       12.47156 
1 1 1 10 33 17 o 66.485  3.8002 47.145   3.1087  68.623  3.5335 64.347  6.7291 4.276138       7.600371 
1 1 1 10 33 19 o 35.301  5.9568 15.908   3.0241  42.577  5.8306 28.024  10.389 14.55212       11.91350 
1 1 1 10 33 21 f 24.117  7.2454 4.1567   3.7718  16.477  7.5478 31.758  12.370 -15.28142      14.49073 
1 1 1 10 33 23 o 32.085  6.2729 13.916   2.9030  34.311  7.1354 29.860  10.319 4.451607       12.54572 
1 1 1 10 33 25 o 23.171  6.4391 6.8580   3.1895  24.733  8.7522 21.609  9.4470 3.123972       12.87817 
1 1 1 10 34 0  o 94.214  3.8128 90.062   7.1588  94.214  3.8128 ?       ?      0.000000       0.000000 
1 1 1 10 34 2  o 51.966  4.5652 28.544   3.3445  52.732  6.1310 51.199  6.7656 1.533249       9.130304 
1 1 1 10 34 4  o 22.682  6.3049 2.5770   3.1375  28.365  9.9776 16.998  7.7105 11.36637       12.60970 
1 1 1 10 34 6  o 19.667  5.7664 -1.4878  3.0285  13.959  6.7641 25.376  9.3408 -11.41696      11.53276 
1 1 1 10 34 8  o 26.870  6.8211 7.5629   3.3485  29.066  9.7562 24.674  9.5356 4.392231       13.64222 
1 1 1 10 34 10 f 52.009  4.5567 28.994   3.3475  51.279  6.6424 52.739  6.2397 -1.459747      9.113475 
1 1 1 10 34 12 o 21.788  6.4399 2.8264   3.3194  22.089  9.1849 21.486  9.0293 0.6027031      12.87982 
1 1 1 10 34 14 o 24.691  6.4511 5.4748   2.8147  17.732  7.4077 31.651  10.564 -13.91840      12.90223 
1 1 1 10 34 16 o 27.248  7.2821 8.4427   3.5570  20.874  8.4741 33.622  11.845 -12.74741      14.56416 
1 1 1 10 34 18 o 29.393  7.0339 10.636   3.3410  21.945  8.4898 36.841  11.217 -14.89597      14.06785 
1 1 1 10 34 20 o 24.515  6.6261 6.6673   3.2883  18.145  8.0017 30.885  10.564 -12.73984      13.25222 
1 1 1 10 34 22 o 18.624  6.1007 -1.0974  3.5003  14.680  7.0179 22.568  9.9810 -7.887638      12.20133 
1 1 1 10 34 24 o 21.384  6.4695 5.3360   3.2482  19.899  8.1016 22.869  10.089 -2.969440      12.93896 
1 1 1 10 35 1  o 80.282  3.1873 66.837   3.6062  75.426  4.6691 85.138  4.3399 -9.712143      6.374521 
1 1 1 10 35 3  o 76.874  3.1968 61.440   3.4630  74.085  4.7535 79.663  4.2758 -5.577438      6.393610 
1 1 1 10 35 5  o 44.157  5.0938 21.567   3.0755  49.616  6.6325 38.697  7.7329 10.91819       10.18763 
1 1 1 10 35 7  o 25.494  6.6133 6.1509   3.4052  30.506  9.7414 20.481  8.9470 10.02449       13.22661 
1 1 1 10 35 9  o 24.460  6.0041 3.1034   3.2897  15.239  7.3191 33.681  9.5197 -18.44185      12.00813 
1 1 1 10 35 11 o 39.200  5.4559 18.074   2.9152  38.613  7.8980 39.787  7.5291 -1.173954      10.91175 
1 1 1 10 35 13 o 36.479  6.2728 16.910   3.0588  37.617  6.8532 35.342  10.508 2.274555       12.54567 
1 1 1 10 35 15 o 31.144  6.7248 12.769   3.1366  31.408  8.0507 30.880  10.774 0.5273247      13.44952 
1 1 1 10 35 17 o 42.834  6.0257 23.700   3.3876  46.737  6.1763 38.931  10.348 7.805347       12.05149 
1 1 1 10 35 19 o 39.960  6.6761 21.525   3.5606  39.891  7.6541 40.030  10.941 -0.1396294     13.35226 
1 1 1 10 35 21 o 27.040  7.0990 11.662   3.4639  23.990  8.9587 30.089  11.015 -6.098700      14.19805 
1 1 1 10 36 0  o 112.763 3.8497 130.013  8.6598  112.763 3.8497 ?       ?      0.000000       0.000000 
1 1 1 10 36 2  o 102.220 2.7354 108.579  3.9528  100.671 3.8423 103.770 3.8945 -3.098534      5.470816 
1 1 1 10 36 4  o 51.214  4.4248 29.146   3.2039  50.307  6.3118 52.121  6.2029 -1.813721      8.849578 
1 1 1 10 36 6  o 47.891  5.8326 28.088   3.7091  43.988  9.7098 51.795  6.4649 -7.806225      11.66510 
1 1 1 10 36 8  o 32.117  6.7076 13.819   3.6025  39.373  8.9915 24.862  9.9560 14.51147       13.41530 
1 1 1 10 36 10 o 30.217  6.8333 12.273   3.3712  27.527  9.9477 32.907  9.3712 -5.380268      13.66664 
1 1 1 10 36 12 o 27.324  6.8516 9.9911   3.4290  23.096  9.2923 31.552  10.071 -8.456560      13.70317 
1 1 1 10 36 14 o 22.504  6.5339 5.5986   2.9212  20.113  7.6570 24.895  10.589 -4.781956      13.06777 
1 1 1 10 36 16 o 23.712  6.6706 7.2920   3.2685  22.773  8.7062 24.651  10.109 -1.878340      13.34117 
1 1 1 10 36 18 o 33.363  6.2818 16.624   3.0517  38.962  5.7789 27.763  11.156 11.19828       12.56362 
1 1 1 10 37 1  o 44.440  5.9885 24.523   3.6276  43.775  9.4985 45.105  7.2958 -1.329502      11.97707 
1 1 1 10 37 3  o 52.595  4.8730 32.366   3.4753  56.200  5.5473 48.991  8.0133 7.208534       9.746028 
1 1 1 10 37 5  o 33.391  6.7971 15.788   3.5896  27.754  10.369 39.027  8.7910 -11.27298      13.59419 
1 1 1 10 37 7  o 19.055  6.2678 -1.4606  4.0008  21.520  9.7186 16.589  7.9177 4.931969       12.53562 
1 1 1 10 37 9  o 20.922  6.3410 3.7785   3.3126  19.812  8.4858 22.032  9.4247 -2.220276      12.68196 
1 1 1 10 37 11 o 17.967  5.8030 -0.8589  3.2654  15.126  7.2133 20.808  9.0922 -5.682204      11.60605 
1 1 1 10 37 13 o 20.891  6.5399 4.0950   3.4800  16.421  7.5005 25.361  10.715 -8.939955      13.07972 
1 1 1 10 37 15 o 21.342  6.5230 4.8692   3.2630  18.501  7.8610 24.183  10.412 -5.682318      13.04594 
1 1 1 10 38 0  f 77.970  4.3224 63.621   6.6969  77.970  4.3224 ?       ?      0.000000       0.000000 
1 1 1 10 38 2  o 51.853  5.5026 33.746   3.8967  47.412  8.5965 56.293  6.8713 -8.880665      11.00522 
1 1 1 10 38 4  o 36.666  6.5688 19.897   3.6603  28.273  10.335 45.059  8.1114 -16.78554      13.13766 
1 1 1 10 38 6  o 18.939  6.1171 0.6758   3.7181  16.132  7.7366 21.746  9.4773 -5.614048      12.23412 
1 1 1 10 38 8  o 24.625  6.6612 8.8138   3.5390  20.366  9.0721 28.885  9.7562 -8.518942      13.32237 
1 1 1 10 38 10 o 22.719  6.6323 6.4069   3.5458  23.894  9.0829 21.544  9.6668 2.349903       13.26450 
1 1 1 11 1  0  o 516.940 4.5797 2673.58  47.340  516.940 4.5797 ?       ?      0.000000       0.000000 
1 1 1 11 1  2  o 239.680 1.8348 565.812  5.9162  229.824 2.1352 249.535 2.9845 -19.71121      3.669688 
1 1 1 11 1  4  f 312.340 2.1302 977.641  9.1878  314.724 2.6048 309.956 3.3713 4.767700       4.260364 
1 1 1 11 1  6  o 346.888 2.4562 1204.43  12.037  356.466 3.3849 337.310 3.5600 19.15552       4.912370 
1 1 1 11 1  8  o 403.382 2.5251 1627.32  14.400  401.523 3.5227 405.241 3.6186 -3.717682      5.050106 
1 1 1 11 1  10 o 430.445 2.6554 1852.88  16.162  427.328 3.7288 433.562 3.7817 -6.234436      5.310836 
1 1 1 11 1  12 o 587.093 3.4453 3446.56  28.591  582.018 4.8010 592.169 4.9429 -10.15088      6.890678 
1 1 1 11 1  14 o 537.753 3.2454 2892.28  24.675  535.705 4.5371 539.801 4.6417 -4.096558      6.490774 
1 1 1 11 1  16 o 590.430 3.5228 3487.26  29.413  584.751 4.9957 596.110 4.9683 -11.35895      7.045675 
1 1 1 11 1  18 o 581.816 3.4338 3383.22  28.224  594.863 4.9205 568.769 4.7910 26.09406       6.867672 
1 1 1 11 1  20 o 317.100 2.2958 1005.12  10.136  315.973 2.9051 318.227 3.5558 -2.254181      4.591680 
1 1 1 11 1  22 o 539.873 3.4261 2918.05  25.459  540.359 4.1561 539.388 5.4480 0.9709473      6.852276 
1 1 1 11 1  24 o 279.219 2.0172 778.784  7.7728  277.551 2.4753 280.888 3.1858 -3.337097      4.034383 
1 1 1 11 1  26 o 70.292  3.2187 52.956   2.0636  75.055  1.8461 65.530  6.1671 9.524864       6.437455 
1 1 1 11 1  28 o 164.747 1.6172 271.862  3.6430  165.357 1.9203 164.139 2.6028 1.217972       3.234493 
1 1 1 11 1  30 o 79.806  1.6946 63.226   1.8614  77.464  2.0868 82.148  2.6706 -4.683762      3.389203 
1 1 1 11 1  32 o 55.696  2.5356 31.822   1.9129  60.269  2.8738 51.124  4.1782 9.144287       5.071109 
1 1 1 11 1  34 o 48.305  2.7543 23.247   1.8403  46.895  3.4471 49.714  4.2967 -2.819946      5.508573 
1 1 1 11 1  36 o 85.679  1.8176 73.417   2.1695  84.954  2.3105 86.403  2.8063 -1.449120      3.635107 
1 1 1 11 1  38 o 39.555  4.3921 16.387   2.2386  41.575  4.5825 37.536  7.4941 4.038910       8.784148 
1 1 1 11 1  40 o 64.859  2.6324 42.502   2.3677  65.409  3.2658 64.310  4.1295 1.099129       5.264813 
1 1 1 11 1  42 o 59.289  2.9320 35.559   2.4370  58.720  3.8344 59.857  4.4367 -1.137211      5.864044 
1 1 1 11 1  44 o 25.292  5.8632 6.8260   2.4370  26.315  7.9158 24.268  8.6515 2.046961       11.72638 
1 1 1 11 1  46 o 22.782  6.0938 4.9564   2.7085  20.849  8.3077 24.715  8.9173 -3.865955      12.18752 
1 1 1 11 1  48 o 23.804  6.0353 6.5504   2.6842  27.236  8.7763 20.372  8.2871 6.863979       12.07065 
1 1 1 11 1  50 o 31.475  7.0214 15.953   3.5757  28.397  10.197 34.552  9.6556 -6.155811      14.04281 
1 1 1 11 2  1  o 555.575 3.4210 3088.42  26.865  555.714 4.9243 555.435 4.7501 0.2789307      6.841946 
1 1 1 11 2  3  o 576.286 3.6980 3320.83  29.306  574.718 4.4802 577.853 5.8846 -3.135498      7.396000 
1 1 1 11 2  5  o 205.613 1.5788 422.855  4.5895  202.076 2.2570 209.151 2.2083 -7.075333      3.157600 
1 1 1 11 2  7  o 582.977 3.4801 3399.91  28.689  587.519 4.9427 578.435 4.9006 9.083923       6.960299 
1 1 1 11 2  9  o 747.086 4.3714 5584.50  46.186  747.199 6.1735 746.974 6.1908 0.2250366      8.742861 
1 1 1 11 2  11 o 804.246 4.6241 6470.88  52.590  807.394 6.5713 801.098 6.5076 6.295776       9.248265 
1 1 1 11 2  13 o 429.957 2.6064 1848.65  15.845  423.150 3.6974 436.764 3.6747 -13.61368      5.212842 
1 1 1 11 2  15 o 267.938 1.8207 717.786  6.8960  265.881 2.5405 269.995 2.6087 -4.114441      3.641341 
1 1 1 11 2  17 o 463.320 2.8414 2146.33  18.606  468.456 4.0792 458.183 3.9565 10.27240       5.682769 
1 1 1 11 2  19 o 369.810 2.3790 1367.38  12.436  378.074 3.3594 361.546 3.3693 16.52811       4.757917 
1 1 1 11 2  21 o 262.222 2.1944 686.764  8.1255  269.549 3.1485 254.895 3.0577 14.65466       4.388871 
1 1 1 11 2  23 o 60.592  1.7562 36.358   1.4655  58.356  2.1765 62.829  2.7567 -4.472572      3.512304 
1 1 1 11 2  25 o 33.452  3.6243 11.200   2.4248  33.452  3.6243 ?       ?      ?              ?        
1 1 1 11 2  27 o 95.276  1.5234 90.922   1.9612  95.616  1.7510 94.936  2.4933 0.6793442      3.046712 
1 1 1 11 2  29 o 125.084 1.4864 157.047  2.5518  126.524 1.7796 123.643 2.3813 2.880524       2.972796 
1 1 1 11 2  31 o 52.861  2.4839 28.985   1.7036  57.136  2.5261 48.586  4.2777 8.550320       4.967888 
1 1 1 11 2  33 o 94.369  1.7401 88.634   2.2573  92.397  2.1244 96.342  2.7565 -3.944916      3.480168 
1 1 1 11 2  35 o 108.054 1.6333 117.256  2.4704  109.988 2.0996 106.119 2.5026 3.869072       3.266653 
1 1 1 11 2  37 o 88.853  1.9384 79.287   2.4124  89.940  2.5034 87.765  2.9601 2.174797       3.876767 
1 1 1 11 2  39 o 66.927  2.6260 45.416   2.4261  68.874  3.1853 64.980  4.1758 3.894608       5.251977 
1 1 1 11 2  41 o 42.913  4.0418 18.584   2.4261  38.499  5.6983 47.326  5.7335 -8.826298      8.083554 
1 1 1 11 2  43 f 32.436  5.2828 11.635   2.3955  36.290  6.7743 28.583  8.1081 7.707544       10.56560 
1 1 1 11 2  45 o 17.191  5.3166 -1.3622  2.5610  13.930  6.5738 20.452  8.3576 -6.521923      10.63316 
1 1 1 11 2  47 o 26.976  5.6542 8.6443   2.5662  20.739  8.3462 33.214  7.6303 -12.47434      11.30846 
1 1 1 11 2  49 o 16.218  5.3462 -2.5735  2.9976  14.643  7.0044 17.794  8.0786 -3.150703      10.69235 
1 1 1 11 3  0  f 1183.69 9.6732 14030.91 228.966 1183.69 9.6732 ?       ?      0.000000       0.000000 
1 1 1 11 3  2  o 322.763 2.2674 1048.06  10.169  313.561 3.5535 331.964 2.8174 -18.40250      4.534839 
1 1 1 11 3  4  o 441.498 2.9347 1952.61  17.609  439.676 4.7664 443.319 3.4250 -3.642609      5.869348 
1 1 1 11 3  6  o 132.995 1.1979 176.939  2.2501  133.689 1.6410 132.300 1.7455 1.389526       2.395746 
1 1 1 11 3  8  o 313.544 2.0515 983.035  9.0817  314.472 2.9924 312.616 2.8071 1.856781       4.102953 
1 1 1 11 3  10 o 472.172 2.8791 2229.94  19.224  471.567 4.1013 472.778 4.0419 -1.211609      5.758283 
1 1 1 11 3  12 o 163.540 1.3364 267.610  3.0884  160.963 1.9368 166.117 1.8420 -5.154144      2.672831 
1 1 1 11 3  14 o 174.113 1.3952 302.914  3.4290  172.091 1.9122 176.135 2.0322 -4.044510      2.790404 
1 1 1 11 3  16 o 64.257  1.4361 41.167   1.2932  70.950  1.9529 57.564  2.1061 13.38646       2.872212 
1 1 1 11 3  18 o 185.293 1.3881 343.201  3.6335  183.673 1.9174 186.912 2.0077 -3.239273      2.776155 
1 1 1 11 3  20 o 46.272  2.2081 21.426   1.4410  46.084  3.2572 46.460  2.9823 -0.3755798     4.416260 
1 1 1 11 3  22 o 198.617 1.6133 393.823  4.4291  197.097 1.9918 200.138 2.5385 -3.040726      3.226633 
1 1 1 11 3  24 o 374.408 2.8530 1409.81  14.174  378.840 3.1240 369.976 4.7749 8.864380       5.706100 
1 1 1 11 3  26 o 374.345 2.6395 1408.83  13.566  380.151 3.1588 368.540 4.2296 11.61124       5.278980 
1 1 1 11 3  28 o 170.592 1.5098 292.322  3.5692  173.596 1.8624 167.588 2.3770 6.008514       3.019678 
1 1 1 11 3  30 o 52.181  2.5832 28.546   1.7431  57.838  2.5952 46.525  4.4672 11.31334       5.166359 
1 1 1 11 3  32 o 105.821 1.5744 112.495  2.3207  107.901 1.9797 103.740 2.4486 4.161407       3.148808 
1 1 1 11 3  34 o 19.462  4.9308 2.7910   1.8456  22.729  7.1026 16.196  6.8412 6.532490       9.861502 
1 1 1 11 3  36 o 14.671  4.6310 -1.6165  1.9629  14.871  6.5976 14.471  6.5005 0.4001684      9.262030 
1 1 1 11 3  38 o 56.636  2.6325 32.283   2.1068  57.304  3.6269 55.969  3.8166 1.334404       5.265049 
1 1 1 11 3  40 o 54.662  3.0798 30.328   2.3544  55.661  3.9414 53.663  4.7336 1.997528       6.159690 
1 1 1 11 3  42 o 27.858  5.4977 8.0697   2.3093  22.167  7.6777 33.548  7.8711 -11.38136      10.99548 
1 1 1 11 3  44 o 26.081  5.9017 7.3141   2.5084  22.999  8.2600 29.163  8.4318 -6.163584      11.80346 
1 1 1 11 3  46 o 18.127  5.5519 0.5329   2.6240  18.213  7.8034 18.041  7.8995 0.1718121      11.10385 
1 1 1 11 3  48 o 23.242  6.1147 6.3431   2.6818  23.562  8.7818 22.922  8.5110 0.6402245      12.22936 
1 1 1 11 3  50 o 18.709  5.9858 1.2525   3.3740  18.582  8.9727 18.836  7.9252 -0.2546062     11.97157 
1 1 1 11 4  1  o 341.152 2.2136 1163.57  10.673  345.033 3.1792 337.270 3.0812 7.762909       4.427248 
1 1 1 11 4  3  o 722.613 4.4254 5225.56  44.017  723.128 7.0336 722.098 5.3727 1.030090       8.850861 
1 1 1 11 4  5  o 550.191 3.4595 3022.82  26.166  553.997 5.5023 546.385 4.1948 7.612427       6.918943 
1 1 1 11 4  7  o 303.610 2.1077 924.702  8.7995  300.211 3.3654 307.010 2.5386 -6.799652      4.215479 
1 1 1 11 4  9  o 470.059 2.8402 2209.97  18.874  470.229 4.0761 469.888 3.9562 0.3410339      5.680356 
1 1 1 11 4  11 o 472.956 2.8742 2236.98  19.221  475.628 4.1027 470.284 4.0265 5.343933       5.748483 
1 1 1 11 4  13 o 278.641 1.9265 776.150  7.5864  281.385 2.7698 275.896 2.6784 5.489166       3.853047 
1 1 1 11 4  15 o 76.880  1.3587 59.206   1.4671  77.856  1.7797 75.903  2.0536 1.952950       2.717456 
1 1 1 11 4  17 o 171.354 1.3945 293.505  3.3751  164.717 1.9978 177.991 1.9461 -13.27380      2.789027 
1 1 1 11 4  19 o 287.541 1.9363 822.104  7.8144  275.590 2.5976 299.492 2.8722 -23.90182      3.872648 
1 1 1 11 4  21 o 284.874 2.0017 805.318  7.8238  277.025 2.4383 292.723 3.1753 -15.69815      4.003489 
1 1 1 11 4  23 o 232.725 2.0550 545.329  6.4766  237.243 2.3605 228.207 3.3647 9.035828       4.110076 
1 1 1 11 4  25 o 118.854 1.5430 140.646  2.4090  117.601 1.6691 120.108 2.5956 -2.508003      3.085960 
1 1 1 11 4  27 o 176.486 1.5580 312.447  3.7608  178.100 1.8477 174.872 2.5091 3.227966       3.115988 
1 1 1 11 4  29 o 197.987 1.6807 393.206  4.5526  199.625 1.9955 196.349 2.7051 3.275879       3.361467 
1 1 1 11 4  31 o 153.142 1.5195 236.140  3.2494  159.010 1.9243 147.273 2.3520 11.73705       3.038910 
1 1 1 11 4  33 o 88.850  1.7231 79.842   2.1299  94.249  2.1439 83.452  2.6980 10.79700       3.446138 
1 1 1 11 4  35 o 55.103  2.4774 30.188   1.9129  51.561  3.3591 58.644  3.6425 -7.083366      4.954881 
1 1 1 11 4  37 o 36.024  4.0198 13.065   2.0393  34.130  5.5821 37.918  5.7857 -3.787964      8.039560 
1 1 1 11 4  39 o 60.353  2.6609 37.174   2.2223  52.610  4.1700 68.095  3.3065 -15.48495      5.321784 
1 1 1 11 4  41 o 25.826  5.0772 6.8155   2.1345  32.282  6.6655 19.370  7.6606 12.91195       10.15446 
1 1 1 11 4  43 o 77.022  2.4488 60.260   2.6544  80.116  3.2427 73.928  3.6703 6.187935       4.897626 
1 1 1 11 4  45 o 14.564  4.7553 -3.0598  2.3093  15.288  6.9442 13.840  6.4983 1.448479       9.510520 
1 1 1 11 4  47 o 26.577  6.0103 8.7214   2.5864  29.934  8.7257 23.221  8.2679 6.713036       12.02061 
1 1 1 11 4  49 o 22.795  6.2242 6.2237   2.9015  21.352  8.8695 24.238  8.7346 -2.885777      12.44831 
1 1 1 11 5  0  o 743.899 6.2484 5537.57  92.949  743.899 6.2484 ?       ?      0.000000       0.000000 
1 1 1 11 5  2  o 252.445 1.7304 637.151  6.1752  247.128 2.4529 257.761 2.4413 -10.63295      3.460780 
1 1 1 11 5  4  o 453.364 2.9776 2052.34  18.383  455.962 4.8114 450.767 3.5093 5.195374       5.955235 
1 1 1 11 5  6  o 421.691 2.7522 1769.77  15.769  428.081 4.4505 415.301 3.2390 12.77988       5.504353 
1 1 1 11 5  8  o 437.673 2.7801 1918.79  16.814  435.025 4.3927 440.322 3.4090 -5.296234      5.560296 
1 1 1 11 5  10 o 748.471 4.5036 5615.59  46.519  742.612 7.1367 754.331 5.4952 -11.71991      9.007215 
1 1 1 11 5  12 o 367.327 2.2672 1349.45  11.777  364.451 3.2157 370.203 3.1969 -5.751892      4.534432 
1 1 1 11 5  14 o 644.017 3.7938 4149.27  34.553  644.092 5.3780 643.941 5.3524 0.1510620      7.587558 
1 1 1 11 5  16 o 695.510 4.0647 4840.45  39.979  698.920 5.7408 692.100 5.7557 6.819885       8.129301 
1 1 1 11 5  18 o 449.270 2.7450 2017.59  17.398  453.515 4.0227 445.024 3.7362 8.491425       5.490071 
1 1 1 11 5  20 o 177.637 1.5986 315.828  4.0122  174.111 2.3211 181.164 2.1989 -7.053009      3.197246 
1 1 1 11 5  22 o 328.078 2.5014 1077.95  11.013  328.896 2.8261 327.260 4.1280 1.635895       5.002738 
1 1 1 11 5  24 o 123.859 1.5046 154.288  2.5518  126.217 1.7839 121.500 2.4233 4.717308       3.009113 
1 1 1 11 5  26 o 151.191 1.5129 228.779  3.1456  151.447 1.8298 150.936 2.4097 0.5119324      3.025702 
1 1 1 11 5  28 o 21.428  4.3791 4.6616   1.4580  24.209  5.5932 18.646  6.7395 5.562714       8.758138 
1 1 1 11 5  30 o 120.726 1.4804 145.139  2.4553  118.658 1.8002 122.795 2.3508 -4.136604      2.960889 
1 1 1 11 5  32 o 142.082 1.4875 201.480  2.9258  140.471 1.8495 143.693 2.3303 -3.222015      2.975024 
1 1 1 11 5  34 o 106.719 1.6838 113.586  2.5192  103.893 2.2228 109.545 2.5297 -5.651825      3.367504 
1 1 1 11 5  36 o 32.481  4.5518 10.938   2.0491  36.112  5.7554 28.850  7.0533 7.261604       9.103511 
1 1 1 11 5  38 o 17.793  5.0192 1.3278   1.9612  15.300  6.6597 20.285  7.5112 -4.984978      10.03841 
1 1 1 11 5  40 o 71.523  2.2824 51.035   2.2732  74.691  3.4783 68.356  2.9560 6.334785       4.564712 
1 1 1 11 5  42 o 72.186  2.3760 52.596   2.4234  72.129  3.4417 72.242  3.2765 -0.1120529     4.751957 
1 1 1 11 5  44 o 21.473  5.4529 3.4361   2.3872  16.853  7.4877 26.093  7.9293 -9.240162      10.90587 
1 1 1 11 5  46 o 25.813  6.0074 7.6587   2.5284  26.247  8.7824 25.379  8.1989 0.8680725      12.01472 
1 1 1 11 5  48 o 16.426  5.1638 -2.7019  2.7712  13.902  6.8583 18.951  7.7215 -5.049019      10.32752 
1 1 1 11 5  50 o 28.330  6.5128 11.816   2.9743  31.004  9.6196 25.656  8.7824 5.347649       13.02563 
1 1 1 11 6  1  o 956.603 5.5711 9161.09  75.364  949.841 7.8651 963.364 7.8925 -13.52283      11.14229 
1 1 1 11 6  3  o 577.692 3.4872 3338.07  28.484  572.714 4.8991 582.670 4.9640 -9.956116      6.974442 
1 1 1 11 6  5  o 176.510 1.4575 311.502  3.6335  175.807 2.0031 177.213 2.1176 -1.405716      2.914910 
1 1 1 11 6  7  o 535.874 3.3812 2873.49  24.976  535.079 5.3624 536.669 4.1201 -1.589294      6.762437 
1 1 1 11 6  9  o 575.520 3.5490 3320.02  28.166  570.846 5.6332 580.194 4.3185 -9.348083      7.098066 
1 1 1 11 6  11 o 106.928 1.3974 115.952  1.9808  103.175 2.3501 110.682 1.5127 -7.506622      2.794867 
1 1 1 11 6  13 f 378.037 2.5158 1422.95  12.729  382.438 4.1514 373.636 2.8431 8.801270       5.031590 
1 1 1 11 6  15 o 556.618 3.5765 3085.96  27.630  567.431 5.5552 545.806 4.5060 21.62451       7.152904 
1 1 1 11 6  17 o 550.231 3.2651 3029.17  25.394  549.870 4.7037 550.593 4.5297 -0.7238159     6.530155 
1 1 1 11 6  19 f 234.575 1.6792 550.039  5.5674  238.659 2.3948 230.490 2.3545 8.168457       3.358392 
1 1 1 11 6  21 o 375.772 2.9331 1408.35  14.792  372.437 3.3328 379.107 4.8274 -6.669830      5.866127 
1 1 1 11 6  23 o 284.083 2.5467 808.008  10.203  282.591 3.7591 285.575 3.4367 -2.984314      5.093304 
1 1 1 11 6  25 o 146.517 1.5549 217.489  2.9882  150.803 1.6462 142.231 2.6384 8.572021       3.109815 
1 1 1 11 6  27 o 62.264  1.8054 38.790   1.5829  62.174  2.4143 62.354  2.6850 -0.1805649     3.610832 
1 1 1 11 6  29 o 36.219  2.8479 13.237   1.4341  37.501  3.5409 34.938  4.4616 2.562733       5.695889 
1 1 1 11 6  31 o 200.199 1.6724 400.341  4.6271  198.592 2.0640 201.805 2.6319 -3.213058      3.344732 
1 1 1 11 6  33 o 121.747 1.4793 148.674  2.5389  125.117 1.9841 118.377 2.1946 6.739243       2.958587 
1 1 1 11 6  35 o 68.752  1.9611 47.398   1.9052  67.114  2.8387 70.389  2.7066 -3.274925      3.922238 
1 1 1 11 6  37 o 98.405  1.6609 97.106   2.3093  100.810 2.2907 95.999  2.4055 4.810783       3.321746 
1 1 1 11 6  39 f 28.540  4.8984 8.8105   1.9813  25.145  7.7399 31.934  6.0059 -6.788677      9.796779 
1 1 1 11 6  41 o 52.777  3.0137 28.067   2.2382  55.459  4.3722 50.095  4.1489 5.364262       6.027363 
1 1 1 11 6  43 o 21.391  5.4473 4.2223   2.1221  20.635  7.9306 22.146  7.4697 -1.510677      10.89455 
1 1 1 11 6  45 o 27.171  5.7603 8.3519   2.5725  22.756  9.1876 31.586  6.9507 -8.830324      11.52065 
1 1 1 11 6  47 o 18.109  5.5558 1.3163   2.4940  20.605  8.7297 15.614  6.8745 4.991415       11.11157 
1 1 1 11 6  49 o 21.468  6.7208 3.7054   3.5269  22.935  10.797 20.001  8.0057 2.933891       13.44155 
1 1 1 11 7  0  o 253.441 2.5975 642.560  13.163  253.441 2.5975 ?       ?      0.000000       0.000000 
1 1 1 11 7  2  o 461.289 2.8581 2123.04  18.569  472.177 4.2060 450.402 3.8710 21.77509       5.716249 
1 1 1 11 7  4  o 863.486 4.9971 7460.41  61.016  867.271 7.1094 859.701 7.0243 7.570068       9.994244 
1 1 1 11 7  6  o 965.533 5.5769 9329.42  76.149  969.671 7.8531 961.396 7.9207 8.275391       11.15381 
1 1 1 11 7  8  o 974.574 5.8013 9503.82  77.517  974.909 9.2854 974.238 6.9570 0.6715698      11.60252 
1 1 1 11 7  10 o 675.068 4.0737 4552.19  37.970  679.043 6.4275 671.094 5.0068 7.949707       8.147443 
1 1 1 11 7  12 o 534.959 3.3776 2869.03  24.953  530.191 5.3465 539.728 4.1289 -9.536682      6.755179 
1 1 1 11 7  14 o 476.786 3.0762 2278.76  20.173  473.055 4.9061 480.517 3.7125 -7.462738      6.152419 
1 1 1 11 7  16 f 455.763 2.8850 2068.98  18.076  462.875 4.5774 448.651 3.5130 14.22336       5.770071 
1 1 1 11 7  18 o 532.298 3.3183 2833.64  24.397  533.643 5.2362 530.953 4.0775 2.689270       6.636522 
1 1 1 11 7  20 o 350.446 2.6268 1228.74  13.017  351.654 3.7432 349.237 3.6864 2.417297       5.253645 
1 1 1 11 7  22 o 268.428 1.9807 720.575  7.2109  268.146 2.3037 268.711 3.2227 -0.5648804     3.961467 
1 1 1 11 7  24 f 97.838  1.4099 94.738   1.8612  94.953  1.6416 100.724 2.2927 -5.771782      2.819816 
1 1 1 11 7  26 f 132.412 1.3486 175.426  2.4845  132.548 1.6987 132.277 2.0950 0.2709198      2.697104 
1 1 1 11 7  28 o 15.101  4.0413 1.5010   1.2124  16.628  5.8537 13.574  5.5733 3.054571       8.082585 
1 1 1 11 7  30 o 351.133 2.3890 1239.38  11.605  356.450 2.9316 345.815 3.7730 10.63535       4.778008 
1 1 1 11 7  32 f 142.605 1.4688 204.332  2.9342  146.499 1.8916 138.712 2.2475 7.786514       2.937573 
1 1 1 11 7  34 o 28.712  3.8982 8.3648   1.5395  33.511  5.1683 23.913  5.8372 9.598459       7.796436 
1 1 1 11 7  36 o 28.620  4.4423 8.5425   1.7490  32.229  6.1323 25.010  6.4290 7.219116       8.884650 
1 1 1 11 7  38 o 53.087  2.6154 28.272   1.9476  54.468  3.9218 51.707  3.4612 2.760700       5.230707 
1 1 1 11 7  40 o 19.262  5.0069 3.0747   1.7227  20.943  7.7292 17.581  6.3669 3.361807       10.01386 
1 1 1 11 7  42 o 24.786  5.6844 6.2292   2.1748  28.028  8.8529 21.544  7.1326 6.484720       11.36873 
1 1 1 11 7  44 o 15.978  4.8974 -0.2214  2.0404  15.831  7.1932 16.126  6.6480 -0.2952108     9.794817 
1 1 1 11 7  46 o 20.308  5.5640 3.8293   2.2362  21.693  8.3960 18.922  7.3033 2.770441       11.12794 
1 1 1 11 7  48 f 16.811  5.2096 -0.5639  2.4489  21.164  8.5222 12.457  5.9942 8.707162       10.41914 
1 1 1 11 8  1  o 175.272 1.4089 306.585  3.4811  179.126 2.0627 171.419 1.9197 7.706680       2.817820 
1 1 1 11 8  3  o 260.896 1.7910 676.595  6.5437  270.531 2.6889 251.261 2.3666 19.27007       3.582051 
1 1 1 11 8  5  o 582.893 3.5435 3394.64  29.157  592.483 5.1449 573.303 4.8739 19.18073       7.086979 
1 1 1 11 8  7  o 389.569 2.4155 1517.84  13.307  389.651 3.3930 389.487 3.4389 0.1636658      4.830934 
1 1 1 11 8  9  o 411.993 2.9106 1699.49  16.692  409.910 4.5210 414.075 3.6669 -4.165405      5.821120 
1 1 1 11 8  11 o 232.721 1.6722 540.869  5.3444  233.884 2.6659 231.557 2.0195 2.326797       3.344456 
1 1 1 11 8  13 o 257.776 1.8251 661.020  6.4559  262.553 2.9025 252.998 2.2135 9.554276       3.650219 
1 1 1 11 8  15 o 440.712 2.7850 1949.13  17.097  433.506 4.3282 447.918 3.5058 -14.41193      5.569924 
1 1 1 11 8  17 o 725.961 4.3047 5278.43  43.103  724.661 6.8196 727.262 5.2552 -2.601379      8.609494 
1 1 1 11 8  19 o 312.132 2.3612 966.304  9.8976  319.282 3.8695 304.983 2.7069 14.29935       4.722375 
1 1 1 11 8  21 f 740.180 4.4732 5485.51  45.532  742.138 7.1180 738.221 5.4196 3.917419       8.946346 
1 1 1 11 8  23 o 275.318 1.9204 757.756  7.4628  278.436 2.7992 272.199 2.6300 6.236877       3.840843 
1 1 1 11 8  25 o 95.398  1.5074 91.037   1.9942  95.424  2.3595 95.372  1.8765 0.5198669E-01  3.014768 
1 1 1 11 8  27 o 27.960  2.5114 7.8991   0.9781  29.408  3.1410 26.512  3.9196 2.896105       5.022887 
1 1 1 11 8  29 o 155.104 1.3742 241.459  3.0010  161.284 1.8256 148.923 2.0546 12.36101       2.748486 
1 1 1 11 8  31 o 87.839  1.5974 75.867   1.8542  91.435  2.6519 84.243  1.7818 7.191879       3.194882 
1 1 1 11 8  33 o 135.052 1.3696 183.085  2.5774  137.052 1.7271 133.053 2.1261 3.998566       2.739220 
1 1 1 11 8  35 o 100.184 1.4268 100.512  2.0206  101.884 1.9833 98.484  2.0517 3.399963       2.853593 
1 1 1 11 8  37 o 60.965  1.8873 37.147   1.5835  61.789  2.9899 60.140  2.3039 1.648979       3.774567 
1 1 1 11 8  39 o 75.527  1.9040 57.089   1.9794  76.585  3.0153 74.470  2.3257 2.115486       3.808050 
1 1 1 11 8  41 o 56.474  2.5815 32.740   1.9211  54.171  4.3695 58.777  2.7502 -4.605778      5.162980 
1 1 1 11 8  43 o 16.776  4.9209 1.1684   1.8371  17.613  7.5392 15.938  6.3261 1.674990       9.841708 
1 1 1 11 8  45 o 20.798  5.3293 4.2491   1.9398  22.808  8.2532 18.788  6.7446 4.019703       10.65851 
1 1 1 11 8  47 o 25.584  5.1396 7.3180   2.0799  33.513  7.5835 17.655  6.9390 15.85843       10.27912 
1 1 1 11 8  49 o 16.156  5.2102 0.3344   2.3040  19.386  8.5509 12.926  5.9553 6.460685       10.42034 
1 1 1 11 9  0  o 574.490 5.0054 3301.59  57.501  574.490 5.0054 ?       ?      0.000000       0.000000 
1 1 1 11 9  2  o 736.424 4.3404 5425.19  45.202  733.094 6.1190 739.753 6.1576 -6.658997      8.680883 
1 1 1 11 9  4  o 480.839 2.9841 2311.96  20.286  476.693 4.1783 484.985 4.2616 -8.292969      5.968204 
1 1 1 11 9  6  o 404.567 2.5628 1636.17  14.653  409.324 3.6812 399.809 3.5667 9.514648       5.125672 
1 1 1 11 9  8  o 773.401 4.5846 5984.85  50.134  773.566 6.4108 773.236 6.5554 0.3303833      9.169106 
1 1 1 11 9  10 o 507.073 3.1319 2571.04  22.440  503.411 4.3350 510.735 4.5215 -7.324158      6.263873 
1 1 1 11 9  12 o 397.780 2.6447 1580.15  14.450  400.037 4.2141 395.522 3.1966 4.515015       5.289310 
1 1 1 11 9  14 o 495.573 3.0658 2457.43  20.943  495.237 4.8612 495.911 3.7370 -0.6740723     6.131568 
1 1 1 11 9  16 o 510.897 3.3017 2609.45  22.996  512.343 5.3299 509.450 3.8983 2.892548       6.603379 
1 1 1 11 9  18 o 182.639 1.6675 328.258  4.0725  190.170 2.7322 175.109 1.9122 15.06108       3.334936 
1 1 1 11 9  20 o 82.558  2.0712 68.644   2.3955  76.719  3.1606 88.398  2.6777 -11.67898      4.142374 
1 1 1 11 9  22 o 112.833 1.5244 127.660  2.4234  109.353 2.2702 116.313 2.0350 -6.960266      3.048782 
1 1 1 11 9  24 o 143.365 1.4661 205.005  2.9595  147.227 2.1567 139.502 1.9865 7.724716       2.932143 
1 1 1 11 9  26 o 60.379  3.1623 37.685   2.3815  63.807  2.9858 56.950  5.5755 6.856426       6.324679 
1 1 1 11 9  28 o 26.223  5.6543 6.7076   2.1925  27.819  5.9825 24.626  9.5967 3.192556       11.30870 
1 1 1 11 9  30 o 75.005  2.6960 56.581   2.7865  75.989  3.2669 74.021  4.2897 1.968529       5.392065 
1 1 1 11 9  32 o 153.385 2.0569 236.338  4.3484  154.892 2.4973 151.878 3.2691 3.013428       4.113766 
1 1 1 11 9  34 o 63.917  3.4152 41.633   2.9121  66.108  3.7552 61.725  5.7054 4.382931       6.830317 
1 1 1 11 9  36 o 24.325  6.9546 2.8490   3.7217  22.743  9.5219 25.907  10.139 -3.164150      13.90912 
1 1 1 11 9  38 o 19.269  5.5177 1.9111   1.6594  13.639  5.4096 24.900  9.6186 -11.26134      11.03543 
1 1 1 11 9  40 o 55.105  3.4983 31.259   2.1500  56.301  2.7687 53.910  6.4254 2.390533       6.996507 
1 1 1 11 9  42 o 44.628  4.3292 19.783   2.3863  41.632  4.2989 47.624  7.5159 -5.992420      8.658488 
1 1 1 11 9  44 o 16.532  5.2750 -2.6187  2.5895  16.606  6.9179 16.459  7.9652 0.1469402      10.54998 
1 1 1 11 9  46 o 16.850  5.5092 -1.3229  2.7316  14.826  6.6729 18.875  8.7678 -4.049053      11.01832 
1 1 1 11 9  48 o 24.597  6.9712 7.6180   3.2706  22.053  8.2156 27.140  11.265 -5.086582      13.94250 
1 1 1 11 10 1  o 284.365 1.9751 809.023  7.9356  286.792 2.7176 281.939 2.8668 4.853210       3.950150 
1 1 1 11 10 3  o 566.200 3.3777 3205.73  27.039  558.178 4.7578 574.222 4.7958 -16.04340      6.755424 
1 1 1 11 10 5  o 308.487 2.1307 951.174  9.2892  300.048 3.0208 316.926 3.0057 -16.87878      4.261417 
1 1 1 11 10 7  o 559.784 3.3890 3135.58  26.811  554.846 4.9008 564.721 4.6822 -9.874817      6.777971 
1 1 1 11 10 9  o 640.791 3.7715 4107.88  34.178  640.944 5.3324 640.637 5.3349 0.3063354      7.542920 
1 1 1 11 10 11 o 437.230 2.8337 1912.16  17.521  434.135 4.0028 440.325 4.0121 -6.190491      5.667339 
1 1 1 11 10 13 o 554.778 3.4896 3089.40  26.648  548.015 5.5624 561.540 4.2152 -13.52454      6.979128 
1 1 1 11 10 15 o 358.713 2.8245 1276.71  12.758  364.026 4.9006 353.400 2.8098 10.62628       5.648945 
1 1 1 11 10 17 f 143.117 1.6212 203.783  3.0146  144.703 2.7529 141.530 1.7132 3.173141       3.242471 
1 1 1 11 10 19 o 257.588 2.1874 663.833  7.9666  261.499 3.0688 253.678 3.1179 7.820251       4.374743 
1 1 1 11 10 21 o 153.530 1.6576 233.251  3.4667  158.691 2.6558 148.369 1.9845 10.32173       3.315295 
1 1 1 11 10 23 o 129.242 1.9370 169.674  3.2408  133.412 1.9906 125.071 3.3235 8.341194       3.874018 
1 1 1 11 10 25 o 187.057 2.3818 350.069  6.2669  185.792 3.1695 188.323 3.5561 -2.530441      4.763576 
1 1 1 11 10 27 o 229.587 2.2888 525.534  6.9826  227.188 2.5412 231.986 3.8076 -4.798416      4.577682 
1 1 1 11 10 29 f 285.558 2.6934 815.051  10.230  283.755 2.9908 287.361 4.4802 -3.605927      5.386763 
1 1 1 11 10 31 o 73.263  2.5627 54.262   2.6240  77.919  3.2601 68.607  3.9550 9.311752       5.125465 
1 1 1 11 10 33 o 17.966  5.6749 -3.5557  3.0819  20.128  8.5036 15.804  7.5173 4.324827       11.34989 
1 1 1 11 10 35 o 84.060  3.3914 71.394   3.7348  84.617  3.6161 83.504  5.7384 1.112923       6.782704 
1 1 1 11 10 37 o 34.980  5.9377 12.772   2.7894  31.515  7.4383 38.445  9.2573 -6.930054      11.87547 
1 1 1 11 10 39 o 38.523  5.9763 15.859   3.0895  39.820  6.5242 37.226  10.015 2.593922       11.95256 
1 1 1 11 10 41 o 63.515  3.8381 41.493   3.3941  62.778  4.8740 64.252  5.9303 -1.474377      7.676219 
1 1 1 11 10 43 o 37.178  6.9056 16.089   3.5650  36.266  8.4304 38.090  10.940 -1.823975      13.81123 
1 1 1 11 10 45 o 32.574  5.7725 11.115   3.7707  46.711  7.6628 18.438  8.6352 28.27357       11.54491 
1 1 1 11 10 47 o 39.123  7.0243 21.569   3.8796  38.541  9.4880 39.704  10.361 -1.163200      14.04862 
1 1 1 11 11 0  o 792.155 6.5238 6278.16  103.341 792.155 6.5238 ?       ?      0.000000       0.000000 
1 1 1 11 11 2  o 811.151 4.7403 6579.80  54.342  822.764 6.7923 799.539 6.6142 23.22516       9.480659 
1 1 1 11 11 4  f 735.238 4.4058 5408.68  45.810  736.365 6.2094 734.110 6.2521 2.255127       8.811662 
1 1 1 11 11 6  o 227.347 1.6867 512.488  5.3525  237.655 2.5507 217.040 2.2078 20.61542       3.373494 
1 1 1 11 11 8  o 119.241 1.3011 142.163  2.1923  119.749 1.8802 118.733 1.7991 1.016388       2.602296 
1 1 1 11 11 10 o 482.087 3.0103 2324.86  20.523  479.304 4.2519 484.870 4.2626 -5.566010      6.020672 
1 1 1 11 11 12 o 426.067 2.5959 1813.52  15.620  416.492 3.6040 435.641 3.7371 -19.14856      5.191823 
1 1 1 11 11 14 o 743.023 5.4220 5525.95  53.505  744.527 9.0414 741.519 5.9872 3.007874       10.84407 
1 1 1 11 11 16 o 164.364 1.4666 271.804  3.3574  159.111 2.2859 169.617 1.8380 -10.50648      2.933192 
1 1 1 11 11 18 o 158.918 1.9961 248.573  4.3176  166.808 3.1841 151.028 2.4083 15.78000       3.992287 
1 1 1 11 11 20 o 312.786 2.3894 976.980  10.339  315.490 3.7514 310.083 2.9603 5.406555       4.778713 
1 1 1 11 11 22 o 77.741  2.0218 60.338   2.2133  76.111  2.7307 79.371  2.9822 -3.260857      4.043558 
1 1 1 11 11 24 o 55.607  3.3523 30.829   2.4940  54.854  3.7889 56.360  5.5315 -1.505478      6.704690 
1 1 1 11 11 26 o 236.561 2.4586 560.772  7.7175  236.949 2.7045 236.174 4.1067 0.7756042      4.917274 
1 1 1 11 11 28 o 67.798  2.3505 46.070   2.2516  66.095  3.4066 69.501  3.2396 -3.406136      4.701035 
1 1 1 11 11 30 o 137.617 2.3491 192.293  4.4070  143.943 2.7273 131.290 3.8257 12.65335       4.698297 
1 1 1 11 11 32 o 201.682 2.2507 409.573  6.3573  207.398 2.8950 195.967 3.4468 11.43062       4.501308 
1 1 1 11 11 34 o 55.630  3.9421 30.592   2.9460  52.579  4.6117 58.682  6.3948 -6.102844      7.884235 
1 1 1 11 11 36 o 86.069  2.5235 73.098   2.9280  81.518  2.9745 90.621  4.0773 -9.103233      5.046965 
1 1 1 11 11 38 o 53.252  4.2298 28.806   3.0296  52.348  4.8525 54.155  6.9294 -1.806610      8.459505 
1 1 1 11 11 40 o 38.693  6.3205 16.136   3.3084  34.651  8.2676 42.734  9.5624 -8.083294      12.64092 
1 1 1 11 11 42 o 50.170  4.2772 26.557   3.0021  45.913  6.5387 54.428  5.5157 -8.515381      8.554362 
1 1 1 11 11 44 o 30.091  6.6489 10.288   3.6843  37.156  8.6917 23.026  10.064 14.12928       13.29783 
1 1 1 11 11 46 o 25.321  7.0362 7.8981   3.6859  25.585  9.6300 25.057  10.261 0.5271873      14.07234 
1 1 1 11 11 48 o 17.877  5.8654 -3.0087  3.9415  20.371  8.8857 15.383  7.6589 4.987573       11.73088 
1 1 1 11 12 1  o 82.594  1.4871 68.355   1.7320  78.960  2.1935 86.229  2.0086 -7.269440      2.974172 
1 1 1 11 12 3  o 472.523 3.0361 2229.26  20.237  461.943 4.1617 483.102 4.4216 -21.15955      6.072132 
1 1 1 11 12 5  o 85.856  1.5232 73.670   1.8456  81.620  2.1927 90.092  2.1147 -8.472244      3.046308 
1 1 1 11 12 7  o 532.616 3.2465 2836.41  24.417  528.088 4.4604 537.144 4.7184 -9.056396      6.492931 
1 1 1 11 12 9  o 243.774 1.7334 594.380  5.9752  242.649 2.4744 244.899 2.4281 -2.250168      3.466771 
1 1 1 11 12 11 o 258.055 1.8034 665.823  6.5795  253.558 2.5501 262.551 2.5507 -8.992096      3.606835 
1 1 1 11 12 13 o 650.986 4.1287 4245.52  37.816  647.621 6.1778 654.351 5.4790 -6.729919      8.257361 
1 1 1 11 12 15 o 554.824 3.4769 3080.93  27.267  553.212 4.8318 556.437 5.0009 -3.225037      6.953810 
1 1 1 11 12 17 o 243.493 2.4314 592.282  8.1687  244.992 3.8411 241.994 2.9821 2.998077       4.862814 
1 1 1 11 12 19 o 485.333 3.2945 2356.98  22.116  486.744 5.1832 483.922 4.0682 2.821991       6.589060 
1 1 1 11 12 21 o 219.925 1.9672 484.178  5.9541  219.552 3.1292 220.297 2.3848 -0.7445679     3.934325 
1 1 1 11 12 23 o 136.144 1.9884 186.587  3.6451  138.409 2.2524 133.878 3.2773 4.530914       3.976722 
1 1 1 11 12 25 o 140.218 2.2434 196.729  4.4334  139.280 3.0259 141.156 3.3129 -1.875687      4.486771 
1 1 1 11 12 27 o 74.995  3.0569 58.649   2.6680  79.362  2.5461 70.628  5.5584 8.733932       6.113802 
1 1 1 11 12 29 o 68.762  2.7909 47.399   2.7122  66.835  3.9735 70.689  3.9202 -3.853683      5.581814 
1 1 1 11 12 31 o 109.924 2.6283 120.129  3.8796  107.219 3.0153 112.629 4.3057 -5.410637      5.256575 
1 1 1 11 12 33 o 104.239 2.1306 109.076  3.0791  104.850 2.6430 103.629 3.3426 1.221725       4.261282 
1 1 1 11 12 35 o 15.452  5.1245 -4.3852  2.5365  13.069  6.1262 17.835  8.2165 -4.765267      10.24897 
1 1 1 11 12 37 o 26.630  6.8188 6.4018   3.1366  24.793  8.4975 28.467  10.667 -3.674755      13.63754 
1 1 1 11 12 39 o 20.322  6.1428 0.4735   3.0868  19.786  8.2503 20.857  9.1031 -1.070477      12.28552 
1 1 1 11 12 41 o 27.499  6.9501 6.6630   3.5785  20.751  8.8019 34.246  10.758 -13.49503      13.90023 
1 1 1 11 12 43 o 24.746  6.9449 5.3848   3.6430  25.407  9.4141 24.086  10.213 1.320602       13.88971 
1 1 1 11 12 45 o 24.966  7.8374 5.4849   4.3749  19.273  8.4530 30.659  13.200 -11.38555      15.67472 
1 1 1 11 12 47 o 19.330  6.3232 -1.0174  4.1228  21.629  9.6560 17.031  8.1665 4.597656       12.64637 
1 1 1 11 13 0  o 615.377 5.3109 3788.74  65.353  615.377 5.3109 ?       ?      0.000000       0.000000 
1 1 1 11 13 2  o 315.325 2.0843 993.853  9.2892  322.748 2.9515 307.902 2.9438 14.84586       4.168584 
1 1 1 11 13 4  o 587.972 3.5305 3458.53  29.353  593.222 5.0022 582.722 4.9834 10.49945       7.060926 
1 1 1 11 13 6  o 617.253 3.6471 3810.34  31.817  608.751 5.0928 625.754 5.2219 -17.00250      7.294164 
1 1 1 11 13 8  o 711.011 4.1999 5059.47  42.230  706.265 5.9427 715.757 5.9365 -9.492676      8.399886 
1 1 1 11 13 10 o 152.800 1.3787 233.837  2.9707  155.634 1.8547 149.966 2.0403 5.668396       2.757360 
1 1 1 11 13 12 o 379.739 2.5417 1440.68  13.632  369.606 3.5457 389.872 3.6428 -20.26569      5.083500 
1 1 1 11 13 14 o 402.090 2.7341 1618.74  15.516  398.507 4.0129 405.672 3.7144 -7.165161      5.468105 
1 1 1 11 13 16 o 63.927  1.7034 41.669   1.4988  70.701  2.0414 57.153  2.7274 13.54793       3.406775 
1 1 1 11 13 18 o 290.009 2.1958 840.566  8.8993  291.943 3.3618 288.075 2.8257 3.868011       4.391623 
1 1 1 11 13 20 o 133.752 1.6377 181.271  2.7981  130.372 2.8341 137.132 1.6419 -6.759445      3.275346 
1 1 1 11 13 22 o 196.677 2.2143 386.804  5.9418  196.047 2.6209 197.308 3.5697 -1.260895      4.428542 
1 1 1 11 13 24 o 199.466 2.3657 399.435  6.5185  201.554 2.8930 197.379 3.7439 4.174881       4.731440 
1 1 1 11 13 26 o 223.711 2.7737 501.417  8.7719  228.139 3.9224 219.282 3.9229 8.857239       5.547420 
1 1 1 11 13 28 o 63.434  3.2659 41.117   2.7334  66.252  3.4856 60.615  5.5241 5.637093       6.531885 
1 1 1 11 13 30 o 221.125 2.4555 492.100  7.5577  224.894 3.0805 217.356 3.8248 7.537415       4.911073 
1 1 1 11 13 32 o 198.491 2.4339 396.113  6.3680  199.598 2.6321 197.384 4.0948 2.213333       4.867803 
1 1 1 11 13 34 f 102.591 2.6453 106.300  3.7019  104.082 3.1062 101.099 4.2828 2.982719       5.290675 
1 1 1 11 13 36 o 131.478 2.4993 171.988  4.3673  127.608 2.8050 135.348 4.1375 -7.740318      4.998693 
1 1 1 11 13 38 o 22.405  6.3506 2.2071   3.2044  24.393  8.9058 20.417  9.0557 3.976591       12.70111 
1 1 1 11 13 40 o 47.735  4.6971 23.319   3.0703  44.439  5.8461 51.032  7.3534 -6.593258      9.394144 
1 1 1 11 13 42 o 21.323  6.6945 -0.2653  3.9618  20.762  8.9687 21.885  9.9413 -1.123318      13.38910 
1 1 1 11 13 44 o 25.342  7.3549 7.1501   4.1354  23.886  9.7044 26.799  11.055 -2.913557      14.70987 
1 1 1 11 13 46 o 30.610  8.8624 15.496   5.0453  25.659  9.8708 35.561  14.722 -9.901817      17.72485 
1 1 1 11 14 1  o 558.188 3.3535 3117.14  26.461  556.818 4.6657 559.558 4.8183 -2.740051      6.707054 
1 1 1 11 14 3  o 290.111 1.9700 840.727  8.0722  279.665 2.7869 300.557 2.7852 -20.89127      3.940055 
1 1 1 11 14 5  o 343.499 2.3486 1178.03  11.349  348.770 3.4927 338.228 3.1407 10.54227       4.697133 
1 1 1 11 14 7  o 254.088 1.8074 644.842  6.4794  249.796 2.4730 258.380 2.6366 -8.584152      3.614845 
1 1 1 11 14 9  o 213.257 1.5983 454.616  4.8163  215.719 2.3016 210.794 2.2184 4.924667       3.196676 
1 1 1 11 14 11 f 354.749 2.4445 1253.20  12.082  362.851 3.7549 346.647 3.1310 16.20422       4.889067 
1 1 1 11 14 13 f 206.071 1.7054 425.094  4.9643  209.910 2.3378 202.232 2.4836 7.677551       3.410822 
1 1 1 11 14 15 o 439.746 3.0215 1936.62  18.728  442.186 4.0604 437.305 4.4754 4.881287       6.042901 
1 1 1 11 14 17 o 454.738 3.1822 2069.14  20.266  452.683 4.1321 456.794 4.8406 -4.111877      6.364381 
1 1 1 11 14 19 o 304.281 2.2101 924.826  9.2605  306.440 3.5042 302.123 2.6944 4.316742       4.420278 
1 1 1 11 14 21 o 75.385  2.1522 53.596   2.0141  82.828  3.6942 67.943  2.2093 14.88474       4.304402 
1 1 1 11 14 23 o 150.479 2.0422 224.029  4.1149  145.946 2.3339 155.012 3.3519 -9.066711      4.084413 
1 1 1 11 14 25 o 126.738 2.3985 158.147  3.6432  123.505 2.1970 129.972 4.2642 -6.467201      4.796931 
1 1 1 11 14 27 o 100.214 2.6393 100.898  3.3568  100.680 2.6377 99.748  4.5724 0.9318085      5.278660 
1 1 1 11 14 29 o 30.398  6.6931 8.0825   3.1698  21.405  8.2986 39.391  10.503 -17.98592      13.38616 
1 1 1 11 14 31 o 28.052  6.7023 7.0163   3.0666  22.611  8.4118 33.494  10.437 -10.88358      13.40466 
1 1 1 11 14 33 o 21.004  6.0598 1.0625   2.8580  21.696  7.8504 20.313  9.2334 1.382500       12.11959 
1 1 1 11 14 35 o 114.391 2.7314 131.431  4.0358  113.660 2.8444 115.121 4.6639 -1.460464      5.462844 
1 1 1 11 14 37 o 61.812  4.1081 39.334   3.3666  63.356  4.4651 60.268  6.8971 3.088024       8.216284 
1 1 1 11 14 39 o 28.342  7.2976 7.2118   3.6028  22.033  8.7641 34.651  11.671 -12.61754      14.59519 
1 1 1 11 14 41 o 16.747  5.6686 -8.1447  3.6807  14.873  7.1851 18.621  8.7696 -3.748127      11.33717 
1 1 1 11 14 43 o 28.363  6.6178 8.4812   3.7775  35.225  8.8535 21.501  9.8385 13.72387       13.23560 
1 1 1 11 14 45 o 16.365  5.5698 -6.6869  3.7417  16.045  7.5113 16.685  8.2264 -0.6404114     11.13970 
1 1 1 11 14 47 o 30.092  7.2990 13.648   3.5115  23.699  8.7920 36.485  11.653 -12.78600      14.59800 
1 1 1 11 15 0  o 156.806 2.2838 246.055  7.1588  156.806 2.2838 ?       ?      0.000000       0.000000 
1 1 1 11 15 2  o 363.695 2.4066 1317.44  12.301  375.868 3.5635 351.522 3.2354 24.34641       4.813137 
1 1 1 11 15 4  o 200.721 1.7353 403.143  4.8740  200.200 2.6530 201.242 2.2377 -1.041855      3.470690 
1 1 1 11 15 6  o 269.871 2.0336 730.203  7.7254  263.535 3.0451 276.206 2.6963 -12.67065      4.067263 
1 1 1 11 15 8  o 348.605 2.4620 1217.19  12.037  351.291 3.2047 345.919 3.7385 5.371887       4.924037 
1 1 1 11 15 10 o 173.099 1.8037 300.629  4.3603  176.121 2.2946 170.077 2.7835 6.044067       3.607342 
1 1 1 11 15 12 o 315.181 2.3794 992.698  10.545  312.079 3.1634 318.283 3.5552 -6.204315      4.758801 
1 1 1 11 15 14 o 130.749 1.5466 171.042  2.8551  130.262 2.2603 131.236 2.1116 -0.9736176     3.093190 
1 1 1 11 15 16 o 100.298 1.8089 95.354   2.2450  109.175 3.1199 91.420  1.8314 17.75529       3.617720 
1 1 1 11 15 18 o 133.983 1.4782 179.417  2.7973  139.044 2.0760 128.921 2.1047 10.12296       2.956303 
1 1 1 11 15 20 o 229.505 2.0008 525.777  6.1149  231.000 3.3240 228.010 2.2282 2.990036       4.001694 
1 1 1 11 15 22 o 243.279 1.9213 592.294  6.6092  245.696 2.7257 240.861 2.7085 4.835251       3.842590 
1 1 1 11 15 24 o 21.920  6.1352 2.4331   2.5831  17.322  7.1646 26.518  9.9614 -9.195614      12.27030 
1 1 1 11 15 26 o 137.255 2.1627 188.036  3.9581  136.060 2.4186 138.450 3.5861 -2.390091      4.325478 
1 1 1 11 15 28 o 53.302  4.0889 28.060   2.9913  49.429  5.1392 57.176  6.3613 -7.747089      8.177870 
1 1 1 11 15 30 o 110.983 2.5358 121.720  3.8823  104.416 3.2069 117.551 3.9290 -13.13523      5.071600 
1 1 1 11 15 32 o 29.551  6.9311 8.3475   3.1431  29.004  7.9343 30.098  11.367 -1.094442      13.86221 
1 1 1 11 15 34 o 72.082  3.7668 52.569   3.6437  71.567  4.2754 72.597  6.2029 -1.029732      7.533608 
1 1 1 11 15 36 o 58.699  4.4305 37.265   3.1245  64.618  3.8418 52.780  7.9849 11.83757       8.861065 
1 1 1 11 15 38 o 41.745  6.2541 19.096   3.5040  39.807  7.9680 43.683  9.6419 -3.875946      12.50826 
1 1 1 11 15 40 o 23.807  6.4713 2.8210   3.5415  28.508  9.4138 19.105  8.8821 9.403721       12.94258 
1 1 1 11 15 42 f 30.647  7.3276 11.271   3.9996  34.332  9.4569 26.961  11.196 7.371542       14.65530 
1 1 1 11 15 44 f 27.121  7.3207 9.5310   4.0803  29.528  10.005 24.715  10.689 4.812384       14.64133 
1 1 1 11 15 46 o 19.771  6.5994 0.7368   4.6736  20.635  9.8793 18.907  8.7525 1.728209       13.19877 
1 1 1 11 16 1  o 293.104 2.3122 859.454  9.5832  296.560 3.2510 289.648 3.2888 6.912140       4.624421 
1 1 1 11 16 3  o 160.622 1.7153 257.811  3.8916  163.226 2.4759 158.017 2.3748 5.209000       3.430682 
1 1 1 11 16 5  o 133.819 1.5252 178.463  2.8762  141.648 2.1602 125.990 2.1537 15.65765       3.050344 
1 1 1 11 16 7  o 215.225 2.1146 462.053  6.0548  216.752 3.5159 213.699 2.3504 3.052734       4.229118 
1 1 1 11 16 9  o 428.832 2.9767 1840.39  17.843  428.715 3.8244 428.949 4.5626 -0.2333984     5.953465 
1 1 1 11 16 11 o 289.160 2.0409 836.727  8.3398  291.019 2.8170 287.301 2.9539 3.718048       4.081803 
1 1 1 11 16 13 o 120.477 1.3780 144.882  2.3093  119.306 1.7420 121.648 2.1356 -2.341583      2.756016 
1 1 1 11 16 15 o 152.066 1.4377 231.452  3.0863  153.454 1.9563 150.679 2.1073 2.774124       2.875418 
1 1 1 11 16 17 o 249.924 1.8948 625.010  6.6969  249.277 2.6866 250.570 2.6727 -1.293579      3.789562 
1 1 1 11 16 19 o 174.876 1.6223 305.872  4.0105  171.907 2.2837 177.845 2.3048 -5.937653      3.244580 
1 1 1 11 16 21 o 379.656 2.6738 1442.46  13.952  381.007 4.2579 378.305 3.2353 2.701721       5.347568 
1 1 1 11 16 23 o 114.979 2.2987 136.893  3.3362  122.472 2.2155 107.486 4.0284 14.98626       4.597420 
1 1 1 11 16 25 o 80.466  2.9296 64.084   3.2089  77.176  3.5159 83.757  4.6871 -6.581161      5.859251 
1 1 1 11 16 27 o 105.807 2.5258 111.501  3.5606  103.966 2.8320 107.648 4.1832 -3.682045      5.051692 
1 1 1 11 16 29 o 150.145 2.4516 224.943  4.8613  148.274 2.6866 152.015 4.1016 -3.741241      4.903167 
1 1 1 11 16 31 o 70.934  3.5079 51.635   3.3084  74.250  3.8099 67.618  5.8912 6.632217       7.015863 
1 1 1 11 16 33 o 109.550 2.6338 121.290  3.8195  110.600 2.8709 108.499 4.4164 2.100914       5.267549 
1 1 1 11 16 35 o 27.974  7.1024 6.9048   3.4639  23.109  8.8709 32.840  11.094 -9.730658      14.20473 
1 1 1 11 16 37 o 37.963  6.7864 15.817   3.6003  34.012  9.1388 41.915  10.035 -7.902981      13.57285 
1 1 1 11 16 39 o 21.203  6.5153 0.5918   3.4639  20.086  8.3540 22.320  10.000 -2.234274      13.03054 
1 1 1 11 16 41 o 21.223  6.5461 1.0277   3.6208  20.813  8.6783 21.633  9.8027 -0.8195171     13.09217 
1 1 1 11 16 43 o 26.956  6.4138 6.5463   3.9158  35.955  9.4929 17.956  8.6274 17.99975       12.82758 
1 1 1 11 16 45 o 23.169  7.0118 5.6531   4.2962  26.252  10.493 20.085  9.3039 6.166767       14.02356 
1 1 1 11 17 0  o 402.350 3.6740 1619.74  29.559  402.350 3.6740 ?       ?      0.000000       0.000000 
1 1 1 11 17 2  o 47.339  2.8347 23.432   1.7823  39.898  4.7751 54.780  3.0563 -14.88243      5.669473 
1 1 1 11 17 4  o 383.196 2.4872 1466.23  13.435  391.522 3.6422 374.869 3.3881 16.65289       4.974419 
1 1 1 11 17 6  o 197.417 1.8093 386.705  4.9788  205.422 2.7542 189.412 2.3469 16.01048       3.618543 
1 1 1 11 17 8  o 61.784  2.5359 38.519   2.0999  60.376  4.2074 63.193  2.8321 -2.817291      5.071754 
1 1 1 11 17 10 o 327.394 2.2571 1072.59  10.449  328.470 3.1637 326.317 3.2200 2.153595       4.514104 
1 1 1 11 17 12 o 269.438 1.9927 726.316  7.5908  274.365 2.7986 264.512 2.8374 9.852905       3.985339 
1 1 1 11 17 14 o 111.877 1.4618 125.337  2.3093  115.464 2.0000 108.291 2.1325 7.172867       2.923629 
1 1 1 11 17 16 o 253.255 1.8939 641.605  6.7805  255.691 2.7095 250.820 2.6470 4.871201       3.787864 
1 1 1 11 17 18 o 212.997 1.7863 454.594  5.3592  215.580 2.3834 210.415 2.6614 5.165085       3.572656 
1 1 1 11 17 20 o 161.199 1.5963 260.026  3.6335  161.202 2.1846 161.195 2.3280 0.6912231E-02  3.192507 
1 1 1 11 17 22 f 154.829 1.5756 238.794  3.2878  156.784 2.5776 152.873 1.8127 3.911026       3.151179 
1 1 1 11 17 24 o 98.251  2.2518 97.485   2.9716  100.455 2.5287 96.047  3.7267 4.407822       4.503628 
1 1 1 11 17 26 o 67.932  3.2714 45.523   3.0868  59.187  4.5845 76.678  4.6681 -17.49071      6.542846 
1 1 1 11 17 28 o 236.108 3.1202 561.259  10.366  238.802 4.1341 233.414 4.6747 5.387955       6.240463 
1 1 1 11 17 30 o 45.937  5.9173 24.455   3.3254  56.104  4.9393 35.769  10.755 20.33450       11.83466 
1 1 1 11 17 32 o 113.424 2.6861 131.736  3.9996  118.004 2.8376 108.843 4.5616 9.161537       5.372159 
1 1 1 11 17 34 o 56.504  4.5481 31.394   3.3723  51.196  5.1873 61.812  7.4720 -10.61574      9.096102 
1 1 1 11 17 36 o 20.086  6.0030 -0.1625  3.1004  22.494  8.8203 17.678  8.1452 4.815304       12.00597 
1 1 1 11 17 38 o 28.429  6.9022 8.7625   3.3356  28.613  9.2325 28.245  10.263 0.3678951      13.80436 
1 1 1 11 17 40 o 21.663  6.5187 -0.0257  3.8608  25.195  9.7704 18.130  8.6322 7.064821       13.03750 
1 1 1 11 17 42 o 22.514  6.9969 3.2758   4.2577  22.274  9.4730 22.754  10.300 -0.4796982     13.99384 
1 1 1 11 17 44 o 43.233  5.8429 24.151   3.4601  54.285  6.5937 32.181  9.6479 22.10393       11.68584 
1 1 1 11 18 1  o 203.519 1.6254 413.661  4.6585  200.572 2.1876 206.465 2.4047 -5.893341      3.250888 
1 1 1 11 18 3  o 220.594 1.6643 484.905  5.1728  229.775 2.4121 211.412 2.2939 18.36337       3.328636 
1 1 1 11 18 5  f 181.615 1.5647 329.757  3.9956  182.391 2.3423 180.839 2.0751 1.550949       3.129306 
1 1 1 11 18 7  o 145.796 1.5679 212.362  3.2289  141.026 2.2106 150.566 2.2239 -9.539871      3.135708 
1 1 1 11 18 9  o 147.855 1.5744 218.637  3.2867  148.361 2.2959 147.349 2.1549 1.011612       3.148784 
1 1 1 11 18 11 o 390.426 2.5522 1526.29  14.086  394.370 3.5427 386.482 3.6747 7.888031       5.104323 
1 1 1 11 18 13 o 81.610  1.7410 67.080   1.9880  85.609  2.2254 77.611  2.6779 7.997437       3.481915 
1 1 1 11 18 15 o 226.391 1.7952 513.090  5.7442  229.962 2.4854 222.820 2.5910 7.141907       3.590328 
1 1 1 11 18 17 o 186.580 1.5865 348.349  4.1854  189.132 2.2283 184.028 2.2587 5.103806       3.172909 
1 1 1 11 18 19 o 152.276 1.6556 232.618  3.5390  155.032 2.1599 149.520 2.5098 5.511200       3.311177 
1 1 1 11 18 21 o 73.308  2.0530 55.129   2.0003  78.125  2.2169 68.490  3.4560 9.634811       4.105929 
1 1 1 11 18 23 o 323.640 2.4945 1048.73  11.349  320.997 3.3093 326.282 3.7334 -5.285309      4.988981 
1 1 1 11 18 25 o 100.612 2.7093 101.875  3.4800  101.219 2.7378 100.006 4.6760 1.212799       5.418569 
1 1 1 11 18 27 o 94.338  2.8956 89.165   3.6844  93.652  3.3288 95.023  4.7390 -1.370888      5.791282 
1 1 1 11 18 29 o 106.754 2.3931 114.936  3.5459  108.987 2.9664 104.522 3.7559 4.464561       4.786106 
1 1 1 11 18 31 o 119.892 2.5632 145.791  4.1942  123.079 3.0020 116.705 4.1554 6.374062       5.126329 
1 1 1 11 18 33 o 55.462  4.8371 29.682   3.4246  48.671  5.3378 62.253  8.0682 -13.58220      9.674111 
1 1 1 11 18 35 o 27.314  6.9790 6.9336   3.2753  24.839  8.6714 29.790  10.938 -4.951128      13.95802 
1 1 1 11 18 37 o 23.269  6.8968 2.6102   3.6625  21.457  8.8395 25.081  10.589 -3.623371      13.79361 
1 1 1 11 18 39 o 36.552  7.2877 16.190   3.8938  32.427  9.8313 40.678  10.761 -8.250751      14.57543 
1 1 1 11 18 41 o 21.695  5.9834 3.5827   3.0087  26.031  8.8754 17.358  8.0271 8.672791       11.96689 
1 1 1 11 18 43 o 18.962  6.2643 -1.9456  4.1724  19.067  8.6934 18.858  9.0218 0.2082806      12.52866 
1 1 1 11 19 0  o 509.136 4.4344 2594.49  45.147  509.136 4.4344 ?       ?      0.000000       0.000000 
1 1 1 11 19 2  o 301.810 2.1528 911.743  9.1664  300.636 3.1686 302.984 2.9153 -2.347931      4.305695 
1 1 1 11 19 4  o 187.163 1.8954 348.778  4.8139  184.465 2.2221 189.861 3.0712 -5.396805      3.790751 
1 1 1 11 19 6  o 66.262  1.8802 43.948   1.7604  66.916  2.5883 65.608  2.7279 1.308037       3.760354 
1 1 1 11 19 8  o 247.179 1.8168 611.327  6.3506  245.439 2.5874 248.919 2.5513 -3.480118      3.633685 
1 1 1 11 19 10 o 90.624  1.6258 82.320   2.0768  92.791  2.1776 88.457  2.4148 4.334213       3.251689 
1 1 1 11 19 12 o 171.726 1.5848 295.365  3.8286  173.361 2.0980 170.091 2.3759 3.269852       3.169660 
1 1 1 11 19 14 f 96.875  1.5626 94.046   2.1361  100.600 2.1234 93.151  2.2932 7.449287       3.125255 
1 1 1 11 19 16 o 97.035  1.5340 93.365   2.0879  105.032 2.1987 89.039  2.1397 15.99348       3.067966 
1 1 1 11 19 18 o 252.228 1.9421 636.755  6.9260  255.359 2.7582 249.097 2.7348 6.261948       3.884210 
1 1 1 11 19 20 f 321.005 2.3344 1032.12  10.584  320.339 3.2080 321.672 3.3921 -1.333160      4.668759 
1 1 1 11 19 22 o 118.939 1.6675 141.828  2.7122  119.563 1.9797 118.314 2.6838 1.249283       3.334952 
1 1 1 11 19 24 o 139.194 1.7647 194.356  3.4553  137.316 2.6487 141.071 2.3327 -3.755188      3.529470 
1 1 1 11 19 26 f 74.141  3.3504 53.490   3.3362  67.552  4.0168 80.730  5.3635 -13.17776      6.700855 
1 1 1 11 19 28 o 28.083  6.1993 6.5931   3.2835  34.883  7.9525 21.282  9.5123 13.60105       12.39862 
1 1 1 11 19 30 o 80.656  4.1880 69.276   4.1582  87.758  3.8156 73.555  7.4565 14.20309       8.376014 
1 1 1 11 19 32 o 42.769  6.4961 20.509   3.5864  47.845  6.0333 37.692  11.506 10.15275       12.99212 
1 1 1 11 19 34 o 24.501  6.8066 2.8173   3.4639  17.813  7.9453 31.188  11.054 -13.37488      13.61325 
1 1 1 11 19 36 o 41.326  6.5734 19.124   3.6451  40.120  8.0541 42.531  10.391 -2.410683      13.14680 
1 1 1 11 19 38 o 29.616  6.7835 9.0345   3.8806  36.244  8.6991 22.987  10.411 13.25681       13.56706 
1 1 1 11 19 40 o 19.128  6.3859 -4.6415  4.2393  15.349  7.4627 22.906  10.365 -7.557550      12.77176 
1 1 1 11 19 42 o 25.611  7.3841 8.7753   4.2953  26.706  9.9753 24.517  10.890 2.189205       14.76816 
1 1 1 11 19 44 o 19.943  6.6624 -0.5026  4.8522  18.523  8.7854 21.363  10.018 -2.840229      13.32483 
1 1 1 11 20 1  o 168.676 1.8064 284.409  4.2776  169.748 2.7209 167.604 2.3767 2.143204       3.612749 
1 1 1 11 20 3  o 219.570 1.7397 482.626  5.3978  223.803 2.3990 215.336 2.5202 8.467621       3.479456 
1 1 1 11 20 5  o 449.122 2.8632 2019.77  18.184  451.109 4.0697 447.136 4.0284 3.973053       5.726319 
1 1 1 11 20 7  o 296.261 2.1914 878.504  9.1791  301.131 3.0675 291.391 3.1304 9.740356       4.382801 
1 1 1 11 20 9  o 154.663 1.5707 239.125  3.4290  156.452 2.2879 152.875 2.1526 3.577042       3.141316 
1 1 1 11 20 11 o 182.346 1.6790 332.594  4.3268  180.545 2.3343 184.148 2.4140 -3.602493      3.358048 
1 1 1 11 20 13 o 180.516 1.6109 326.879  4.0982  187.298 2.1577 173.734 2.3926 13.56364       3.221795 
1 1 1 11 20 15 o 114.066 1.5783 130.268  2.5389  120.289 2.1598 107.842 2.3020 12.44712       3.156511 
1 1 1 11 20 17 o 110.579 1.5931 121.572  2.4342  107.745 1.9825 113.413 2.4943 -5.667747      3.186246 
1 1 1 11 20 19 o 111.471 1.6333 124.559  2.5662  113.417 2.1888 109.526 2.4247 3.891388       3.266521 
1 1 1 11 20 21 o 69.823  2.3734 50.771   2.1773  76.913  2.4770 62.732  4.0493 14.18161       4.746865 
1 1 1 11 20 23 o 67.492  2.0537 45.409   1.8612  66.538  2.3427 68.447  3.3738 -1.909225      4.107432 
1 1 1 11 20 25 o 159.530 2.1245 251.278  4.4799  153.957 2.3624 165.103 3.5317 -11.14594      4.249017 
1 1 1 11 20 27 o 77.268  3.3872 61.062   3.3532  79.584  3.4095 74.953  5.8539 4.631348       6.774433 
1 1 1 11 20 29 o 105.590 3.9028 113.517  5.8008  112.399 5.2391 98.781  5.7860 13.61877       7.805531 
1 1 1 11 20 31 o 76.141  3.4745 57.317   3.6025  69.711  4.3065 82.570  5.4537 -12.85934      6.948960 
1 1 1 11 20 33 o 51.355  5.5601 27.935   3.6135  51.992  5.6631 50.718  9.5701 1.274403       11.12010 
1 1 1 11 20 35 o 21.219  6.3444 -2.4908  3.7458  23.867  8.8774 18.571  9.0663 5.296307       12.68880 
1 1 1 11 20 37 o 27.410  7.5253 7.5036   4.0365  26.245  9.6787 28.576  11.526 -2.330420      15.05051 
1 1 1 11 20 39 o 21.307  6.6236 1.7659   3.7823  20.858  8.8221 21.756  9.8822 -0.8987064     13.24719 
1 1 1 11 20 41 o 22.248  6.8335 4.2624   4.0470  23.025  9.5732 21.470  9.7541 1.554861       13.66708 
1 1 1 11 20 43 o 18.678  6.3170 -3.0826  4.7627  20.044  9.4023 17.312  8.4388 2.731642       12.63395 
1 1 1 11 21 0  o 224.978 2.6953 506.543  12.124  224.978 2.6953 ?       ?      0.000000       0.000000 
1 1 1 11 21 2  o 180.296 1.6871 325.105  4.2962  178.986 2.3224 181.605 2.4478 -2.619003      3.374202 
1 1 1 11 21 4  o 155.066 1.5006 240.492  3.2897  157.559 2.1252 152.573 2.1190 4.986420       3.001115 
1 1 1 11 21 6  o 35.093  4.4131 12.604   2.1345  33.815  6.7266 36.371  5.7143 -2.556465      8.826156 
1 1 1 11 21 8  o 79.385  1.8534 62.896   2.0719  73.789  2.6601 84.981  2.5816 -11.19160      3.706853 
1 1 1 11 21 10 o 178.885 1.6659 320.174  4.2137  177.515 2.3416 180.254 2.3701 -2.739777      3.331744 
1 1 1 11 21 12 o 252.355 1.8925 637.045  6.7502  257.942 2.6858 246.768 2.6671 11.17435       3.785095 
1 1 1 11 21 14 o 147.747 1.5204 218.517  3.1753  150.424 2.1109 145.071 2.1888 5.353256       3.040816 
1 1 1 11 21 16 o 141.047 1.7672 199.167  3.5207  146.243 2.4476 135.851 2.5498 10.39200       3.534430 
1 1 1 11 21 18 o 84.718  2.0601 72.159   2.4451  86.975  2.6551 82.462  3.1505 4.513161       4.120121 
1 1 1 11 21 20 o 62.434  2.3161 38.976   1.9612  61.952  2.7025 62.915  3.7623 -0.9622421     4.632277 
1 1 1 11 21 22 o 134.993 1.7091 183.712  3.1290  137.700 1.9705 132.287 2.7931 5.412949       3.418228 
1 1 1 11 21 24 o 107.041 1.6319 115.311  2.3574  108.577 1.8610 105.504 2.6813 3.072273       3.263849 
1 1 1 11 21 26 o 100.216 2.9041 100.635  3.9422  98.896  3.3859 101.537 4.7192 -2.641434      5.808217 
1 1 1 11 21 28 o 90.552  3.1892 80.385   3.8193  84.170  3.6353 96.935  5.2411 -12.76490      6.378433 
1 1 1 11 21 30 o 103.484 3.0278 106.544  3.9087  100.739 2.9801 106.229 5.2717 -5.489426      6.055684 
1 1 1 11 21 32 o 46.881  5.6126 23.076   3.4220  45.909  6.1620 47.853  9.3828 -1.944546      11.22526 
1 1 1 11 21 34 f 43.118  6.5714 20.431   3.7171  40.060  7.9198 46.176  10.489 -6.115345      13.14280 
1 1 1 11 21 36 o 59.017  4.5785 36.399   3.7244  53.098  5.9800 64.936  6.9347 -11.83799      9.156968 
1 1 1 11 21 38 o 21.058  6.6822 0.9303   3.7899  18.694  8.2435 23.421  10.519 -4.727030      13.36446 
1 1 1 11 21 40 o 27.332  7.4741 10.597   4.0177  24.440  9.6932 30.224  11.379 -5.783745      14.94823 
1 1 1 11 21 42 o 20.591  6.8497 2.1861   4.7476  19.088  8.7003 22.095  10.582 -3.007532      13.69946 
1 1 1 11 22 1  o 243.929 2.0207 594.078  6.8934  247.596 3.0779 240.262 2.6191 7.333954       4.041434 
1 1 1 11 22 3  o 118.759 1.5959 139.951  2.6594  111.013 2.1842 126.505 2.3275 -15.49207      3.191837 
1 1 1 11 22 5  o 248.794 1.9445 619.599  6.8412  249.583 2.7295 248.003 2.7702 1.579926       3.888975 
1 1 1 11 22 7  f 195.061 1.7601 381.112  4.8468  197.773 2.3937 192.350 2.5812 5.423477       3.520286 
1 1 1 11 22 9  o 85.386  2.0315 72.915   2.4506  83.462  2.8360 87.309  2.9095 -3.846764      4.063017 
1 1 1 11 22 11 o 238.350 1.9525 568.669  6.5795  239.654 2.7944 237.047 2.7277 2.606339       3.905043 
1 1 1 11 22 13 o 55.209  2.8988 31.285   2.1802  60.448  3.3427 49.970  4.7369 10.47808       5.797586 
1 1 1 11 22 15 o 148.292 1.6947 220.164  3.5447  148.551 2.2930 148.032 2.4960 0.5185852      3.389334 
1 1 1 11 22 17 o 16.793  4.8677 0.1732   1.9629  13.948  6.3532 19.638  7.3768 -5.690312      9.735489 
1 1 1 11 22 19 o 50.409  2.9489 26.288   2.0140  56.777  3.3555 44.040  4.8503 12.73657       5.897879 
1 1 1 11 22 21 o 134.589 1.6780 181.019  3.1238  133.351 2.0781 135.827 2.6353 -2.475922      3.356048 
1 1 1 11 22 23 o 220.817 2.0663 487.772  6.2913  218.947 2.5313 222.687 3.2666 -3.739594      4.132589 
1 1 1 11 22 25 o 123.100 1.7502 152.395  2.9310  124.321 2.0433 121.879 2.8421 2.442612       3.500368 
1 1 1 11 22 27 f 53.101  5.3438 30.730   3.5263  59.103  5.0794 47.100  9.4033 12.00306       10.68752 
1 1 1 11 22 29 o 83.946  3.3098 70.937   3.5269  83.078  3.3356 84.814  5.7178 -1.736053      6.619647 
1 1 1 11 22 31 o 24.230  6.9323 3.2564   3.5421  23.773  8.7974 24.686  10.716 -0.9135666     13.86450 
1 1 1 11 22 33 o 21.881  6.6715 0.9962   3.5839  19.740  8.4714 24.022  10.309 -4.281443      13.34292 
1 1 1 11 22 35 o 28.677  7.5757 7.4502   3.8802  20.304  8.5826 37.050  12.486 -16.74597      15.15140 
1 1 1 11 22 37 o 21.940  6.6608 2.0278   3.8786  23.724  9.4917 20.157  9.3474 3.567286       13.32165 
1 1 1 11 22 39 o 20.005  6.5511 -0.6974  4.1800  16.808  7.9546 23.202  10.411 -6.393715      13.10217 
1 1 1 11 22 41 o 18.433  6.3893 -5.7070  5.1675  15.432  7.6600 21.434  10.228 -6.001471      12.77868 
1 1 1 11 23 0  o 257.268 2.6711 662.420  13.740  257.268 2.6711 ?       ?      0.000000       0.000000 
1 1 1 11 23 2  o 155.004 1.6472 240.524  3.6080  150.796 2.3737 159.212 2.2845 -8.415573      3.294405 
1 1 1 11 23 4  o 96.230  2.0349 93.318   2.7274  99.658  2.5489 92.801  3.1727 6.856743       4.069808 
1 1 1 11 23 6  o 293.014 2.3066 860.593  9.4754  294.487 2.9995 291.542 3.5050 2.944977       4.613244 
1 1 1 11 23 8  o 223.763 1.8255 501.430  5.7727  226.900 2.5190 220.626 2.6429 6.273972       3.651051 
1 1 1 11 23 10 o 143.336 1.7094 205.585  3.4601  143.935 2.4868 142.736 2.3459 1.199600       3.418711 
1 1 1 11 23 12 o 187.399 1.9213 350.076  5.0148  183.330 2.4563 191.469 2.9549 -8.138458      3.842521 
1 1 1 11 23 14 o 99.764  1.9440 99.667   2.7420  98.001  2.7688 101.527 2.7295 -3.526955      3.887939 
1 1 1 11 23 16 o 64.502  2.3853 41.743   2.1615  58.959  3.5251 70.044  3.2145 -11.08411      4.770659 
1 1 1 11 23 18 o 63.510  2.5350 40.404   2.2382  54.574  3.8084 72.447  3.3470 -17.87296      5.070086 
1 1 1 11 23 20 o 99.485  1.8986 98.898   2.6105  98.408  2.3466 100.562 2.9853 -2.153679      3.797208 
1 1 1 11 23 22 o 136.917 1.8270 185.542  3.4072  131.578 2.1938 142.256 2.9220 -10.67722      3.653912 
1 1 1 11 23 24 o 109.200 1.9078 116.038  2.7813  100.855 2.2325 117.545 3.0942 -16.68985      3.815534 
1 1 1 11 23 26 o 47.281  3.1151 22.367   1.8557  46.455  3.1069 48.107  5.4003 -1.652710      6.230290 
1 1 1 11 23 28 o 59.083  4.4048 35.365   3.4823  57.613  5.0103 60.552  7.2461 -2.938248      8.809630 
1 1 1 11 23 30 o 52.433  6.2030 28.562   4.1147  55.955  10.499 48.912  6.6099 7.043415       12.40603 
1 1 1 11 23 32 o 40.669  7.0725 18.052   3.8055  33.070  8.8862 48.267  11.005 -15.19745      14.14495 
1 1 1 11 23 34 o 33.444  7.4507 13.160   3.6662  30.572  8.9037 36.317  11.949 -5.745670      14.90135 
1 1 1 11 23 36 o 41.099  6.4610 20.794   3.5839  38.372  8.3570 43.826  9.8559 -5.454182      12.92200 
1 1 1 11 23 38 f 26.720  7.4979 9.8301   4.3385  28.306  10.193 25.133  10.999 3.172487       14.99570 
1 1 1 11 23 40 o 32.654  7.8986 20.174   4.8031  38.021  10.755 27.287  11.571 10.73383       15.79719 
1 1 1 11 24 1  o 129.687 1.7184 168.548  3.1461  126.124 2.5176 133.249 2.3396 -7.124786      3.436867 
1 1 1 11 24 3  o 216.150 2.2036 469.407  6.6651  211.721 3.3812 220.579 2.8267 -8.857788      4.407149 
1 1 1 11 24 5  o 71.055  2.3747 50.889   2.3656  66.949  3.6218 75.162  3.0724 -8.212326      4.749434 
1 1 1 11 24 7  o 68.311  2.4022 46.850   2.2963  67.455  3.6802 69.166  3.0884 -1.710510      4.804361 
1 1 1 11 24 9  o 109.305 1.7544 119.243  2.7024  105.774 2.4016 112.836 2.5582 -7.061707      3.508854 
1 1 1 11 24 11 o 59.476  2.8179 35.481   2.3656  56.666  4.0753 62.287  3.8929 -5.620937      5.635811 
1 1 1 11 24 13 o 178.351 1.7280 318.444  4.3571  175.815 2.4299 180.887 2.4576 -5.071655      3.456027 
1 1 1 11 24 15 o 104.760 1.9870 109.817  2.9398  101.379 2.7904 108.140 2.8295 -6.760857      3.973953 
1 1 1 11 24 17 o 125.534 1.8540 157.907  3.2897  125.745 2.5711 125.323 2.6719 0.4225464      3.708014 
1 1 1 11 24 19 o 175.191 1.8100 307.128  4.4428  173.819 2.3582 176.562 2.7466 -2.743698      3.620091 
1 1 1 11 24 21 o 195.735 1.9130 383.792  5.0715  195.124 2.2191 196.346 3.1168 -1.221771      3.826019 
1 1 1 11 24 23 o 78.891  2.5027 61.631   2.4727  76.766  2.4818 81.016  4.3469 -4.249603      5.005480 
1 1 1 11 24 25 f 52.785  2.7206 27.479   1.9151  49.782  3.1312 55.787  4.4499 -6.004807      5.441166 
1 1 1 11 24 27 o 75.023  1.9837 56.467   1.9320  74.803  2.0838 75.242  3.3761 -0.4387436     3.967381 
1 1 1 11 24 29 o 21.342  6.4594 0.7534   3.4072  20.868  8.5893 21.816  9.6498 -0.9485245     12.91872 
1 1 1 11 24 31 o 47.613  5.8644 24.816   3.6208  47.384  6.3357 47.841  9.8703 -0.4572792     11.72871 
1 1 1 11 24 33 o 57.902  5.6941 36.357   4.1258  56.275  5.6424 59.529  9.8921 -3.254234      11.38816 
1 1 1 11 24 35 o 41.370  7.1302 22.512   4.0212  42.185  8.3720 40.555  11.544 1.629856       14.26047 
1 1 1 11 24 37 o 32.518  7.7550 16.038   4.2807  27.187  10.317 37.850  11.581 -10.66335      15.50990 
1 1 1 11 24 39 o 26.138  7.5201 11.437   4.1980  21.731  9.2453 30.545  11.863 -8.814512      15.04026 
1 1 1 11 25 0  o 101.716 2.3868 103.687  4.8495  101.716 2.3868 ?       ?      0.000000       0.000000 
1 1 1 11 25 2  o 196.775 1.7015 387.672  4.7340  194.502 2.4339 199.049 2.3783 -4.547546      3.403014 
1 1 1 11 25 4  o 155.357 1.8013 241.758  3.9528  154.015 2.6239 156.699 2.4685 -2.683823      3.602558 
1 1 1 11 25 6  o 156.880 2.0039 246.517  4.4454  155.518 2.8584 158.241 2.8092 -2.723221      4.007809 
1 1 1 11 25 8  o 56.506  3.0161 32.199   2.3955  59.625  3.9698 53.388  4.5418 6.237862       6.032202 
1 1 1 11 25 10 o 60.860  2.6871 37.096   2.3035  65.070  3.7264 56.650  3.8726 8.420311       5.374266 
1 1 1 11 25 12 o 20.393  5.2551 3.3886   1.9880  21.444  7.3581 19.343  7.5048 2.101061       10.51017 
1 1 1 11 25 14 o 172.827 1.7599 299.238  4.3009  172.307 2.5129 173.346 2.4645 -1.039688      3.519755 
1 1 1 11 25 16 o 191.386 1.7813 366.947  4.8205  193.872 2.5014 188.899 2.5367 4.973175       3.562548 
1 1 1 11 25 18 o 98.517  2.1566 97.304   2.9921  97.745  2.8941 99.289  3.1980 -1.543449      4.313158 
1 1 1 11 25 20 o 59.192  2.8843 34.977   2.3176  57.614  3.4070 60.770  4.6551 -3.156284      5.768632 
1 1 1 11 25 22 o 189.842 1.9622 360.480  5.0105  187.821 2.2439 191.863 3.2197 -4.041779      3.924436 
1 1 1 11 25 24 o 148.039 1.9335 219.629  3.9208  146.762 2.3209 149.316 3.0932 -2.553818      3.867078 
1 1 1 11 25 26 o 51.581  3.3072 26.560   2.1154  50.205  3.2198 52.957  5.7779 -2.752613      6.614459 
1 1 1 11 25 28 o 44.789  2.9035 19.571   1.7320  40.094  3.4558 49.483  4.6668 -9.389172      5.807048 
1 1 1 11 25 30 o 52.997  4.9432 30.856   3.4601  60.701  5.5163 45.293  8.2043 15.40817       9.886356 
1 1 1 11 25 32 o 30.524  7.6133 10.860   4.2790  33.563  10.054 27.484  11.436 6.079306       15.22665 
1 1 1 11 25 34 o 22.575  6.7670 4.0496   3.5537  21.995  8.4937 23.156  10.537 -1.161579      13.53401 
1 1 1 11 25 36 o 61.244  4.5067 43.096   3.8711  60.540  5.9125 61.948  6.8033 -1.407948      9.013438 
1 1 1 11 25 38 o 35.680  6.6495 21.430   4.3079  46.649  7.0542 24.711  11.274 21.93818       13.29904 
1 1 1 11 26 1  o 376.952 2.6322 1426.02  14.027  375.358 3.7836 378.546 3.6603 -3.187225      5.264344 
1 1 1 11 26 3  o 177.900 1.7219 317.066  4.3299  181.178 2.3899 174.622 2.4796 6.555344       3.443822 
1 1 1 11 26 5  o 135.267 1.7245 183.423  3.2897  142.413 2.3512 128.122 2.5234 14.29060       3.449032 
1 1 1 11 26 7  o 272.622 2.2860 745.818  8.7111  273.746 2.9315 271.498 3.5086 2.247559       4.572085 
1 1 1 11 26 9  o 214.861 2.1061 463.160  6.2619  215.556 2.5979 214.165 3.3157 1.391296       4.212265 
1 1 1 11 26 11 o 79.759  2.4602 63.898   2.7699  78.378  3.6093 81.140  3.3441 -2.761963      4.920376 
1 1 1 11 26 13 o 64.411  2.9457 41.588   2.6768  62.232  4.0818 66.590  4.2482 -4.357800      5.891394 
1 1 1 11 26 15 o 98.907  2.0771 98.539   2.8762  101.756 2.6666 96.059  3.1854 5.697525       4.154177 
1 1 1 11 26 17 o 57.828  2.9973 33.326   2.4261  52.335  4.1919 63.322  4.2851 -10.98690      5.994533 
1 1 1 11 26 19 o 95.430  2.7460 90.954   3.5239  93.186  3.1596 97.675  4.4921 -4.488556      5.492024 
1 1 1 11 26 21 o 91.817  2.1989 84.321   2.8341  87.908  2.9553 95.727  3.2567 -7.819458      4.397730 
1 1 1 11 26 23 o 77.864  2.7057 61.628   2.7469  79.272  2.8403 76.456  4.6061 2.816208       5.411430 
1 1 1 11 26 25 o 56.908  3.1143 32.254   2.3482  54.420  3.5008 59.396  5.1516 -4.975121      6.228525 
1 1 1 11 26 27 o 20.365  4.9626 2.3343   2.1034  24.472  6.3253 16.258  7.6485 8.214581       9.925140 
1 1 1 11 26 29 o 35.923  4.0176 13.589   1.6805  36.288  3.5001 35.559  7.2327 0.7289772      8.035109 
1 1 1 11 26 31 o 24.013  7.7539 -1.4530  5.7618  26.986  11.973 21.041  9.8557 5.945059       15.50781 
1 1 1 11 26 33 o 20.677  6.6570 0.3386   4.1598  19.287  8.7147 22.067  10.066 -2.779999      13.31404 
1 1 1 11 26 35 o 18.716  6.3110 -2.3811  3.8946  15.010  7.1711 22.421  10.387 -7.411612      12.62205 
1 1 1 11 26 37 o 20.045  6.2123 3.1981   3.4290  22.622  9.4570 17.467  8.0582 5.155056       12.42455 
1 1 1 11 27 0  o 353.154 3.5155 1249.79  24.825  353.154 3.5155 ?       ?      0.000000       0.000000 
1 1 1 11 27 2  f 154.015 1.8287 237.375  3.9760  151.291 2.5185 156.738 2.6520 -5.446716      3.657358 
1 1 1 11 27 4  o 87.146  2.3318 76.403   2.8435  88.755  2.9922 85.537  3.5772 3.218109       4.663606 
1 1 1 11 27 6  f 226.565 2.0575 515.135  6.5769  230.363 2.7818 222.767 3.0322 7.596375       4.114918 
1 1 1 11 27 8  o 245.241 2.1015 603.698  7.2669  249.285 2.8254 241.196 3.1117 8.089279       4.203019 
1 1 1 11 27 10 o 97.620  2.2791 95.589   3.1461  98.504  3.2235 96.735  3.2228 1.768547       4.558191 
1 1 1 11 27 12 o 121.866 1.9640 149.177  3.3751  124.599 2.6411 119.133 2.9076 5.465607       3.928040 
1 1 1 11 27 14 o 91.944  2.3122 84.908   2.9921  92.077  3.4485 91.811  3.0812 0.2655411      4.624498 
1 1 1 11 27 16 o 75.448  2.5250 58.383   2.6189  82.628  3.0044 68.269  4.0592 14.35983       5.050096 
1 1 1 11 27 18 o 134.096 1.9794 180.702  3.7526  136.034 2.7586 132.159 2.8395 3.874771       3.958823 
1 1 1 11 27 20 o 95.087  2.3789 91.803   2.9201  96.818  2.4448 93.356  4.0815 3.462952       4.757723 
1 1 1 11 27 22 o 16.814  5.4211 -2.3965  2.5638  14.927  6.6131 18.702  8.5918 -3.775304      10.84212 
1 1 1 11 27 24 o 25.360  6.2372 6.2988   2.5679  23.869  7.5617 26.851  9.9213 -2.981789      12.47441 
1 1 1 11 27 26 o 45.338  4.1848 21.797   2.4520  47.389  4.2639 43.286  7.2021 4.102665       8.369679 
1 1 1 11 27 28 o 44.801  3.9319 21.116   2.2425  45.523  3.9314 44.079  6.8106 1.443443       7.863869 
1 1 1 11 27 30 o 26.357  4.4887 7.9093   1.6377  29.787  4.4578 22.926  7.7923 6.861053       8.977304 
1 1 1 11 27 32 o 27.239  7.1388 7.2718   4.0211  17.876  8.2546 36.602  11.650 -18.72618      14.27769 
1 1 1 11 27 34 o 25.608  7.4524 8.9894   4.3158  24.979  10.108 26.237  10.953 -1.257763      14.90479 
1 1 1 11 27 36 o 20.960  6.8158 2.7919   4.4522  19.812  8.9083 22.107  10.318 -2.294725      13.63152 
1 1 1 11 28 1  o 47.548  4.0763 22.777   2.7347  45.873  5.6633 49.223  5.8644 -3.349895      8.152552 
1 1 1 11 28 3  o 132.937 1.9840 176.974  3.7181  141.089 2.7416 124.785 2.8685 16.30409       3.967918 
1 1 1 11 28 5  o 44.521  4.5337 21.760   2.5192  53.346  4.3289 35.696  7.9673 17.65012       9.067410 
1 1 1 11 28 7  o 78.354  2.5515 61.467   2.8183  82.126  3.6555 74.583  3.5607 7.543190       5.103060 
1 1 1 11 28 9  o 102.275 2.1149 104.611  3.0424  99.312  2.8485 105.239 3.1269 -5.927368      4.229834 
1 1 1 11 28 11 o 199.535 2.1823 399.931  6.1321  199.115 3.2474 199.955 2.9161 -0.8405609     4.364558 
1 1 1 11 28 13 o 176.071 2.0171 311.273  5.0220  174.161 2.8508 177.980 2.8545 -3.819321      4.034252 
1 1 1 11 28 15 o 129.236 2.0230 166.852  3.6507  125.240 2.6276 133.232 3.0766 -7.992805      4.045908 
1 1 1 11 28 17 o 148.579 1.9363 221.391  4.0601  144.224 2.6820 152.933 2.7935 -8.708710      3.872554 
1 1 1 11 28 19 o 132.258 2.1466 174.620  3.7775  129.909 2.3998 134.607 3.5598 -4.698395      4.293184 
1 1 1 11 28 21 o 58.371  3.6766 34.680   2.7530  58.230  3.7675 58.512  6.3147 -0.2827797     7.353195 
1 1 1 11 28 23 o 68.582  2.9273 48.070   2.5815  69.486  2.9911 67.678  5.0330 1.807686       5.854665 
1 1 1 11 28 25 o 78.906  2.6864 62.093   2.6408  76.308  2.6480 81.504  4.6750 -5.195526      5.372860 
1 1 1 11 28 27 o 32.110  5.4826 11.792   2.3815  34.709  5.4889 29.510  9.4924 5.199749       10.96512 
1 1 1 11 28 29 f 19.577  5.5663 3.0570   2.1643  17.686  6.7655 21.469  8.8411 -3.783129      11.13268 
1 1 1 11 28 31 f 18.334  4.8398 3.3328   1.5930  17.188  5.9972 19.481  7.5980 -2.292326      9.679688 
1 1 1 11 28 33 o 20.416  6.7278 -0.1148  4.5761  19.023  8.7857 21.809  10.191 -2.786200      13.45563 
1 1 1 11 29 0  o 44.079  6.5707 20.437   5.5423  44.079  6.5707 ?       ?      0.000000       0.000000 
1 1 1 11 29 2  o 90.196  2.2363 81.874   2.8242  99.462  2.9603 80.931  3.3528 18.53098       4.472607 
1 1 1 11 29 4  f 83.291  2.6077 69.797   3.0555  89.718  3.5392 76.863  3.8306 12.85480       5.215312 
1 1 1 11 29 6  o 31.435  6.1399 10.490   2.8551  28.014  8.8534 34.857  8.5095 -6.842794      12.27981 
1 1 1 11 29 8  o 28.321  5.7485 8.4037   2.5110  32.345  7.7623 24.296  8.4809 8.049088       11.49693 
1 1 1 11 29 10 o 55.926  3.7990 31.739   2.9976  52.967  5.4498 58.885  5.2943 -5.918194      7.598001 
1 1 1 11 29 12 o 55.631  3.6704 31.685   2.8575  51.366  5.6196 59.895  4.7231 -8.528240      7.340850 
1 1 1 11 29 14 o 62.623  3.5512 39.524   3.1017  59.889  4.6271 65.357  5.3884 -5.468086      7.102452 
1 1 1 11 29 16 o 97.170  2.3666 96.148   3.1976  90.278  3.7091 104.063 2.9404 -13.78478      4.733171 
1 1 1 11 29 18 o 75.125  3.5269 56.922   3.6958  70.925  4.6398 79.324  5.3129 -8.399620      7.053702 
1 1 1 11 29 20 o 48.625  5.0543 25.084   3.1196  48.890  5.1958 48.359  8.6711 0.5305862      10.10860 
1 1 1 11 29 22 f 59.329  3.9048 35.381   3.0470  55.153  4.3964 63.505  6.4546 -8.351627      7.809633 
1 1 1 11 29 24 o 65.033  3.6399 42.350   3.0463  60.455  3.9153 69.611  6.1372 -9.156158      7.279779 
1 1 1 11 29 26 o 35.744  5.7724 15.278   2.6751  40.290  5.1585 31.198  10.328 9.092766       11.54472 
1 1 1 11 29 28 o 19.121  5.5919 2.3473   2.3039  14.774  6.4931 23.469  9.1059 -8.695596      11.18384 
1 1 1 11 29 30 f 19.218  5.3598 2.8906   2.2695  20.802  7.0166 17.634  8.1041 3.168329       10.71955 
1 1 1 11 29 32 o 15.478  5.4213 -1.3063  1.9932  10.887  4.9682 20.069  9.6374 -9.181818      10.84256 
1 1 1 11 30 1  o 45.979  4.5832 21.557   2.9393  46.805  7.0307 45.153  5.8816 1.652790       9.166447 
1 1 1 11 30 3  o 102.896 2.3142 106.920  3.3485  109.236 3.0653 96.556  3.4679 12.68025       4.628471 
1 1 1 11 30 5  o 54.439  4.1632 30.226   3.1976  54.919  6.0971 53.959  5.6706 0.9592133      8.326496 
1 1 1 11 30 7  o 24.768  6.0965 5.6251   2.6243  21.222  8.0658 28.315  9.1440 -7.092646      12.19303 
1 1 1 11 30 9  o 21.665  6.1985 2.0784   3.0241  19.841  8.6164 23.489  8.9131 -3.647366      12.39696 
1 1 1 11 30 11 o 47.240  4.4148 22.878   2.9432  45.002  6.4144 49.478  6.0675 -4.475868      8.829505 
1 1 1 11 30 13 o 56.641  3.5423 32.676   2.8289  54.093  5.2297 59.189  4.7794 -5.096317      7.084623 
1 1 1 11 30 15 o 46.419  5.7567 23.324   3.4863  43.727  9.7565 49.110  6.1130 -5.382069      11.51341 
1 1 1 11 30 17 o 110.382 2.6246 123.288  4.0860  106.994 3.6152 113.770 3.8058 -6.776741      5.249223 
1 1 1 11 30 19 o 27.520  6.5701 7.9286   3.0106  28.218  8.3918 26.821  10.111 1.396706       13.14013 
1 1 1 11 30 21 o 31.352  6.0083 11.090   2.8086  36.231  5.8958 26.474  10.471 9.756708       12.01669 
1 1 1 11 30 23 o 33.075  6.5572 13.038   3.0661  35.804  6.6979 30.347  11.275 5.457537       13.11445 
1 1 1 11 30 25 o 19.556  5.8690 1.6618   2.7225  19.154  7.5642 19.958  8.9757 -0.8043423     11.73797 
1 1 1 11 30 27 o 22.935  6.1804 4.0805   2.7375  14.675  6.6691 31.195  10.407 -16.51990      12.36077 
1 1 1 11 30 29 o 22.261  5.9747 5.7399   2.3465  19.639  7.0921 24.882  9.6172 -5.243366      11.94936 
1 1 1 11 30 31 o 26.486  5.7444 8.9422   2.1785  20.491  6.8987 32.482  9.1871 -11.99174      11.48889 
1 1 1 11 31 0  o 230.629 3.0552 533.793  14.087  230.629 3.0552 ?       ?      0.000000       0.000000 
1 1 1 11 31 2  o 188.784 2.0544 358.349  5.4840  188.666 2.9376 188.902 2.8728 -0.2358246     4.108870 
1 1 1 11 31 4  o 21.792  6.0166 2.1938   2.8866  25.767  9.0363 17.818  7.9463 7.949034       12.03318 
1 1 1 11 31 6  o 79.296  2.8614 63.592   3.2039  81.306  3.9054 77.287  4.1831 4.018951       5.722794 
1 1 1 11 31 8  o 76.196  3.0305 58.805   3.2596  77.054  4.1208 75.338  4.4446 1.716042       6.061012 
1 1 1 11 31 10 o 46.448  4.4386 22.215   2.9129  46.842  6.4090 46.055  6.1424 0.7868881      8.877165 
1 1 1 11 31 12 o 53.187  4.3039 29.169   3.2289  52.749  6.3480 53.624  5.8137 -0.8758278     8.607881 
1 1 1 11 31 14 o 86.168  2.9417 75.646   3.5710  86.446  3.9403 85.890  4.3691 0.5565872      5.883427 
1 1 1 11 31 16 o 53.462  4.4672 30.851   3.1456  47.824  7.6052 59.100  4.6889 -11.27583      8.934475 
1 1 1 11 31 18 o 41.489  5.9603 19.291   3.1534  43.595  5.8269 39.383  10.400 4.212120       11.92069 
1 1 1 11 31 20 o 21.936  6.2107 3.6926   2.6680  20.220  7.5064 23.651  9.8968 -3.431282      12.42140 
1 1 1 11 31 22 o 28.536  7.0850 9.3188   3.3250  25.662  8.6885 31.410  11.194 -5.748598      14.16999 
1 1 1 11 31 24 o 20.408  6.2383 2.4197   3.2089  19.532  8.2030 21.284  9.4008 -1.752268      12.47657 
1 1 1 11 31 26 o 17.595  5.6712 -1.3775  3.1085  17.716  7.6549 17.474  8.3697 0.2424946      11.34237 
1 1 1 11 31 28 o 23.959  6.4434 6.8835   2.7523  19.381  7.5900 28.537  10.414 -9.156170      12.88671 
1 1 1 11 31 30 o 15.027  4.9158 -1.2008  2.3555  14.103  6.4051 15.951  7.4590 -1.847417      9.831650 
1 1 1 11 32 1  o 237.581 2.0362 568.088  6.8412  237.709 2.8659 237.453 2.8933 0.2559357      4.072369 
1 1 1 11 32 3  o 115.256 2.1505 134.031  3.4811  116.856 2.8161 113.655 3.2510 3.201614       4.301036 
1 1 1 11 32 5  o 62.108  3.8327 39.576   3.3325  63.230  4.9305 60.986  5.8692 2.244453       7.665351 
1 1 1 11 32 7  o 82.010  2.7398 68.154   3.1742  84.877  3.8091 79.144  3.9391 5.732590       5.479544 
1 1 1 11 32 9  f 34.611  6.1846 13.452   3.0598  38.045  8.2735 31.176  9.1950 6.869646       12.36929 
1 1 1 11 32 11 o 55.167  3.9341 31.454   3.0555  53.951  5.8855 56.384  5.2220 -2.433071      7.868186 
1 1 1 11 32 13 o 18.045  5.5512 -2.3093  2.8505  22.443  8.9344 13.647  6.5911 8.795964       11.10250 
1 1 1 11 32 15 o 51.498  4.4378 27.862   3.2237  50.186  6.0969 52.809  6.4500 -2.623268      8.875546 
1 1 1 11 32 17 o 60.070  3.9368 37.479   3.1196  58.705  4.3271 61.436  6.5781 -2.730511      7.873657 
1 1 1 11 32 19 o 45.164  6.6327 24.959   3.0926  50.074  4.2659 40.254  12.561 9.819969       13.26545 
1 1 1 11 32 21 o 33.721  6.5695 14.900   3.3103  38.625  6.9820 28.816  11.130 9.809483       13.13896 
1 1 1 11 32 23 o 26.442  6.5901 8.7488   2.9237  25.753  8.0721 27.131  10.419 -1.378523      13.18022 
1 1 1 11 32 25 o 27.311  6.2933 9.9664   2.8856  30.346  7.1486 24.276  10.359 6.069729       12.58655 
1 1 1 11 32 27 o 42.628  5.3292 22.941   2.9697  42.237  5.8775 43.019  8.8913 -0.7819557     10.65837 
1 1 1 11 33 0  o 54.240  5.6441 30.829   6.0042  54.240  5.6441 ?       ?      0.000000       0.000000 
1 1 1 11 33 2  o 84.682  2.9396 72.811   3.5132  87.949  4.2011 81.415  4.1128 6.533813       5.879207 
1 1 1 11 33 4  o 65.353  3.6139 44.035   3.3194  69.167  4.7577 61.539  5.4412 7.627403       7.227874 
1 1 1 11 33 6  o 42.788  5.3778 20.120   3.1165  36.952  8.7226 48.625  6.2927 -11.67208      10.75553 
1 1 1 11 33 8  o 17.427  5.6436 -3.1747  3.1144  18.078  8.3109 16.776  7.6375 1.302095       11.28721 
1 1 1 11 33 10 o 19.457  5.9766 0.1155   3.0598  19.022  8.3583 19.892  8.5450 -0.8700790     11.95312 
1 1 1 11 33 12 o 28.893  6.6411 9.3664   3.1334  25.778  9.1176 32.007  9.6585 -6.228477      13.28217 
1 1 1 11 33 14 o 43.922  5.3032 21.903   3.1079  49.666  5.9283 38.177  8.7949 11.48864       10.60637 
1 1 1 11 33 16 o 62.523  4.5389 44.459   3.1936  69.206  3.5037 55.840  8.3745 13.36554       9.077855 
1 1 1 11 33 18 f 74.856  3.4674 59.819   3.4667  76.767  3.8354 72.944  5.7777 3.823036       6.934833 
1 1 1 11 33 20 o 50.074  5.8023 30.651   3.5528  54.231  5.3228 45.916  10.312 8.315025       11.60464 
1 1 1 11 33 22 o 20.820  6.2933 3.5578   3.0588  17.538  7.6173 24.103  10.020 -6.565439      12.58659 
1 1 1 11 33 24 o 26.439  6.3456 9.4792   3.0315  29.772  7.8412 23.107  9.9790 6.664694       12.69112 
1 1 1 11 33 26 o 20.737  6.2504 4.4168   3.1085  20.030  8.0659 21.444  9.5504 -1.414026      12.50079 
1 1 1 11 34 1  o 90.072  2.6980 82.741   3.4329  90.341  3.7065 89.803  3.9216 0.5382004      5.395995 
1 1 1 11 34 3  o 33.989  6.7113 13.419   3.3395  33.290  9.2256 34.688  9.7495 -1.398232      13.42251 
1 1 1 11 34 5  o 27.110  6.8495 7.6833   3.3974  24.747  9.7857 29.473  9.5865 -4.726488      13.69894 
1 1 1 11 34 7  o 45.195  5.4630 23.233   3.2897  54.788  6.1117 35.602  9.0568 19.18551       10.92606 
1 1 1 11 34 9  o 58.703  3.9795 36.139   3.1492  57.976  4.5807 59.429  6.5087 -1.453537      7.958969 
1 1 1 11 34 11 o 53.546  4.5727 31.542   3.3475  60.948  5.3992 46.145  7.3816 14.80388       9.145476 
1 1 1 11 34 13 o 23.228  6.7232 4.3403   3.5207  23.672  9.5297 22.784  9.4864 0.8883038      13.44644 
1 1 1 11 34 15 o 31.672  7.4109 13.016   3.8421  24.691  9.4141 38.653  11.448 -13.96214      14.82174 
1 1 1 11 34 17 o 37.343  5.5459 16.874   2.9262  28.332  8.7239 46.354  6.8500 -18.02270      11.09187 
1 1 1 11 34 19 o 38.832  6.0130 18.979   3.0309  39.708  6.1064 37.955  10.360 1.752930       12.02600 
1 1 1 11 34 21 o 26.905  7.3265 10.341   3.8570  24.347  9.5718 29.463  11.095 -5.115732      14.65296 
1 1 1 11 34 23 o 21.595  6.3416 5.5537   3.2482  22.486  8.4026 20.704  9.5005 1.781639       12.68319 
1 1 1 11 35 0  o 130.053 3.3788 171.349  8.7753  130.053 3.3788 ?       ?      0.000000       0.000000 
1 1 1 11 35 2  o 93.152  2.7994 89.746   3.6549  90.455  4.2762 95.849  3.6140 -5.393433      5.598811 
1 1 1 11 35 4  o 36.799  6.1470 16.274   3.2018  42.076  7.6956 31.522  9.5874 10.55416       12.29397 
1 1 1 11 35 6  o 19.270  6.0248 -1.4513  3.3325  23.135  9.5503 15.405  7.3475 7.730371       12.04968 
1 1 1 11 35 8  o 54.481  4.0841 32.041   3.1175  50.189  6.2116 58.773  5.3044 -8.583366      8.168237 
1 1 1 11 35 10 o 25.423  6.8637 7.4038   3.5484  28.147  9.8961 22.699  9.5135 5.448236       13.72732 
1 1 1 11 35 12 f 25.297  6.6332 7.3187   3.3751  30.235  9.9230 20.359  8.8054 9.875885       13.26649 
1 1 1 11 35 14 o 19.403  6.3026 -1.8832  4.0105  17.059  8.1623 21.747  9.6055 -4.687599      12.60515 
1 1 1 11 35 16 o 28.567  6.5408 10.753   2.7582  26.993  7.4571 30.140  10.748 -3.146818      13.08157 
1 1 1 11 35 18 o 24.621  6.4700 7.9715   2.9743  23.378  8.6945 25.864  9.5837 -2.486656      12.93994 
1 1 1 11 35 20 o 21.269  6.5252 5.2766   3.0321  17.696  7.4010 24.843  10.749 -7.147570      13.05038 
1 1 1 11 36 1  o 78.598  3.2689 65.479   3.6142  82.265  4.7721 74.930  4.4688 7.334976       6.537827 
1 1 1 11 36 3  o 53.847  4.6248 32.830   3.5207  52.838  6.5557 54.856  6.5251 -2.017502      9.249581 
1 1 1 11 36 5  o 21.388  6.0170 0.3265   3.3445  28.906  9.9214 13.871  6.8104 15.03481       12.03395 
1 1 1 11 36 7  o 19.407  6.1038 0.7106   3.3751  20.610  8.9755 18.204  8.2743 2.405554       12.20756 
1 1 1 11 36 9  o 50.861  4.6927 29.400   3.3653  48.677  6.5231 53.045  6.7479 -4.367477      9.385379 
1 1 1 11 36 11 o 66.517  3.8146 48.998   3.5785  68.540  5.1381 64.494  5.6395 4.045341       7.629144 
1 1 1 11 36 13 o 37.763  6.0873 18.962   3.3173  30.479  9.8343 45.048  7.1768 -14.56899      12.17455 
1 1 1 11 36 15 o 25.330  6.9523 8.8982   3.5040  21.774  8.8827 28.886  10.698 -7.112017      13.90466 
1 1 1 11 36 17 o 23.557  6.6116 7.7542   3.3692  24.913  8.5882 22.201  10.055 2.711571       13.22318 
1 1 1 11 37 0  o 86.840  4.6147 78.978   7.9671  86.840  4.6147 ?       ?      0.000000       0.000000 
1 1 1 11 37 2  o 80.342  3.2700 69.896   3.6913  83.629  4.2801 77.054  4.9450 6.574936       6.540027 
1 1 1 11 37 4  o 22.402  6.5908 5.3285   3.4926  24.055  9.5904 20.749  9.0431 3.305355       13.18151 
1 1 1 11 37 6  o 19.434  5.9695 1.1567   3.2892  16.819  7.9875 22.049  8.8736 -5.229460      11.93909 
1 1 1 11 37 8  f 19.013  6.1187 -0.3061  3.7056  20.209  8.8865 17.817  8.4135 2.391920       12.23747 
1 1 1 11 37 10 o 17.639  5.8499 -2.2263  3.6940  16.547  7.9028 18.731  8.6274 -2.183445      11.69979 
1 1 1 11 37 12 o 33.748  6.8626 18.187   3.5857  29.330  10.968 38.166  8.2509 -8.836266      13.72514 
1 1 1 11 37 14 o 25.217  7.1855 7.9996   3.9160  18.043  8.2012 32.390  11.801 -14.34725      14.37099 
1 1 1 11 38 1  o 83.733  3.4686 78.522   4.0957  82.109  5.1328 85.357  4.6669 -3.248299      6.937234 
1 1 1 11 38 3  o 61.422  4.5450 45.668   3.8967  55.404  6.9815 67.439  5.8212 -12.03495      9.090009 
1 1 1 11 38 5  o 25.002  6.5659 9.4480   3.1461  22.692  9.0798 27.312  9.4869 -4.620035      13.13178 
1 1 1 11 38 7  o 17.475  5.6991 -0.6191  3.3236  18.121  8.1287 16.829  7.9900 1.291914       11.39811 
1 1 1 12 1  1  o 239.431 1.8376 578.227  6.1180  250.333 2.2832 228.530 2.8799 21.80272       3.675155 
1 1 1 12 1  3  o 328.301 2.2590 1084.61  10.338  339.499 2.8399 317.102 3.5138 22.39645       4.517918 
1 1 1 12 1  5  o 464.370 3.0058 2162.98  19.431  470.731 3.7774 458.009 4.6765 12.72180       6.011526 
1 1 1 12 1  7  o 145.380 1.4785 211.718  3.0241  147.565 1.9562 143.196 2.2174 4.369095       2.956958 
1 1 1 12 1  9  o 622.172 3.6580 3871.80  32.178  619.939 5.1126 624.406 5.2332 -4.466736      7.316098 
1 1 1 12 1  11 o 217.661 1.6600 473.647  5.1052  218.973 2.3992 216.348 2.2949 2.625076       3.320062 
1 1 1 12 1  13 o 180.033 1.3486 322.910  3.4154  185.708 1.9896 174.357 1.8211 11.35063       2.697234 
1 1 1 12 1  15 o 341.522 2.1342 1166.73  10.305  336.206 3.0566 346.839 2.9795 -10.63257      4.268493 
1 1 1 12 1  17 o 171.582 1.4153 294.055  3.4290  175.014 2.0452 168.151 1.9570 6.862640       2.830692 
1 1 1 12 1  19 f 140.860 1.4485 197.927  2.8762  144.834 2.1126 136.885 1.9823 7.948975       2.896989 
1 1 1 12 1  21 o 48.365  2.2707 24.374   1.4580  42.156  3.8346 54.574  2.4331 -12.41796      4.541409 
1 1 1 12 1  23 o 578.081 4.0364 3362.06  30.917  584.305 4.4067 571.856 6.7640 12.44855       8.072880 
1 1 1 12 1  25 o 216.607 1.8015 468.791  5.2278  215.867 2.0326 217.347 2.9750 -1.480026      3.603029 
1 1 1 12 1  27 o 121.224 1.5069 147.660  2.4759  122.828 1.7391 119.620 2.4614 3.207565       3.013798 
1 1 1 12 1  29 o 80.054  1.8295 65.040   1.9794  83.488  2.0745 76.619  3.0140 6.869377       3.658925 
1 1 1 12 1  31 o 163.824 1.6418 267.680  3.6247  162.280 1.8855 165.368 2.6882 -3.088226      3.283510 
1 1 1 12 1  33 o 53.522  2.6552 28.468   1.9211  52.149  3.0998 54.896  4.3119 -2.746490      5.310434 
1 1 1 12 1  35 o 39.559  3.5997 15.472   1.9794  35.516  4.8766 43.603  5.2962 -8.086803      7.199356 
1 1 1 12 1  37 o 13.339  4.3879 -4.4351  2.0879  14.383  6.4339 12.295  5.9681 2.087573       8.775747 
1 1 1 12 1  39 f 69.734  2.4374 49.520   2.3614  74.641  3.0165 64.827  3.8294 9.813560       4.874785 
1 1 1 12 1  41 o 41.797  3.8551 17.711   2.2625  40.143  5.1774 43.452  5.7132 -3.309357      7.710135 
1 1 1 12 1  43 o 55.767  3.1549 32.286   2.4028  59.803  3.6684 51.730  5.1337 8.073029       6.309706 
1 1 1 12 1  45 o 42.201  4.3894 19.492   2.4704  46.221  4.9962 38.182  7.2183 8.038361       8.778731 
1 1 1 12 1  47 o 21.942  5.9703 4.7230   2.6938  17.951  7.7036 25.934  9.1231 -7.982407      11.94053 
1 1 1 12 1  49 o 21.827  6.7490 1.3785   4.2196  27.432  10.980 16.222  7.8508 11.21000       13.49792 
1 1 1 12 2  0  o 58.676  1.7746 34.524   2.0784  58.676  1.7746 ?       ?      0.000000       0.000000 
1 1 1 12 2  2  o 842.469 5.3089 7112.14  63.083  851.154 7.1627 833.785 7.8381 17.36859       10.61789 
1 1 1 12 2  4  o 155.055 1.3785 239.919  2.9477  153.772 1.6895 156.338 2.1787 -2.566086      2.757041 
1 1 1 12 2  6  o 471.905 2.9848 2227.48  19.916  464.780 4.2481 479.030 4.1941 -14.25021      5.969656 
1 1 1 12 2  8  f 433.826 2.7149 1881.80  16.645  436.811 3.9122 430.840 3.7654 5.971100       5.429832 
1 1 1 12 2  10 o 73.453  1.2767 53.618   1.3178  77.186  1.8699 69.720  1.7389 7.466286       2.553501 
1 1 1 12 2  12 o 231.387 1.6586 534.314  5.4047  235.877 2.4476 226.897 2.2391 8.980103       3.317238 
1 1 1 12 2  14 o 132.561 1.2627 175.689  2.3656  133.301 1.8190 131.820 1.7518 1.480484       2.525422 
1 1 1 12 2  16 o 582.393 3.3929 3393.46  27.942  576.595 4.8261 588.191 4.7702 -11.59595      6.785715 
1 1 1 12 2  18 o 24.132  3.4517 6.0042   1.1546  21.085  5.4412 27.178  4.2485 -6.092625      6.903312 
1 1 1 12 2  20 o 155.036 1.3979 240.423  3.0500  154.885 2.0874 155.186 1.8601 -0.3005981     2.795896 
1 1 1 12 2  22 o 321.522 2.2798 1036.31  10.313  327.391 3.0154 315.652 3.4202 11.73947       4.559666 
1 1 1 12 2  24 o 445.438 3.0208 1984.86  18.284  444.358 3.5339 446.518 4.9003 -2.159882      6.041610 
1 1 1 12 2  26 o 113.846 1.5305 129.975  2.3574  114.664 1.7622 113.027 2.5028 1.637398       3.060977 
1 1 1 12 2  28 o 179.836 1.6002 325.748  3.9524  184.233 1.9115 175.440 2.5668 8.793076       3.200347 
1 1 1 12 2  30 o 24.308  4.6269 6.1439   1.6043  25.097  5.6562 23.518  7.3239 1.579098       9.253794 
1 1 1 12 2  32 f 81.954  1.8612 67.024   2.0799  81.090  2.2071 82.818  2.9975 -1.728027      3.722389 
1 1 1 12 2  34 o 108.683 1.6981 116.886  2.5158  104.622 2.0417 112.745 2.7139 -8.123070      3.396180 
1 1 1 12 2  36 o 82.076  2.0445 66.937   2.3163  79.327  2.5472 84.826  3.1988 -5.499756      4.089090 
1 1 1 12 2  38 o 51.849  2.9741 27.748   2.0752  55.795  3.3111 47.902  4.9414 7.893120       5.948142 
1 1 1 12 2  40 o 57.104  2.8894 32.612   2.3093  53.028  3.9193 61.179  4.2465 -8.150322      5.778749 
1 1 1 12 2  42 o 27.538  5.5310 7.9671   2.4248  33.437  7.4454 21.639  8.1813 11.79833       11.06203 
1 1 1 12 2  44 o 30.551  5.7740 10.527   2.5688  33.076  7.7980 28.026  8.5176 5.049770       11.54806 
1 1 1 12 2  46 o 18.425  5.5805 1.0494   2.5928  18.541  8.0070 18.310  7.7753 0.2307472      11.16100 
1 1 1 12 2  48 o 21.549  5.8722 4.7095   2.7024  18.448  8.1121 24.650  8.4927 -6.202011      11.74450 
1 1 1 12 2  50 o 25.866  6.8161 8.8651   3.5455  33.621  10.945 18.111  8.1262 15.51017       13.63213 
1 1 1 12 3  1  o 433.612 2.8260 1880.08  17.287  435.676 4.1476 431.548 3.8395 4.128357       5.651930 
1 1 1 12 3  3  o 790.669 4.9087 6250.84  53.438  793.617 7.7911 787.721 5.9732 5.896912       9.817303 
1 1 1 12 3  5  o 702.218 4.1165 4933.73  40.863  702.273 5.9190 702.163 5.7226 0.1105957      8.232966 
1 1 1 12 3  7  o 105.480 1.2189 111.099  1.8144  103.400 1.6750 107.560 1.7713 -4.159325      2.437835 
1 1 1 12 3  9  o 664.766 3.8688 4420.50  36.370  666.210 5.4941 663.321 5.4484 2.889160       7.737589 
1 1 1 12 3  11 o 247.197 1.7422 611.003  6.0895  245.048 2.4502 249.345 2.4774 -4.296799      3.484409 
1 1 1 12 3  13 o 244.616 2.0723 598.926  7.1514  241.984 3.0538 247.249 2.8020 -5.264908      4.144504 
1 1 1 12 3  15 o 179.767 1.4079 323.185  3.5794  179.478 1.9943 180.056 1.9879 -0.5780792     2.815897 
1 1 1 12 3  17 o 65.309  1.5329 42.687   1.4139  64.469  2.2388 66.149  2.0946 -1.679886      3.065875 
1 1 1 12 3  19 o 248.679 1.7898 618.659  6.2928  245.405 2.5643 251.952 2.4976 -6.546829      3.579601 
1 1 1 12 3  21 o 127.264 1.8517 159.367  3.0164  131.269 3.1666 123.259 1.9204 8.009888       3.703380 
1 1 1 12 3  23 o 45.910  3.0177 22.985   1.6088  52.082  2.4387 39.738  5.5208 12.34387       6.035415 
1 1 1 12 3  25 o 428.597 2.8443 1840.58  16.723  429.743 3.4123 427.452 4.5516 2.291046       5.688624 
1 1 1 12 3  27 o 48.081  2.4588 23.233   1.6043  48.631  2.8492 47.532  4.0082 1.099529       4.917664 
1 1 1 12 3  29 o 279.160 2.0900 784.935  8.0219  285.639 2.5062 272.680 3.3452 12.95877       4.179905 
1 1 1 12 3  31 o 16.339  4.7976 0.7166   1.7411  14.953  6.1004 17.724  7.4063 -2.771283      9.595213 
1 1 1 12 3  33 o 32.655  4.2883 11.081   1.8772  34.395  4.8677 30.916  7.0613 3.478380       8.576512 
1 1 1 12 3  35 o 73.896  1.9394 54.796   2.0140  74.686  2.5509 73.106  2.9219 1.580673       3.878747 
1 1 1 12 3  37 o 22.093  4.9911 4.2621   1.9880  27.244  6.9654 16.942  7.1503 10.30260       9.982126 
1 1 1 12 3  39 o 31.015  5.1227 10.389   2.2133  33.729  6.3938 28.300  8.0055 5.429218       10.24545 
1 1 1 12 3  41 o 18.283  5.3054 1.3673   2.1802  17.460  7.1864 19.107  7.8066 -1.647017      10.61070 
1 1 1 12 3  43 o 33.262  5.2769 12.149   2.4234  31.685  7.8622 34.840  7.0405 -3.154139      10.55381 
1 1 1 12 3  45 o 18.104  5.4091 -0.2489  2.5967  21.466  8.3034 14.742  6.9345 6.723369       10.81822 
1 1 1 12 3  47 f 20.290  5.4669 1.7394   2.6818  26.510  8.5921 14.070  6.7620 12.43995       10.93385 
1 1 1 12 3  49 o 19.844  5.9056 3.4828   2.8100  19.970  8.5606 19.717  8.1377 0.2527390      11.81125 
1 1 1 12 4  0  o 591.946 5.1212 3505.62  60.619  591.946 5.1212 ?       ?      0.000000       0.000000 
1 1 1 12 4  2  o 652.390 4.1188 4269.41  37.116  645.641 6.5186 659.138 5.0363 -13.49628      8.237502 
1 1 1 12 4  4  o 70.482  1.3641 50.119   1.2877  68.802  2.2656 72.161  1.5201 -3.359695      2.728296 
1 1 1 12 4  6  o 627.139 3.8967 3919.44  33.414  635.078 6.2452 619.200 4.6618 15.87793       7.793309 
1 1 1 12 4  8  o 526.479 3.1945 2772.08  23.782  530.485 4.5382 522.472 4.4973 8.013000       6.389097 
1 1 1 12 4  10 o 84.352  1.2581 71.051   1.4988  87.295  1.7856 81.409  1.7729 5.885788       2.516292 
1 1 1 12 4  12 o 347.914 2.2126 1210.04  10.865  345.708 3.0226 350.119 3.2319 -4.410370      4.425117 
1 1 1 12 4  14 o 75.888  1.4794 57.575   1.5871  77.409  2.0883 74.366  2.0961 3.042847       2.958769 
1 1 1 12 4  16 o 319.861 2.0994 1023.24  9.4962  321.918 2.9770 317.804 2.9611 4.114014       4.198865 
1 1 1 12 4  18 o 416.052 2.6306 1728.15  15.402  423.284 3.9008 408.820 3.5304 14.46475       5.261186 
1 1 1 12 4  20 o 274.957 2.0460 756.816  7.9146  273.209 3.0640 276.705 2.7123 -3.495331      4.092071 
1 1 1 12 4  22 o 236.277 2.2565 559.010  6.9229  236.708 2.3658 235.846 3.8432 0.8613129      4.512978 
1 1 1 12 4  24 o 258.010 1.9599 669.843  6.9986  264.446 2.4015 251.574 3.0980 12.87166       3.919798 
1 1 1 12 4  26 o 154.018 1.5522 237.888  3.2997  155.506 1.8934 152.529 2.4602 2.976868       3.104478 
1 1 1 12 4  28 o 215.891 1.7807 466.292  5.3163  215.565 2.1961 216.217 2.8036 -0.6519775     3.561339 
1 1 1 12 4  30 o 52.099  2.5788 26.588   1.8422  48.017  3.2463 56.180  4.0078 -8.162426      5.157567 
1 1 1 12 4  32 o 191.214 1.6700 366.660  4.4070  192.596 2.0384 189.831 2.6459 2.765015       3.340001 
1 1 1 12 4  34 o 84.135  1.8720 69.987   2.1593  80.354  2.2991 87.916  2.9550 -7.562698      3.744081 
1 1 1 12 4  36 o 51.511  2.8986 26.987   2.0719  54.999  3.5690 48.022  4.5684 6.977409       5.797212 
1 1 1 12 4  38 o 55.715  2.9512 31.461   2.3035  57.759  3.7982 53.670  4.5179 4.088783       5.902355 
1 1 1 12 4  40 o 105.121 1.8443 110.626  2.7274  102.244 2.4845 107.998 2.7263 -5.753189      3.688535 
1 1 1 12 4  42 o 22.285  5.8059 4.4014   2.4234  22.887  8.1669 21.683  8.2545 1.204468       11.61187 
1 1 1 12 4  44 f 19.230  5.4270 1.4172   2.4234  15.717  7.1552 22.743  8.1618 -7.026557      10.85409 
1 1 1 12 4  46 o 25.814  5.5154 7.2822   2.5084  19.050  8.0149 32.578  7.5789 -13.52751      11.03083 
1 1 1 12 4  48 o 14.498  4.8929 -4.8849  2.8277  14.851  7.0145 14.145  6.8234 0.7057180      9.785836 
1 1 1 12 5  1  o 399.316 2.6115 1593.10  14.730  391.071 3.6316 407.561 3.7538 -16.49017      5.222983 
1 1 1 12 5  3  o 219.523 1.7244 486.603  5.2558  208.490 2.7137 230.557 2.1284 -22.06735      3.448817 
1 1 1 12 5  5  o 348.512 2.4060 1224.09  11.637  335.462 3.7862 361.561 2.9700 -26.09869      4.812026 
1 1 1 12 5  7  o 250.338 1.8080 624.181  6.1989  253.795 2.8890 246.882 2.1748 6.912933       3.616027 
1 1 1 12 5  9  o 359.533 2.5394 1294.64  12.400  357.983 4.1285 361.083 2.9579 -3.099884      5.078778 
1 1 1 12 5  11 o 784.647 4.9145 6162.58  54.117  782.879 7.4334 786.414 6.4309 -3.535339      9.829095 
1 1 1 12 5  13 o 266.079 1.8027 706.437  6.7559  271.784 2.6552 260.374 2.4390 11.40958       3.605428 
1 1 1 12 5  15 o 157.607 1.3342 248.370  2.9707  158.175 1.9345 157.040 1.8381 1.134857       2.668496 
1 1 1 12 5  17 o 493.965 2.9761 2441.08  20.771  494.036 4.3121 493.895 4.1029 0.1411438      5.952132 
1 1 1 12 5  19 o 136.607 1.4322 184.016  2.7122  144.950 2.1906 128.264 1.8454 16.68692       2.864324 
1 1 1 12 5  21 o 182.656 1.7416 331.916  4.4765  172.641 2.4077 192.672 2.5170 -20.03085      3.483157 
1 1 1 12 5  23 o 245.558 2.0899 600.271  6.8017  242.601 2.3083 248.516 3.4846 -5.914597      4.179835 
1 1 1 12 5  25 o 78.281  1.7228 61.448   1.8226  78.803  1.9781 77.758  2.8213 1.045166       3.445674 
1 1 1 12 5  27 o 42.567  2.7744 17.893   1.6424  39.595  3.6452 45.540  4.1835 -5.945019      5.548830 
1 1 1 12 5  29 o 54.436  2.3462 30.098   1.7225  56.729  2.6460 52.143  3.8752 4.585289       4.692352 
1 1 1 12 5  31 o 87.023  1.6570 75.728   1.9794  86.736  1.9968 87.310  2.6449 -0.5740738     3.314057 
1 1 1 12 5  33 o 44.347  2.8309 19.765   1.7566  49.155  3.7584 39.539  4.2344 9.616383       5.661802 
1 1 1 12 5  35 o 34.302  4.2865 12.533   1.9612  40.509  4.7030 28.095  7.1678 12.41463       8.572945 
1 1 1 12 5  37 o 71.862  2.1338 51.881   2.1615  72.516  2.8661 71.208  3.1619 1.307426       4.267594 
1 1 1 12 5  39 o 93.205  1.8831 87.135   2.4771  91.428  2.5890 94.982  2.7352 -3.553940      3.766171 
1 1 1 12 5  41 o 19.893  5.4934 2.6290   2.2501  21.278  7.9996 18.507  7.5310 2.770605       10.98673 
1 1 1 12 5  43 o 83.711  2.1711 70.911   2.5688  82.873  3.1349 84.550  3.0044 -1.677002      4.342113 
1 1 1 12 5  45 o 46.962  3.7833 23.252   2.5110  45.701  5.4321 48.224  5.2676 -2.523087      7.566700 
1 1 1 12 5  47 o 19.250  5.6238 1.7772   2.6507  23.226  8.7566 15.274  7.0590 7.952696       11.24752 
1 1 1 12 5  49 o 15.384  5.2191 -5.2611  3.2069  15.687  7.7954 15.081  6.9417 0.6054287      10.43821 
1 1 1 12 6  0  o 367.995 3.3108 1354.63  24.363  367.995 3.3108 ?       ?      0.000000       0.000000 
1 1 1 12 6  2  o 251.609 1.8088 632.547  6.4308  257.252 2.5808 245.965 2.5350 11.28780       3.617542 
1 1 1 12 6  4  o 318.757 2.1195 1015.96  9.5525  315.633 2.9814 321.880 3.0132 -6.247559      4.238930 
1 1 1 12 6  6  o 458.269 2.9874 2096.71  18.621  460.831 4.8358 455.708 3.5092 5.123474       5.974885 
1 1 1 12 6  8  o 596.177 3.7293 3550.50  30.380  598.869 5.9962 593.485 4.4358 5.383911       7.458625 
1 1 1 12 6  10 o 732.951 4.4136 5379.13  44.792  730.482 6.9391 735.420 5.4559 -4.938354      8.827133 
1 1 1 12 6  12 o 307.065 2.0583 940.634  8.5780  309.380 3.3403 304.749 2.4059 4.631317       4.116518 
1 1 1 12 6  14 o 354.862 2.2970 1263.01  11.302  350.478 3.6075 359.246 2.8445 -8.768036      4.593999 
1 1 1 12 6  16 o 102.513 1.2984 105.304  1.8723  100.682 1.9496 104.343 1.7152 -3.661385      2.596704 
1 1 1 12 6  18 o 179.906 2.0257 314.879  4.6704  189.486 3.4429 170.327 2.1354 19.15916       4.051319 
1 1 1 12 6  20 o 352.994 2.4936 1247.25  12.440  357.232 3.4423 348.756 3.6087 8.476379       4.987213 
1 1 1 12 6  22 o 113.709 1.5489 129.601  2.4771  111.601 2.3279 115.818 2.0438 -4.217010      3.097749 
1 1 1 12 6  24 o 51.711  1.9606 25.772   1.3856  44.293  2.6068 59.129  2.9291 -14.83614      3.921155 
1 1 1 12 6  26 o 183.876 1.6614 339.584  4.2090  186.604 2.0110 181.148 2.6452 5.456528       3.322850 
1 1 1 12 6  28 o 188.502 1.6255 355.922  4.2451  189.328 2.0126 187.676 2.5532 1.651459       3.251046 
1 1 1 12 6  30 o 203.270 1.7093 414.431  4.8290  205.333 2.1369 201.207 2.6684 4.125580       3.418585 
1 1 1 12 6  32 o 63.873  2.0776 40.832   1.8723  63.155  2.8338 64.591  3.0390 -1.435848      4.155217 
1 1 1 12 6  34 o 89.400  1.7599 79.981   2.2133  88.603  2.3457 90.197  2.6243 -1.593552      3.519819 
1 1 1 12 6  36 o 78.453  1.8012 61.824   1.9880  80.043  2.3802 76.863  2.7040 3.180000       3.602332 
1 1 1 12 6  38 o 19.790  5.2086 2.9803   1.9913  21.867  7.5706 17.712  7.1558 4.155325       10.41725 
1 1 1 12 6  40 o 33.002  4.5293 11.590   2.0491  37.958  5.3234 28.047  7.3294 9.910807       9.058651 
1 1 1 12 6  42 o 27.424  5.4843 8.2145   2.2133  28.417  7.9949 26.431  7.5095 1.986204       10.96868 
1 1 1 12 6  44 o 24.524  5.7693 6.3506   2.4248  27.803  8.1806 21.244  8.1374 6.559557       11.53862 
1 1 1 12 6  46 o 17.379  5.3682 0.5563   2.4562  17.687  7.9870 17.070  7.1748 0.6165333      10.73638 
1 1 1 12 6  48 o 16.222  5.2588 -0.8877  2.5948  17.984  8.1621 14.459  6.6332 3.525636       10.51755 
1 1 1 12 7  1  f 348.087 2.3046 1211.82  11.344  349.016 3.2421 347.158 3.2761 1.857819       4.609145 
1 1 1 12 7  3  o 664.800 4.0067 4420.24  37.656  669.233 5.7367 660.367 5.5952 8.866028       8.013474 
1 1 1 12 7  5  o 472.260 2.9262 2230.28  19.533  469.903 4.0667 474.617 4.2087 -4.714752      5.852455 
1 1 1 12 7  7  f 729.865 4.5452 5330.56  45.345  729.404 7.3135 730.325 5.3991 -0.9208984     9.090494 
1 1 1 12 7  9  o 485.504 3.0522 2357.46  20.257  485.671 4.9094 485.338 3.6281 0.3332520      6.104492 
1 1 1 12 7  11 o 174.033 1.4365 304.239  3.4391  171.113 2.2943 176.954 1.7292 -5.841019      2.872923 
1 1 1 12 7  13 o 410.569 2.6319 1683.03  14.845  413.247 4.1911 407.892 3.1846 5.355194       5.263771 
1 1 1 12 7  15 o 197.884 1.5660 389.547  4.1790  200.812 2.5587 194.956 1.8064 5.855667       3.132089 
1 1 1 12 7  17 o 255.519 2.1662 651.880  7.1728  256.505 3.6912 254.533 2.2682 1.972427       4.332369 
1 1 1 12 7  19 o 352.677 2.6320 1248.24  12.706  349.024 4.2345 356.331 3.1270 -7.306671      5.263935 
1 1 1 12 7  21 o 343.925 2.5273 1184.92  12.072  345.637 3.1569 342.214 3.9476 3.423584       5.054687 
1 1 1 12 7  23 o 289.191 2.0862 841.270  8.4057  297.460 2.6201 280.923 3.2471 16.53781       4.172342 
1 1 1 12 7  25 o 144.303 1.4080 206.997  2.7921  141.070 1.7188 147.536 2.2305 -6.465729      2.815914 
1 1 1 12 7  27 o 57.489  1.8918 33.108   1.5163  57.745  2.3995 57.232  2.9253 0.5120888      3.783528 
1 1 1 12 7  29 o 14.063  4.1774 -0.1970  1.4716  12.202  5.5574 15.925  6.2385 -3.722792      8.354852 
1 1 1 12 7  31 o 130.336 1.4818 170.723  2.7024  133.865 1.8976 126.808 2.2764 7.056236       2.963567 
1 1 1 12 7  33 o 97.019  1.5596 94.366   2.1345  98.718  2.1053 95.320  2.3015 3.398605       3.119232 
1 1 1 12 7  35 o 21.518  4.8756 4.5618   1.6909  20.593  7.2283 22.443  6.5450 -1.850071      9.751162 
1 1 1 12 7  37 o 95.411  1.7418 91.568   2.3292  97.425  2.2518 93.398  2.6580 4.026955       3.483606 
1 1 1 12 7  39 o 50.899  2.9492 26.089   2.0594  51.606  4.6986 50.191  3.5658 1.414974       5.898429 
1 1 1 12 7  41 o 69.712  2.2749 49.305   2.2133  67.106  3.5273 72.317  2.8740 -5.210205      4.549874 
1 1 1 12 7  43 o 46.465  3.6183 22.551   2.1485  45.174  6.2622 47.757  3.6266 -2.583309      7.236557 
1 1 1 12 7  45 o 15.369  4.9285 -1.2301  2.1035  17.817  7.9105 12.922  5.8809 4.895326       9.857057 
1 1 1 12 7  47 o 15.651  4.9492 -0.4326  2.2362  15.805  7.2372 15.498  6.7529 0.3071585      9.898396 
1 1 1 12 7  49 o 17.726  5.9312 0.1155   3.0837  20.373  9.7359 15.079  6.7772 5.293774       11.86246 
1 1 1 12 8  0  o 923.635 7.5893 8535.49  140.174 923.635 7.5893 ?       ?      0.000000       0.000000 
1 1 1 12 8  2  o 642.013 3.8866 4122.38  35.233  640.078 5.3215 643.948 5.6661 -3.869751      7.773272 
1 1 1 12 8  4  o 558.001 3.4972 3114.04  27.584  560.393 5.0274 555.609 4.8629 4.783752       6.994485 
1 1 1 12 8  6  o 824.014 4.7958 6794.12  55.884  826.499 6.7407 821.529 6.8236 4.970398       9.591594 
1 1 1 12 8  8  o 736.785 4.3661 5431.19  45.491  738.365 6.2004 735.204 6.1485 3.160828       8.732112 
1 1 1 12 8  10 o 639.541 4.0011 4100.56  35.329  634.193 6.3359 644.890 4.8879 -10.69702      8.002206 
1 1 1 12 8  12 o 302.540 2.0909 918.620  8.8454  296.163 3.2164 308.917 2.6725 -12.75421      4.181793 
1 1 1 12 8  14 o 271.342 1.9602 734.929  7.2684  273.122 3.1496 269.562 2.3345 3.559235       3.920378 
1 1 1 12 8  16 o 510.227 3.6952 2597.61  24.176  513.211 6.3446 507.243 3.7901 5.967590       7.390411 
1 1 1 12 8  18 o 516.495 3.3889 2664.82  24.353  521.305 5.2493 511.684 4.2875 9.621368       6.777755 
1 1 1 12 8  20 o 357.461 2.7477 1278.06  13.858  355.026 3.7401 359.896 4.0264 -4.869568      5.495485 
1 1 1 12 8  22 o 286.340 2.1245 823.966  8.2402  282.592 3.4730 290.087 2.4479 -7.494873      4.249015 
1 1 1 12 8  24 o 93.135  1.4063 87.473   1.7815  90.713  2.2911 95.557  1.6312 -4.843704      2.812515 
1 1 1 12 8  26 f 107.497 1.5205 115.697  2.3078  106.394 2.2248 108.599 2.0733 -2.205193      3.041060 
1 1 1 12 8  28 o 38.598  2.3456 15.013   1.2675  40.321  3.0068 36.876  3.6009 3.445908       4.691168 
1 1 1 12 8  30 o 171.218 1.5265 295.143  3.6549  178.037 1.9456 164.399 2.3528 13.63748       3.053091 
1 1 1 12 8  32 o 110.116 1.3164 121.065  2.0393  107.895 1.7658 112.338 1.9529 -4.442909      2.632813 
1 1 1 12 8  34 o 53.413  1.9211 28.608   1.4410  58.110  2.5831 48.716  2.8442 9.394825       3.842120 
1 1 1 12 8  36 o 181.502 1.6533 331.880  4.2073  189.105 2.1370 173.899 2.5231 15.20590       3.306509 
1 1 1 12 8  38 f 65.841  1.7657 43.279   1.6327  68.493  2.6130 63.188  2.3755 5.304440       3.531379 
1 1 1 12 8  40 o 18.268  4.5509 2.3230   1.6635  14.816  6.5824 21.721  6.2862 -6.904301      9.101886 
1 1 1 12 8  42 o 19.962  5.0123 3.1536   1.7590  25.225  7.9812 14.700  6.0659 10.52539       10.02469 
1 1 1 12 8  44 o 16.947  4.8497 1.6076   1.7764  16.895  7.3427 16.998  6.3373 -0.1021442     9.699302 
1 1 1 12 8  46 o 32.736  4.3873 12.406   1.8991  29.441  7.4434 36.031  4.6466 -6.590557      8.774658 
1 1 1 12 8  48 o 19.058  5.2525 3.6980   2.0183  18.976  7.9517 19.141  6.8647 -0.1648769     10.50495 
1 1 1 12 9  1  o 274.931 1.8856 755.565  7.3279  279.204 2.6881 270.658 2.6450 8.545380       3.771146 
1 1 1 12 9  3  o 515.299 3.2400 2655.31  23.603  520.002 4.6297 510.596 4.5340 9.405701       6.480074 
1 1 1 12 9  5  o 645.584 3.8128 4167.41  34.788  652.978 5.4728 638.191 5.3101 14.78687       7.625574 
1 1 1 12 9  7  o 225.814 1.6728 509.183  5.3214  229.098 2.4696 222.529 2.2571 6.568481       3.345648 
1 1 1 12 9  9  o 812.933 4.6674 6609.03  53.612  802.776 6.4796 823.089 6.7195 -20.31274      9.334731 
1 1 1 12 9  11 f 438.673 2.8704 1931.47  17.507  431.460 4.4825 445.885 3.5865 -14.42484      5.740759 
1 1 1 12 9  13 o 72.314  1.6185 52.620   1.4695  71.513  2.8255 73.114  1.5792 -1.601288      3.236926 
1 1 1 12 9  15 o 393.267 3.2801 1551.07  16.131  391.670 5.7339 394.865 3.1873 -3.195465      6.560216 
1 1 1 12 9  17 o 430.573 2.7313 1856.89  16.305  428.641 4.2830 432.505 3.3905 -3.863770      5.462586 
1 1 1 12 9  19 o 304.326 2.5149 926.159  10.815  308.427 3.6126 300.224 3.4998 8.203094       5.029884 
1 1 1 12 9  21 f 160.128 1.5121 254.141  3.2231  163.742 2.5033 156.515 1.6968 7.226700       3.024179 
1 1 1 12 9  23 o 43.536  2.9556 19.450   1.2680  42.386  5.5844 44.687  1.9379 -2.300724      5.911120 
1 1 1 12 9  25 o 177.546 1.4807 315.461  3.6507  177.357 2.3112 177.735 1.8515 -0.3777924     2.961322 
1 1 1 12 9  27 o 23.053  3.9843 5.4921   1.2375  21.629  6.8863 24.476  4.0098 -2.847057      7.968669 
1 1 1 12 9  29 o 182.382 1.6794 332.778  4.3230  183.499 2.4540 181.265 2.2932 2.234436       3.358710 
1 1 1 12 9  31 o 171.243 2.0662 294.376  4.7334  172.195 2.3134 170.291 3.4241 1.903427       4.132348 
1 1 1 12 9  33 o 66.432  3.1146 44.084   2.7712  65.332  3.5347 67.533  5.1293 -2.200737      6.229262 
1 1 1 12 9  35 o 97.373  2.1523 95.301   2.9160  98.235  2.7034 96.511  3.3499 1.724113       4.304672 
1 1 1 12 9  37 o 25.318  6.2388 4.0108   2.9280  16.451  7.3113 34.185  10.111 -17.73475      12.47754 
1 1 1 12 9  39 o 25.658  5.0772 6.8693   1.7531  27.000  4.8833 24.317  8.9031 2.683346       10.15435 
1 1 1 12 9  41 o 65.821  3.1221 44.269   2.2596  66.376  2.4354 65.265  5.7498 1.110870       6.244268 
1 1 1 12 9  43 o 30.112  5.8967 10.121   2.3159  33.432  4.6626 26.792  10.833 6.639452       11.79337 
1 1 1 12 9  45 f 23.330  6.4108 5.2292   2.4647  18.767  6.9530 27.892  10.773 -9.124487      12.82156 
1 1 1 12 9  47 o 27.158  6.5405 9.6156   2.6899  25.646  7.3015 28.669  10.854 -3.022840      13.08108 
1 1 1 12 10 0  o 413.060 3.8444 1706.80  31.753  413.060 3.8444 ?       ?      0.000000       0.000000 
1 1 1 12 10 2  o 300.777 2.1037 904.438  8.9452  306.198 2.9790 295.355 2.9711 10.84341       4.207375 
1 1 1 12 10 4  o 269.970 1.8462 728.570  7.0263  271.316 2.7237 268.625 2.4931 2.691956       3.692373 
1 1 1 12 10 6  o 364.871 2.3547 1329.97  12.137  355.514 3.2965 374.228 3.3631 -18.71393      4.709303 
1 1 1 12 10 8  o 341.256 2.1832 1164.71  10.535  340.622 3.0678 341.890 3.1071 -1.267944      4.366364 
1 1 1 12 10 10 o 994.383 5.6100 9901.48  78.891  994.116 7.9213 994.651 7.9461 -0.5349121     11.21993 
1 1 1 12 10 12 o 472.752 3.0606 2242.45  19.988  467.128 4.8447 478.375 3.7412 -11.24734      6.121109 
1 1 1 12 10 14 o 103.069 2.0889 109.553  2.2801  99.334  3.8940 106.804 1.5135 -7.469841      4.177803 
1 1 1 12 10 16 o 308.371 2.2512 946.674  9.5433  313.754 3.5697 302.988 2.7438 10.76639       4.502361 
1 1 1 12 10 18 o 329.845 2.2983 1095.11  10.474  321.452 3.6459 338.237 2.7992 -16.78568      4.596520 
1 1 1 12 10 20 o 191.848 1.7445 367.037  4.3581  193.125 2.9595 190.571 1.8480 2.553955       3.489057 
1 1 1 12 10 22 o 84.627  1.5990 73.007   1.6035  82.229  2.8786 87.025  1.3931 -4.795280      3.197966 
1 1 1 12 10 24 o 164.134 1.9706 265.750  4.2359  169.289 3.3080 158.978 2.1426 10.31078       3.941221 
1 1 1 12 10 26 o 19.285  5.1496 2.5793   1.9476  20.183  7.1115 18.387  7.4498 1.796431       10.29919 
1 1 1 12 10 28 o 75.413  2.5211 56.269   2.6147  72.030  3.1259 78.797  3.9564 -6.767014      5.042269 
1 1 1 12 10 30 o 32.121  5.4157 11.128   2.6545  40.656  5.5380 23.586  9.3086 17.07053       10.83138 
1 1 1 12 10 32 o 172.589 2.4498 297.739  5.9250  176.684 3.6923 168.495 3.2208 8.188690       4.899663 
1 1 1 12 10 34 o 47.821  4.0955 22.467   2.6942  39.997  5.7736 55.645  5.8101 -15.64729      8.190964 
1 1 1 12 10 36 o 87.284  2.6868 76.733   3.2411  87.392  3.3031 87.175  4.2384 0.2163696      5.373508 
1 1 1 12 10 38 o 79.617  3.4385 64.256   3.5961  79.551  3.7012 79.683  5.7962 -0.1319275     6.877091 
1 1 1 12 10 40 o 48.550  4.0349 24.185   2.7663  47.061  5.6431 50.040  5.7686 -2.979671      8.069771 
1 1 1 12 10 42 o 71.926  3.5723 52.874   3.4861  69.721  4.2230 74.132  5.7630 -4.410263      7.144648 
1 1 1 12 10 44 o 29.345  6.9765 10.096   3.6430  33.213  9.2326 25.476  10.462 7.736610       13.95293 
1 1 1 12 10 46 o 21.644  6.6038 3.4784   3.6371  21.069  8.9063 22.219  9.7528 -1.150373      13.20753 
1 1 1 12 10 48 o 26.449  7.1218 11.498   3.7056  23.740  9.5411 29.158  10.576 -5.417564      14.24354 
1 1 1 12 11 1  o 252.093 1.7976 635.497  6.4062  251.234 2.5048 252.951 2.5791 -1.716705      3.595187 
1 1 1 12 11 3  o 360.710 2.3701 1298.74  12.065  350.790 3.2751 370.630 3.4269 -19.84018      4.740244 
1 1 1 12 11 5  o 39.673  2.1326 15.872   1.1828  42.438  2.7208 36.909  3.2848 5.529995       4.265271 
1 1 1 12 11 7  o 560.858 3.3851 3147.36  26.844  563.526 4.7229 558.190 4.8508 5.336426       6.770180 
1 1 1 12 11 9  o 197.969 1.6717 391.175  4.6507  194.953 2.2210 200.985 2.4990 -6.032745      3.343367 
1 1 1 12 11 11 o 706.185 4.2406 4989.35  42.307  700.772 5.8575 711.598 6.1335 -10.82629      8.481135 
1 1 1 12 11 13 o 520.650 3.4630 2713.85  25.397  519.236 5.1480 522.064 4.6335 -2.828064      6.926098 
1 1 1 12 11 15 o 382.693 2.9903 1467.53  14.948  381.518 5.0693 383.868 3.1734 -2.350098      5.980645 
1 1 1 12 11 17 o 113.027 1.5410 128.718  2.2954  111.081 2.5986 114.974 1.6570 -3.892166      3.082010 
1 1 1 12 11 19 o 180.812 1.5942 327.808  3.9025  179.542 2.6046 182.083 1.8390 -2.541260      3.188369 
1 1 1 12 11 21 o 138.297 1.5914 184.290  2.6546  146.147 2.8047 130.447 1.5047 15.70032       3.182864 
1 1 1 12 11 23 o 192.447 1.9286 370.717  5.1787  192.223 2.9734 192.671 2.4571 -0.4473419     3.857212 
1 1 1 12 11 25 o 50.092  3.5014 25.231   2.4125  50.573  4.2238 49.612  5.5856 0.9608498      7.002844 
1 1 1 12 11 27 o 58.728  3.0915 34.036   2.4090  56.504  3.4739 60.952  5.1148 -4.447983      6.182983 
1 1 1 12 11 29 o 123.639 2.2622 153.179  3.9545  122.773 3.2446 124.505 3.1531 -1.731110      4.524357 
1 1 1 12 11 31 o 21.620  6.1107 2.4086   2.6915  20.711  7.7120 22.528  9.4810 -1.816900      12.22150 
1 1 1 12 11 33 o 20.372  6.0825 0.6792   2.6896  16.194  7.0008 24.550  9.9487 -8.356216      12.16504 
1 1 1 12 11 35 o 81.597  3.5507 66.339   3.4767  80.008  3.2471 83.186  6.3155 -3.178642      7.101387 
1 1 1 12 11 37 o 92.283  2.3528 85.503   3.0206  90.981  2.9824 93.585  3.6397 -2.604347      4.705548 
1 1 1 12 11 39 o 26.014  6.1389 5.5186   3.1083  31.550  8.1712 20.478  9.1638 11.07265       12.27773 
1 1 1 12 11 41 o 26.420  6.9879 6.5985   3.4072  24.663  8.9970 28.178  10.695 -3.514257      13.97581 
1 1 1 12 11 43 o 37.071  6.2176 16.497   3.3218  43.261  6.8060 30.880  10.407 12.38086       12.43518 
1 1 1 12 11 45 o 27.556  7.4473 8.3794   4.7743  32.633  10.475 22.479  10.589 10.15353       14.89451 
1 1 1 12 11 47 o 23.530  6.9644 6.7180   3.8230  23.243  9.2656 23.817  10.400 -0.5748272     13.92878 
1 1 1 12 12 0  o 210.715 2.3295 444.192  9.8145  210.715 2.3295 ?       ?      0.000000       0.000000 
1 1 1 12 12 2  o 335.181 2.2713 1122.72  10.758  343.938 3.2228 326.425 3.2012 17.51315       4.542522 
1 1 1 12 12 4  o 516.360 3.1031 2667.31  22.660  517.276 4.3974 515.444 4.3794 1.832092       6.206115 
1 1 1 12 12 6  o 373.126 2.3859 1392.83  12.581  374.675 3.2974 371.577 3.4492 3.098114       4.771836 
1 1 1 12 12 8  o 585.801 3.5614 3433.93  29.498  584.166 5.0996 587.435 4.9729 -3.268982      7.122859 
1 1 1 12 12 10 o 130.771 1.4221 170.353  2.6011  133.728 2.1586 127.815 1.8519 5.912857       2.844121 
1 1 1 12 12 12 o 409.737 2.5503 1678.30  14.761  403.609 3.5331 415.866 3.6788 -12.25797      5.100649 
1 1 1 12 12 14 o 587.797 3.7566 3457.24  30.953  589.737 5.6975 585.856 4.8976 3.881042       7.513186 
1 1 1 12 12 16 o 249.610 2.0382 626.518  7.0784  243.056 3.1829 256.165 2.5467 -13.10841      4.076305 
1 1 1 12 12 18 o 136.424 1.5609 180.863  2.7375  144.093 2.6444 128.755 1.6590 15.33804       3.121708 
1 1 1 12 12 20 o 218.708 1.8656 478.129  5.5071  219.294 3.0539 218.122 2.1439 1.172211       3.731280 
1 1 1 12 12 22 o 345.044 2.5480 1191.41  12.270  346.064 3.9204 344.024 3.2556 2.040009       5.095923 
1 1 1 12 12 24 o 205.484 2.2291 422.925  6.4475  206.187 2.9680 204.782 3.3267 1.404236       4.458218 
1 1 1 12 12 26 o 17.396  5.4064 -1.0145  2.3975  15.872  6.7777 18.921  8.4249 -3.049798      10.81278 
1 1 1 12 12 28 o 125.509 2.5390 157.848  4.4070  125.384 3.1310 125.634 3.9979 -0.2501678     5.078041 
1 1 1 12 12 30 o 201.508 2.2909 409.359  6.2398  204.830 2.6212 198.186 3.7578 6.644150       4.581719 
1 1 1 12 12 32 o 36.791  5.8566 14.271   2.8720  37.031  6.8021 36.550  9.5358 0.4806633      11.71323 
1 1 1 12 12 34 f 18.896  5.3003 -1.0989  2.5084  12.857  6.2130 24.934  8.5889 -12.07707      10.60052 
1 1 1 12 12 36 o 62.092  3.8078 37.663   3.1245  56.329  4.4071 67.856  6.2109 -11.52676      7.615665 
1 1 1 12 12 38 o 73.906  3.3315 55.815   3.3941  76.095  4.0211 71.718  5.3130 4.377213       6.663065 
1 1 1 12 12 40 o 43.392  6.0735 21.004   3.5040  47.293  6.4699 39.491  10.281 7.802017       12.14706 
1 1 1 12 12 42 o 24.731  6.8635 5.4850   3.3666  22.596  8.7579 26.865  10.570 -4.269466      13.72691 
1 1 1 12 12 44 o 19.757  5.9216 1.0932   3.1250  22.733  8.8395 16.781  7.8819 5.951767       11.84318 
1 1 1 12 12 46 o 20.664  6.5415 2.0581   3.9494  22.127  9.6987 19.201  8.7808 2.925985       13.08308 
1 1 1 12 13 1  o 258.447 1.8952 667.503  6.9202  254.104 2.6355 262.790 2.7241 -8.686646      3.790374 
1 1 1 12 13 3  o 271.747 1.9839 738.329  7.6167  281.168 2.7720 262.327 2.8390 18.84189       3.967832 
1 1 1 12 13 5  o 383.804 2.5328 1474.11  13.740  390.077 3.5077 377.531 3.6548 12.54611       5.065690 
1 1 1 12 13 7  o 445.096 2.8345 1982.12  17.839  440.809 4.0469 449.383 3.9697 -8.573669      5.668904 
1 1 1 12 13 9  o 216.811 1.7002 469.864  5.1549  216.016 2.1915 217.606 2.6000 -1.589996      3.400411 
1 1 1 12 13 11 o 232.952 1.9349 544.172  6.3374  227.831 2.9141 238.073 2.5462 -10.24149      3.869782 
1 1 1 12 13 13 o 444.045 2.9004 1970.41  18.171  436.266 3.9700 451.823 4.2294 -15.55682      5.800735 
1 1 1 12 13 15 o 267.461 1.9854 715.539  7.4941  266.925 2.7036 267.996 2.9082 -1.070801      3.970762 
1 1 1 12 13 17 f 169.908 1.5373 288.918  3.5263  169.661 2.5181 170.154 1.7643 -0.4936829     3.074663 
1 1 1 12 13 19 o 122.021 1.6034 147.001  2.5365  125.321 2.7180 118.722 1.7020 6.598938       3.206897 
1 1 1 12 13 21 o 270.769 2.0903 737.573  7.6270  266.775 3.4409 274.762 2.3743 -7.987427      4.180568 
1 1 1 12 13 23 o 221.242 2.8487 490.469  8.8454  221.197 3.7323 221.288 4.3047 -0.9150696E-01 5.697429 
1 1 1 12 13 25 o 248.403 2.4139 619.042  8.1785  249.665 2.8442 247.142 3.9011 2.522964       4.827880 
1 1 1 12 13 27 o 94.857  2.4341 89.294   3.1083  92.370  2.8126 97.343  3.9736 -4.973541      4.868279 
1 1 1 12 13 29 o 24.133  5.8380 3.8750   2.8300  29.673  8.1292 18.594  8.3813 11.07844       11.67603 
1 1 1 12 13 31 o 105.921 2.2320 112.894  3.2087  107.084 2.5878 104.758 3.6373 2.326073       4.463921 
1 1 1 12 13 33 o 62.978  3.6154 38.961   3.1083  57.238  4.5389 68.719  5.6288 -11.48135      7.230829 
1 1 1 12 13 35 o 40.399  6.1102 16.962   3.2408  35.998  7.6118 44.800  9.5602 -8.801304      12.22033 
1 1 1 12 13 37 o 29.908  6.7995 9.1902   3.1880  27.245  8.8754 32.571  10.304 -5.325228      13.59906 
1 1 1 12 13 39 o 85.627  4.0654 73.020   4.0575  81.763  3.6011 89.491  7.2898 -7.728622      8.130772 
1 1 1 12 13 41 o 51.046  5.7635 29.399   3.6135  54.936  5.3596 47.155  10.205 7.780792       11.52703 
1 1 1 12 13 43 o 29.341  7.1507 9.2718   4.0281  21.346  9.3538 37.336  10.818 -15.98939      14.30135 
1 1 1 12 13 45 o 27.247  7.3602 10.473   3.8617  25.865  9.6507 28.629  11.115 -2.764570      14.72037 
1 1 1 12 13 47 o 21.324  6.6794 3.0313   4.3176  17.818  8.5908 24.829  10.230 -7.010536      13.35881 
1 1 1 12 14 0  o 230.917 2.4508 533.446  11.316  230.917 2.4508 ?       ?      0.000000       0.000000 
1 1 1 12 14 2  o 469.301 2.9830 2200.06  19.759  479.458 4.3228 459.144 4.1117 20.31409       5.965921 
1 1 1 12 14 4  o 396.439 2.5846 1571.86  14.487  402.079 3.6614 390.798 3.6489 11.28116       5.169181 
1 1 1 12 14 6  f 178.042 1.6516 313.842  4.0765  185.723 2.5490 170.362 2.1011 15.36047       3.303297 
1 1 1 12 14 8  o 553.207 3.3171 3062.70  25.943  555.067 4.7532 551.347 4.6282 3.720215       6.634298 
1 1 1 12 14 10 o 443.573 2.9460 1969.70  18.303  444.658 3.8172 442.488 4.4882 2.169739       5.891935 
1 1 1 12 14 12 o 46.573  2.2504 21.811   1.4716  49.114  2.9387 44.031  3.4090 5.083271       4.500806 
1 1 1 12 14 14 o 279.382 2.2063 782.462  8.6671  284.008 2.9069 274.755 3.3199 9.251984       4.412691 
1 1 1 12 14 16 o 241.576 1.8241 582.323  6.2158  249.827 2.6344 233.326 2.5238 16.50133       3.648256 
1 1 1 12 14 18 o 212.087 2.0197 453.570  5.6391  208.262 3.4097 215.912 2.1658 -7.650162      4.039403 
1 1 1 12 14 20 o 50.568  2.9678 27.170   1.5987  46.887  5.5409 54.249  2.1284 -7.361919      5.935586 
1 1 1 12 14 22 o 130.027 1.8034 167.866  3.1022  132.446 3.0077 127.608 1.9906 4.838028       3.606749 
1 1 1 12 14 24 o 150.301 2.0582 226.111  4.2368  150.137 2.4610 150.466 3.2997 -0.3287659     4.116403 
1 1 1 12 14 26 o 183.723 2.4793 336.924  6.3801  179.252 3.2529 188.195 3.7426 -8.943146      4.958685 
1 1 1 12 14 28 o 175.216 2.2480 305.696  5.3283  171.883 2.6199 178.548 3.6538 -6.664841      4.495972 
1 1 1 12 14 30 o 78.856  3.2587 61.440   3.2630  76.315  3.3286 81.397  5.6032 -5.082664      6.517315 
1 1 1 12 14 32 o 146.984 2.1663 216.483  4.3187  146.458 2.5228 147.510 3.5224 -1.052444      4.332666 
1 1 1 12 14 34 o 21.763  6.1333 1.7619   3.0106  23.836  8.4649 19.690  8.8779 4.145882       12.26670 
1 1 1 12 14 36 o 95.280  2.8109 90.805   3.7019  91.632  3.5282 98.927  4.3769 -7.294762      5.621879 
1 1 1 12 14 38 o 36.278  6.7043 14.393   3.3189  34.499  8.0119 38.057  10.752 -3.558231      13.40859 
1 1 1 12 14 40 o 24.729  6.8195 5.1755   3.3475  22.635  8.8316 26.824  10.394 -4.189182      13.63903 
1 1 1 12 14 42 o 35.248  7.0274 14.596   3.6625  26.708  9.3094 43.788  10.530 -17.07916      14.05474 
1 1 1 12 14 44 o 21.101  6.5359 2.5062   3.6430  20.060  8.6623 22.141  9.7896 -2.081503      13.07183 
1 1 1 12 14 46 o 19.386  6.1516 2.6106   3.3795  18.460  8.0334 20.311  9.3184 -1.851238      12.30320 
1 1 1 12 15 1  o 258.303 1.8652 667.411  6.8105  258.012 2.6851 258.595 2.5897 -0.5834351     3.730486 
1 1 1 12 15 3  o 311.606 2.1490 971.461  9.4681  307.984 3.0742 315.228 3.0036 -7.244202      4.297939 
1 1 1 12 15 5  o 260.375 1.8533 678.980  6.8080  265.099 2.5044 255.650 2.7325 9.449158       3.706567 
1 1 1 12 15 7  o 327.055 2.3491 1070.69  10.843  329.469 3.1892 324.641 3.4500 4.828278       4.698199 
1 1 1 12 15 9  o 509.984 3.4962 2608.28  25.002  516.213 4.5406 503.754 5.3176 12.45874       6.992457 
1 1 1 12 15 11 o 452.704 3.1035 2048.74  19.704  456.584 4.6911 448.824 4.0647 7.759369       6.207098 
1 1 1 12 15 13 o 185.043 1.6355 342.930  4.2722  178.647 2.3914 191.439 2.2316 -12.79175      3.270931 
1 1 1 12 15 15 o 65.767  1.7275 43.652   1.5871  70.859  2.1998 60.675  2.6642 10.18390       3.455039 
1 1 1 12 15 17 o 126.891 1.4657 161.035  2.6189  126.621 1.9606 127.162 2.1792 -0.5409164     2.931363 
1 1 1 12 15 19 o 72.830  2.4056 55.613   1.9074  68.562  4.4629 77.099  1.7971 -8.537903      4.811121 
1 1 1 12 15 21 o 212.269 1.7752 446.468  5.0893  218.180 2.8842 206.358 2.0703 11.82239       3.550331 
1 1 1 12 15 23 o 147.068 1.7700 216.404  3.5455  147.243 2.8622 146.894 2.0830 0.3495331      3.539966 
1 1 1 12 15 25 o 91.812  2.7072 83.048   3.2474  88.411  2.9385 95.212  4.5476 -6.801193      5.414405 
1 1 1 12 15 27 o 148.276 2.0818 219.803  4.3265  146.102 2.7265 150.449 3.1466 -4.346680      4.163554 
1 1 1 12 15 29 o 81.973  3.0899 65.102   3.3410  75.082  3.5370 88.863  5.0675 -13.78128      6.179802 
1 1 1 12 15 31 o 44.550  4.9833 20.647   2.9505  34.427  8.0227 54.672  5.9134 -20.24490      9.966538 
1 1 1 12 15 33 o 180.552 3.0956 321.652  6.6425  174.905 2.8057 186.200 5.5190 -11.29532      6.191200 
1 1 1 12 15 35 o 52.984  4.3474 29.043   3.1727  55.343  5.2158 50.624  6.9565 4.719372       8.694716 
1 1 1 12 15 37 o 50.006  5.0361 25.276   3.4453  44.978  6.4179 55.034  7.7629 -10.05601      10.07228 
1 1 1 12 15 39 o 35.463  6.8605 14.369   3.3699  34.856  7.9568 36.071  11.178 -1.215508      13.72097 
1 1 1 12 15 41 o 19.867  6.1681 -1.9343  3.4391  14.566  7.0261 25.168  10.140 -10.60248      12.33621 
1 1 1 12 15 43 o 20.893  6.6693 0.7891   4.1519  19.436  8.8527 22.350  9.9775 -2.914440      13.33867 
1 1 1 12 15 45 o 18.353  6.1114 -2.6452  4.0937  17.720  8.3138 18.986  8.9597 -1.266052      12.22275 
1 1 1 12 16 0  o 91.820  2.5824 84.520   4.7340  91.820  2.5824 ?       ?      0.000000       0.000000 
1 1 1 12 16 2  o 257.677 1.8615 663.978  6.7805  255.561 2.5979 259.793 2.6667 -4.231384      3.722941 
1 1 1 12 16 4  f 535.970 3.3823 2875.57  25.627  535.407 4.8631 536.533 4.7022 -1.126099      6.764652 
1 1 1 12 16 6  o 457.787 3.1342 2095.81  20.177  460.919 4.6845 454.656 4.1650 6.263702       6.268302 
1 1 1 12 16 8  o 221.195 1.8118 489.017  5.6289  219.817 2.3900 222.573 2.7235 -2.756210      3.623512 
1 1 1 12 16 10 o 181.613 1.5964 329.471  4.0860  184.185 2.3509 179.042 2.1604 5.143753       3.192795 
1 1 1 12 16 12 o 335.663 2.3470 1126.90  11.135  340.842 3.3537 330.484 3.2842 10.35843       4.693978 
1 1 1 12 16 14 o 65.169  1.7855 42.489   1.6449  65.081  2.4838 65.257  2.5656 -0.1760406     3.570969 
1 1 1 12 16 16 o 185.067 1.7426 342.461  4.5579  189.447 2.4684 180.686 2.4603 8.760910       3.485105 
1 1 1 12 16 18 f 169.750 1.5772 288.594  3.7812  173.815 2.1590 165.685 2.2997 8.129974       3.154354 
1 1 1 12 16 20 f 262.847 2.2293 693.159  8.2299  258.623 3.3708 267.072 2.9183 -8.448669      4.458516 
1 1 1 12 16 22 o 157.848 1.7776 248.797  3.6475  158.619 3.0209 157.078 1.8745 1.541718       3.555221 
1 1 1 12 16 24 o 90.979  2.8208 84.172   3.3189  93.729  2.8949 88.228  4.8422 5.501129       5.641599 
1 1 1 12 16 26 f 139.096 2.2339 192.918  4.1567  137.251 2.5238 140.940 3.6866 -3.688461      4.467730 
1 1 1 12 16 28 o 33.846  5.8032 12.549   2.9369  42.112  5.6208 25.581  10.155 16.53103       11.60644 
1 1 1 12 16 30 o 61.365  4.0183 37.035   3.2474  57.671  4.5048 65.059  6.6554 -7.387814      8.036662 
1 1 1 12 16 32 o 18.408  5.8570 -3.1406  3.1868  18.446  7.9431 18.371  8.6094 0.7502747E-01  11.71391 
1 1 1 12 16 34 o 132.877 2.4682 177.598  4.4763  132.107 2.9280 133.647 3.9742 -1.540405      4.936306 
1 1 1 12 16 36 o 30.984  7.2352 10.022   3.6025  30.905  9.1055 31.062  11.246 -0.1565857     14.47039 
1 1 1 12 16 38 o 44.580  6.3051 21.904   3.7035  42.183  7.6742 46.977  10.006 -4.794727      12.61021 
1 1 1 12 16 40 o 24.920  7.1399 4.5985   4.0212  26.325  9.7512 23.514  10.432 2.811394       14.27979 
1 1 1 12 16 42 o 27.919  7.5796 9.5749   3.8981  21.750  8.8794 34.088  12.286 -12.33755      15.15916 
1 1 1 12 16 44 o 26.705  7.0507 9.8010   3.8230  29.816  9.5771 23.594  10.350 6.221685       14.10140 
1 1 1 12 17 1  o 447.013 2.8447 1999.76  17.983  444.987 4.0219 449.039 4.0242 -4.051849      5.689466 
1 1 1 12 17 3  f 599.607 3.6828 3596.21  31.182  610.097 5.3276 589.117 5.0861 20.98041       7.365551 
1 1 1 12 17 5  o 586.850 3.8950 3431.31  31.758  600.777 6.0252 572.923 4.9376 27.85376       7.789958 
1 1 1 12 17 7  o 233.094 1.8566 543.500  6.1174  232.538 2.5820 233.649 2.6686 -1.110977      3.713227 
1 1 1 12 17 9  o 388.831 2.5199 1513.20  13.855  389.457 3.5281 388.204 3.5989 1.252625       5.039799 
1 1 1 12 17 11 o 81.235  1.7358 66.083   1.9913  82.799  2.3707 79.671  2.5362 3.128044       3.471656 
1 1 1 12 17 13 o 40.836  2.8134 17.457   1.5250  47.554  3.0351 34.118  4.7380 13.43619       5.626784 
1 1 1 12 17 15 o 90.435  1.4937 81.836   1.9034  96.211  2.0402 84.659  2.1822 11.55244       2.987390 
1 1 1 12 17 17 o 102.659 1.6511 105.504  2.3955  103.757 2.2813 101.562 2.3875 2.195023       3.302189 
1 1 1 12 17 19 o 178.132 1.5823 317.598  3.9802  178.816 2.1631 177.448 2.3100 1.368088       3.164671 
1 1 1 12 17 21 o 71.235  2.7992 50.820   2.5815  71.318  4.7760 71.151  2.9211 0.1673279      5.598497 
1 1 1 12 17 23 o 236.540 2.0243 560.429  6.7231  236.808 2.6574 236.272 3.0543 0.5363770      4.048518 
1 1 1 12 17 25 o 113.532 2.4298 128.042  3.5575  111.426 2.5388 115.637 4.1438 -4.210960      4.859687 
1 1 1 12 17 27 o 97.791  2.5570 96.172   3.5065  99.084  3.3212 96.497  3.8888 2.586868       5.113991 
1 1 1 12 17 29 o 102.936 2.7433 107.476  3.6028  104.932 2.7509 100.939 4.7472 3.993187       5.486663 
1 1 1 12 17 31 o 90.680  2.7270 83.163   3.4293  92.495  3.3705 88.866  4.2877 3.629120       5.453903 
1 1 1 12 17 33 o 83.876  3.1144 70.751   3.6507  80.689  4.0783 87.064  4.7080 -6.374863      6.228837 
1 1 1 12 17 35 o 35.604  6.7604 13.356   3.5064  27.492  9.2378 43.717  9.8730 -16.22521      13.52083 
1 1 1 12 17 37 o 44.474  6.3063 23.220   3.6843  53.156  5.9735 35.793  11.108 17.36330       12.61250 
1 1 1 12 17 39 o 32.510  7.6781 11.777   4.0028  25.020  9.4508 40.000  12.104 -14.97907      15.35622 
1 1 1 12 17 41 o 18.029  5.9468 -3.1886  3.6638  17.197  7.9267 18.862  8.8670 -1.664410      11.89357 
1 1 1 12 17 43 o 34.874  6.6131 16.432   3.3060  40.235  9.7105 29.513  8.9800 10.72206       13.22625 
1 1 1 12 17 45 o 21.145  6.8800 2.4807   4.7585  20.418  9.5667 21.872  9.8902 -1.453499      13.76000 
1 1 1 12 18 0  o 9.9404  6.7680 -1.8474  3.9258  9.9404  6.7680 ?       ?      0.000000       0.000000 
1 1 1 12 18 2  o 268.540 1.9765 721.486  7.5048  272.602 2.7743 264.478 2.8159 8.124451       3.953024 
1 1 1 12 18 4  o 223.745 1.8065 500.466  5.7062  221.427 2.4769 226.063 2.6304 -4.636810      3.613070 
1 1 1 12 18 6  o 341.363 2.3560 1165.44  11.359  337.787 3.2474 344.939 3.4143 -7.152222      4.712009 
1 1 1 12 18 8  o 326.425 2.2886 1066.32  10.564  327.191 3.2643 325.658 3.2087 1.533112       4.577294 
1 1 1 12 18 10 o 313.341 2.3525 983.012  10.420  316.752 3.2625 309.930 3.3902 6.821869       4.705050 
1 1 1 12 18 12 o 197.705 1.6309 390.517  4.5543  203.747 2.3235 191.664 2.2892 12.08215       3.261788 
1 1 1 12 18 14 o 140.115 1.4871 196.408  2.9432  145.326 2.0657 134.905 2.1397 10.42168       2.974193 
1 1 1 12 18 16 o 80.588  1.6283 65.144   1.8402  81.952  2.1134 79.223  2.4777 2.729095       3.256580 
1 1 1 12 18 18 o 167.100 1.6122 279.218  3.8068  170.274 2.3056 163.925 2.2540 6.349304       3.224307 
1 1 1 12 18 20 o 259.693 1.9493 675.161  7.1583  259.262 2.7390 260.124 2.7743 -0.8621826     3.898524 
1 1 1 12 18 22 o 214.888 1.8912 461.868  5.7268  217.263 2.7901 212.512 2.5537 4.750763       3.782317 
1 1 1 12 18 24 o 210.723 2.0135 443.379  5.9770  218.242 2.9363 203.204 2.7559 15.03777       4.027013 
1 1 1 12 18 26 o 91.514  2.7506 83.940   3.1709  91.271  2.7199 91.758  4.7818 -0.4875870     5.501202 
1 1 1 12 18 28 o 107.441 2.5119 113.658  3.6625  101.217 3.0230 113.665 4.0125 -12.44820      5.023865 
1 1 1 12 18 30 f 166.265 2.2829 278.797  5.3276  170.992 2.9711 161.537 3.4667 9.455536       4.565727 
1 1 1 12 18 32 o 83.036  3.2532 68.948   3.5252  80.805  3.5009 85.267  5.4843 -4.462326      6.506469 
1 1 1 12 18 34 o 51.671  5.4484 28.268   3.5785  52.681  5.5890 50.661  9.3543 2.020329       10.89676 
1 1 1 12 18 36 o 71.014  3.6731 50.659   3.4748  67.269  4.2053 74.758  6.0236 -7.489136      7.346297 
1 1 1 12 18 38 o 17.831  5.9103 -5.5423  3.4639  13.636  6.6356 22.027  9.7823 -8.391185      11.82056 
1 1 1 12 18 40 o 27.465  7.2236 9.1042   3.7543  28.086  9.7435 26.844  10.667 1.241915       14.44716 
1 1 1 12 18 42 o 37.582  7.1518 20.593   3.9396  41.970  8.1310 33.195  11.768 8.774269       14.30356 
1 1 1 12 18 44 o 24.231  8.0513 6.1706   6.7888  29.547  13.166 18.915  9.2708 10.63166       16.10254 
1 1 1 12 19 1  o 94.982  1.7216 90.249   2.3078  99.570  2.3772 90.394  2.4908 9.176018       3.443182 
1 1 1 12 19 3  o 559.410 3.8038 3139.21  29.934  563.909 5.0370 554.911 5.7013 8.998352       7.607687 
1 1 1 12 19 5  o 595.586 3.6499 3554.76  30.741  596.237 5.1900 594.935 5.1334 1.301636       7.299832 
1 1 1 12 19 7  o 177.429 1.6345 315.082  4.0982  179.317 2.2537 175.541 2.3680 3.776703       3.268995 
1 1 1 12 19 9  o 211.983 1.7718 449.620  5.3107  211.954 2.5331 212.011 2.4780 -0.5705261E-01 3.543628 
1 1 1 12 19 11 o 258.742 1.9985 670.633  7.2975  262.073 2.7096 255.411 2.9385 6.661362       3.997055 
1 1 1 12 19 13 o 160.242 1.5457 257.475  3.4926  166.385 2.0819 154.098 2.2853 12.28732       3.091445 
1 1 1 12 19 15 o 102.186 1.4991 104.531  2.1646  100.885 2.1746 103.486 2.0641 -2.600441      2.998244 
1 1 1 12 19 17 o 54.146  2.6012 29.372   1.9913  55.050  3.6705 53.241  3.6868 1.809395       5.202439 
1 1 1 12 19 19 o 104.324 1.6862 109.179  2.3962  105.086 1.9778 103.563 2.7316 1.522591       3.372388 
1 1 1 12 19 21 o 129.349 1.7195 167.223  3.1398  132.489 2.4838 126.209 2.3787 6.280022       3.439075 
1 1 1 12 19 23 o 134.607 1.6714 182.506  3.1144  138.079 2.0487 131.135 2.6415 6.943390       3.342885 
1 1 1 12 19 25 o 85.969  1.7652 74.549   2.0594  84.100  2.8832 87.838  2.0375 -3.737755      3.530463 
1 1 1 12 19 27 o 115.307 2.5171 132.824  4.0470  112.185 3.2421 118.429 3.8511 -6.243614      5.034126 
1 1 1 12 19 29 o 31.684  6.5589 10.493   2.9980  32.945  7.2077 30.423  10.960 2.521358       13.11786 
1 1 1 12 19 31 o 17.587  5.6199 -4.8264  3.1868  19.051  8.0636 16.123  7.8302 2.927788       11.23980 
1 1 1 12 19 33 o 48.072  4.8756 23.741   3.2892  45.233  6.6370 50.912  7.1440 -5.678761      9.751215 
1 1 1 12 19 35 o 46.975  5.5098 23.245   3.4039  44.812  6.3128 49.138  9.0321 -4.326057      11.01956 
1 1 1 12 19 37 f 48.950  5.9658 25.774   3.7281  45.122  6.5253 52.779  9.9892 -7.656681      11.93163 
1 1 1 12 19 39 o 22.667  6.1549 4.5235   2.9398  19.396  8.4411 25.939  8.9599 -6.543484      12.30978 
1 1 1 12 19 41 o 23.870  7.0409 6.1889   3.9885  24.701  9.7800 23.039  10.132 1.661459       14.08175 
1 1 1 12 19 43 o 20.507  6.6992 2.8786   4.5345  19.797  9.1277 21.218  9.8083 -1.421135      13.39842 
1 1 1 12 20 0  o 393.905 4.2221 1553.34  33.254  393.905 4.2221 ?       ?      0.000000       0.000000 
1 1 1 12 20 2  o 344.504 2.4529 1187.81  11.946  342.097 3.4258 346.910 3.5114 -4.812378      4.905758 
1 1 1 12 20 4  o 164.791 1.6025 272.290  3.7217  169.627 2.1442 159.954 2.3821 9.672821       3.205017 
1 1 1 12 20 6  o 42.230  3.2423 17.876   1.9336  43.869  4.4744 40.591  4.6936 3.278450       6.484642 
1 1 1 12 20 8  f 52.374  2.8086 27.461   2.0719  52.699  4.1629 52.048  3.7713 0.6509857      5.617150 
1 1 1 12 20 10 o 137.656 1.6165 189.447  3.1398  136.046 2.2067 139.267 2.3629 -3.220596      3.233060 
1 1 1 12 20 12 o 297.782 2.1046 887.457  8.8543  299.449 3.0462 296.115 2.9050 3.334717       4.209284 
1 1 1 12 20 14 o 150.915 1.6101 227.957  3.4348  154.280 2.2452 147.549 2.3085 6.730896       3.220297 
1 1 1 12 20 16 o 201.995 1.7381 408.398  4.9650  203.109 2.4445 200.880 2.4716 2.229324       3.476258 
1 1 1 12 20 18 f 108.627 1.8445 118.179  2.8277  113.806 2.5364 103.448 2.6788 10.35837       3.689093 
1 1 1 12 20 20 o 179.986 1.6784 324.296  4.2714  180.881 2.3938 179.091 2.3533 1.790512       3.356789 
1 1 1 12 20 22 o 96.215  1.9451 93.848   2.4754  99.010  2.0991 93.420  3.2753 5.590279       3.890279 
1 1 1 12 20 24 o 37.524  3.4873 15.233   1.4845  41.293  2.7962 33.755  6.3895 7.538464       6.974568 
1 1 1 12 20 26 o 40.093  5.7877 16.786   3.0903  38.075  7.2362 42.111  9.0348 -4.035469      11.57540 
1 1 1 12 20 28 o 38.537  7.2378 16.223   4.0957  43.200  9.4794 33.874  10.940 9.326035       14.47553 
1 1 1 12 20 30 o 64.724  5.4033 43.804   4.0925  66.212  4.6212 63.237  9.7686 2.974743       10.80651 
1 1 1 12 20 32 o 16.142  5.3034 -4.0756  2.7369  14.846  6.7502 17.437  8.1817 -2.590938      10.60688 
1 1 1 12 20 34 o 57.553  5.5443 36.584   3.9160  62.539  5.1695 52.566  9.8099 9.973183       11.08869 
1 1 1 12 20 36 o 59.792  5.2350 38.333   4.1075  59.372  5.6398 60.212  8.8212 -0.8397598     10.47001 
1 1 1 12 20 38 o 24.349  6.7993 5.5137   3.4735  21.523  8.9920 27.175  10.201 -5.651672      13.59858 
1 1 1 12 20 40 o 21.261  6.8082 1.3120   4.1149  18.012  8.2640 24.510  10.822 -6.498426      13.61635 
1 1 1 12 20 42 o 23.231  6.9324 6.7875   3.9524  18.374  8.4188 28.088  11.016 -9.714720      13.86472 
1 1 1 12 21 1  f 54.340  2.5598 29.617   1.9629  56.411  3.4796 52.268  3.7555 4.143494       5.119685 
1 1 1 12 21 3  o 196.206 1.5916 385.097  4.4148  194.252 2.2290 198.160 2.2725 -3.908600      3.183184 
1 1 1 12 21 5  o 184.038 1.6763 339.174  4.3571  186.362 2.2924 181.714 2.4464 4.648148       3.352592 
1 1 1 12 21 7  o 142.290 1.6063 202.225  3.2237  139.192 2.1983 145.389 2.3428 -6.197479      3.212664 
1 1 1 12 21 9  o 51.548  2.5048 26.638   1.8071  51.834  3.2300 51.262  3.8292 0.5727730      5.009521 
1 1 1 12 21 11 o 220.274 1.8397 486.337  5.7009  222.880 2.4349 217.668 2.7584 5.211655       3.679315 
1 1 1 12 21 13 o 160.983 1.6228 259.106  3.6913  165.533 2.3019 156.432 2.2882 9.101166       3.245637 
1 1 1 12 21 15 f 289.944 2.2613 842.472  9.2659  295.470 3.1263 284.417 3.2681 11.05392       4.522577 
1 1 1 12 21 17 o 370.448 2.5731 1375.67  13.480  371.229 3.6546 369.667 3.6232 1.562286       5.146276 
1 1 1 12 21 19 o 187.936 1.6856 353.951  4.4696  189.803 2.2813 186.069 2.4822 3.733902       3.371273 
1 1 1 12 21 21 o 132.916 1.8020 176.725  3.3475  131.809 2.3214 134.022 2.7569 -2.212418      3.604087 
1 1 1 12 21 23 o 97.036  1.8169 94.396   2.3772  97.245  2.0779 96.827  2.9812 0.4183884      3.633892 
1 1 1 12 21 25 o 14.515  4.3986 0.1732   1.4103  12.832  5.1973 16.198  7.0977 -3.366470      8.797165 
1 1 1 12 21 27 o 58.619  4.1724 35.655   3.1868  61.427  4.3233 55.812  7.1375 5.615223       8.344738 
1 1 1 12 21 29 o 63.542  5.1556 39.482   3.7351  59.342  4.4752 67.742  9.2894 -8.399853      10.31123 
1 1 1 12 21 31 o 75.240  3.9837 59.572   4.0110  82.081  4.3608 68.400  6.6680 13.68138       7.967326 
1 1 1 12 21 33 o 40.803  6.8070 18.554   3.7224  39.529  8.1651 42.077  10.894 -2.548248      13.61404 
1 1 1 12 21 35 o 18.802  6.2729 -4.8374  3.7546  15.901  7.4163 21.703  10.119 -5.801759      12.54586 
1 1 1 12 21 37 o 23.939  6.7480 4.9819   3.5315  25.827  9.5810 22.050  9.5051 3.777010       13.49603 
1 1 1 12 21 39 o 18.609  6.1265 -2.0477  3.6625  15.765  7.4238 21.452  9.7480 -5.686360      12.25297 
1 1 1 12 21 41 o 21.231  6.8216 3.1475   4.5159  21.737  9.4392 20.725  9.8508 1.011953       13.64318 
1 1 1 12 22 0  o 140.470 2.3853 197.560  6.6969  140.470 2.3853 ?       ?      0.000000       0.000000 
1 1 1 12 22 2  o 54.501  2.7811 29.840   2.1345  52.804  4.1547 56.199  3.6982 -3.395363      5.562219 
1 1 1 12 22 4  o 130.058 1.6322 169.238  3.0010  130.722 2.3407 129.394 2.2755 1.328247       3.264470 
1 1 1 12 22 6  o 154.754 1.6086 239.218  3.5132  158.703 2.3282 150.805 2.2204 7.897659       3.217222 
1 1 1 12 22 8  o 66.122  2.1211 44.048   1.9476  64.149  3.3299 68.094  2.6283 -3.944733      4.242167 
1 1 1 12 22 10 o 76.722  2.1017 58.931   2.2801  76.008  2.9623 77.435  2.9822 -1.427185      4.203399 
1 1 1 12 22 12 o 168.791 1.7287 284.639  4.1180  164.369 2.3884 173.212 2.4998 -8.842987      3.457358 
1 1 1 12 22 14 o 16.658  4.9603 -0.2181  2.0719  18.440  7.2609 14.876  6.7601 3.563893       9.920686 
1 1 1 12 22 16 o 99.473  1.8919 99.242   2.6557  95.671  2.7758 103.274 2.5715 -7.603004      3.783891 
1 1 1 12 22 18 o 122.699 1.7469 150.435  3.0175  120.147 2.3545 125.250 2.5812 -5.102791      3.493781 
1 1 1 12 22 20 o 80.050  2.1612 64.373   2.3904  80.688  2.6473 79.412  3.4169 1.276459       4.322453 
1 1 1 12 22 22 o 114.516 1.7555 130.878  2.6926  113.397 1.9856 115.635 2.8957 -2.237633      3.511081 
1 1 1 12 22 24 o 144.268 1.8243 206.454  3.5650  139.761 2.1480 148.775 2.9492 -9.013763      3.648522 
1 1 1 12 22 26 o 93.790  1.6365 87.795   2.1338  91.699  2.0776 95.880  2.5289 -4.180763      3.272930 
1 1 1 12 22 28 o 50.344  5.1309 26.817   3.3860  52.653  5.5920 48.035  8.6044 4.617832       10.26186 
1 1 1 12 22 30 o 61.824  5.1995 40.417   4.0805  64.354  5.1135 59.295  9.0550 5.059162       10.39906 
1 1 1 12 22 32 o 46.049  5.8718 21.545   3.5575  35.702  8.1068 56.396  8.4967 -20.69370      11.74367 
1 1 1 12 22 34 o 54.008  5.5133 30.861   3.9859  49.585  6.5201 58.430  8.8925 -8.845078      11.02668 
1 1 1 12 22 36 o 27.675  6.6229 8.7348   3.2897  22.941  9.3144 32.409  9.4176 -9.468494      13.24570 
1 1 1 12 22 38 o 20.311  6.4740 1.0306   3.6742  17.993  8.0619 22.629  10.132 -4.636524      12.94802 
1 1 1 12 22 40 o 19.234  6.3500 -1.8632  4.4522  20.271  9.0166 18.197  8.9438 2.073635       12.70004 
1 1 1 12 23 1  o 209.650 2.0542 440.008  6.0895  207.259 2.8969 212.042 2.9133 -4.783890      4.108451 
1 1 1 12 23 3  o 318.293 2.6600 1014.01  11.703  319.788 4.1884 316.799 3.2803 2.988159       5.320008 
1 1 1 12 23 5  o 61.334  2.8061 38.057   2.3677  63.608  3.3582 59.060  4.4966 4.548199       5.612180 
1 1 1 12 23 7  o 192.546 1.6752 371.103  4.5609  194.675 2.3428 190.418 2.3952 4.257675       3.350465 
1 1 1 12 23 9  f 217.035 1.8998 471.615  5.8310  217.687 2.6786 216.383 2.6947 1.303436       3.799539 
1 1 1 12 23 11 o 30.067  4.5421 9.7162   2.1299  18.887  7.6501 41.247  4.8988 -22.36072      9.084160 
1 1 1 12 23 13 o 72.349  2.1178 52.366   2.1615  68.404  3.0383 76.294  2.9512 -7.889450      4.235671 
1 1 1 12 23 15 o 80.209  2.1493 64.732   2.4193  82.665  2.7936 77.753  3.2670 4.912163       4.298545 
1 1 1 12 23 17 o 60.889  2.5036 37.411   2.1221  62.660  3.1326 59.117  3.9063 3.543022       5.007231 
1 1 1 12 23 19 o 103.387 1.9348 107.066  2.8277  105.393 2.7389 101.381 2.7334 4.011765       3.869521 
1 1 1 12 23 21 o 117.465 2.0253 138.519  3.3236  118.157 2.5896 116.772 3.1147 1.385345       4.050637 
1 1 1 12 23 23 o 95.081  2.2108 92.361   2.7292  98.717  2.2808 91.445  3.7880 7.271545       4.421655 
1 1 1 12 23 25 o 26.957  5.1473 7.4145   1.8557  24.688  5.9149 29.226  8.4258 -4.537798      10.29470 
1 1 1 12 23 27 o 74.281  2.4393 55.708   2.5074  73.558  3.8458 75.004  3.0019 -1.446388      4.878685 
1 1 1 12 23 29 o 29.126  8.3238 5.6975   5.1675  31.923  12.700 26.328  10.764 5.595715       16.64766 
1 1 1 12 23 31 o 69.215  4.0538 50.095   3.6810  71.279  4.2927 67.151  6.8779 4.127327       8.107574 
1 1 1 12 23 33 o 85.575  3.4365 75.515   4.0211  84.003  4.1236 87.146  5.4985 -3.143463      6.872995 
1 1 1 12 23 35 o 36.135  6.7332 16.571   3.7693  43.273  7.0709 28.996  11.461 14.27701       13.46631 
1 1 1 12 23 37 o 32.331  7.7660 15.205   4.1866  30.595  10.328 34.067  11.600 -3.471739      15.53192 
1 1 1 12 23 39 o 22.329  6.8933 5.2942   4.1598  22.863  9.5009 21.795  9.9903 1.068636       13.78670 
1 1 1 12 24 0  o 76.681  3.0217 59.118   4.6186  76.681  3.0217 ?       ?      0.000000       0.000000 
1 1 1 12 24 2  o 178.732 1.7354 319.329  4.3808  173.910 2.4234 183.554 2.4848 -9.643585      3.470827 
1 1 1 12 24 4  o 109.131 1.8551 119.347  2.8575  104.556 2.7056 113.705 2.5387 -9.149384      3.710158 
1 1 1 12 24 6  o 133.495 1.9123 176.275  3.5249  127.165 2.4062 139.825 2.9728 -12.66012      3.824556 
1 1 1 12 24 8  o 134.957 1.8781 182.424  3.5710  135.329 2.5170 134.585 2.7883 0.7444153      3.756279 
1 1 1 12 24 10 o 18.664  5.0931 1.7452   2.0190  21.425  7.4574 15.902  6.9387 5.522584       10.18617 
1 1 1 12 24 12 o 91.438  1.9228 83.693   2.4704  92.026  2.8858 90.850  2.5419 1.175751       3.845646 
1 1 1 12 24 14 o 27.337  5.1787 7.6784   2.1938  21.156  7.8279 33.518  6.7822 -12.36183      10.35734 
1 1 1 12 24 16 o 182.471 1.8010 333.513  4.6458  183.414 2.5811 181.528 2.5125 1.885849       3.602012 
1 1 1 12 24 18 o 238.581 1.9593 570.291  6.6042  236.698 2.7074 240.464 2.8330 -3.765228      3.918658 
1 1 1 12 24 20 o 212.920 1.9959 453.454  5.9592  208.817 2.6265 217.023 3.0060 -8.205551      3.991817 
1 1 1 12 24 22 o 144.259 1.9297 207.387  3.7633  141.357 2.2463 147.161 3.1385 -5.804245      3.859498 
1 1 1 12 24 24 o 99.126  2.2393 99.291   2.9280  100.212 2.4196 98.039  3.7688 2.172699       4.478630 
1 1 1 12 24 26 o 124.824 1.7652 155.812  3.0107  123.282 2.1073 126.366 2.8326 -3.083481      3.530479 
1 1 1 12 24 28 o 33.657  6.7474 12.524   3.2457  36.699  6.8617 30.616  11.620 6.082941       13.49481 
1 1 1 12 24 30 o 72.924  3.6350 55.305   3.5658  74.735  4.0942 71.113  6.0076 3.622108       7.270060 
1 1 1 12 24 32 o 57.525  5.9910 37.884   4.1296  61.449  5.3552 53.602  10.719 7.847565       11.98198 
1 1 1 12 24 34 o 42.251  6.5767 22.590   3.7838  48.854  6.6177 35.647  11.367 13.20635       13.15346 
1 1 1 12 24 36 o 55.577  5.8174 37.142   4.4373  53.281  7.1514 57.874  9.1775 -4.592270      11.63483 
1 1 1 12 24 38 o 21.456  7.0743 2.2397   4.5632  16.549  7.8885 26.362  11.745 -9.812208      14.14856 
1 1 1 12 25 1  o 54.193  3.3587 29.511   2.5610  54.020  5.0230 54.366  4.4600 -0.3468781     6.717332 
1 1 1 12 25 3  o 47.119  3.5126 22.323   2.3378  48.770  4.8535 45.467  5.0790 3.302238       7.025122 
1 1 1 12 25 5  o 112.461 2.0032 127.007  3.1711  115.240 2.6552 109.681 3.0003 5.559052       4.006445 
1 1 1 12 25 7  o 137.545 1.9175 189.563  3.7128  137.748 2.5566 137.343 2.8584 0.4050751      3.834921 
1 1 1 12 25 9  o 86.267  2.0856 74.535   2.5284  85.812  2.7584 86.722  3.1289 -0.9104385     4.171157 
1 1 1 12 25 11 f 81.309  2.3882 66.237   2.7274  80.512  3.1551 82.106  3.5860 -1.594162      4.776394 
1 1 1 12 25 13 o 77.692  2.2276 59.714   2.4125  72.073  2.9638 83.311  3.3263 -11.23806      4.455133 
1 1 1 12 25 15 o 108.160 1.8903 117.265  2.8855  103.067 2.7447 113.253 2.5998 -10.18609      3.780526 
1 1 1 12 25 17 o 48.332  3.5948 23.786   2.4248  43.793  5.5368 52.871  4.5862 -9.078121      7.189537 
1 1 1 12 25 19 o 52.636  3.3579 28.168   2.3962  53.758  3.8661 51.515  5.4914 2.243851       6.715850 
1 1 1 12 25 21 o 54.755  3.2925 29.088   2.4520  46.466  4.3486 63.044  4.9450 -16.57804      6.585063 
1 1 1 12 25 23 f 41.802  4.2170 18.059   2.1015  42.101  3.8395 41.502  7.5093 0.5996666      8.433928 
1 1 1 12 25 25 o 23.071  5.6198 5.0153   2.0724  21.672  6.7457 24.470  8.9901 -2.797821      11.23952 
1 1 1 12 25 27 o 28.768  5.1185 8.2439   1.8601  23.617  5.8820 33.919  8.3784 -10.30174      10.23701 
1 1 1 12 25 29 o 28.799  7.0362 8.6608   3.4270  24.100  9.0383 33.498  10.786 -9.397598      14.07231 
1 1 1 12 25 31 o 16.066  5.4703 -8.7688  3.5692  13.912  6.8242 18.220  8.5515 -4.308303      10.94065 
1 1 1 12 25 33 o 37.538  7.0600 18.951   3.9209  42.984  7.9550 32.093  11.666 10.89080       14.12008 
1 1 1 12 25 35 o 18.395  6.1048 -2.8581  3.8317  17.613  7.9341 19.177  9.2804 -1.563677      12.20967 
1 1 1 12 25 37 o 34.759  5.9457 17.406   4.3780  50.289  7.4620 19.229  9.2586 31.05991       11.89131 
1 1 1 12 26 0  o 245.996 3.5689 606.536  17.551  245.996 3.5689 ?       ?      0.000000       0.000000 
1 1 1 12 26 2  o 110.517 1.9402 122.299  3.0241  111.395 2.8505 109.640 2.6328 1.755089       3.880327 
1 1 1 12 26 4  o 74.677  2.5017 56.172   2.6189  76.778  3.2333 72.576  3.8183 4.202492       5.003360 
1 1 1 12 26 6  f 219.001 2.0443 481.094  6.3110  220.684 2.7469 217.319 3.0285 3.364655       4.088645 
1 1 1 12 26 8  o 217.036 2.3042 471.980  7.0580  220.172 3.3563 213.901 3.1579 6.270996       4.608373 
1 1 1 12 26 10 o 202.376 1.7966 410.187  5.1278  201.751 2.4323 203.002 2.6449 -1.251022      3.593257 
1 1 1 12 26 12 o 106.179 1.8839 112.948  2.8277  106.963 2.6987 105.395 2.6293 1.567734       3.767786 
1 1 1 12 26 14 o 70.744  2.7553 50.513   2.7420  74.420  3.6461 67.067  4.1319 7.352928       5.510589 
1 1 1 12 26 16 o 14.205  4.7118 -5.3970  2.4506  15.255  6.9561 13.155  6.3574 2.099935       9.423580 
1 1 1 12 26 18 o 42.824  4.2456 18.692   2.5688  41.485  6.1233 44.163  5.8827 -2.677990      8.491196 
1 1 1 12 26 20 o 91.227  2.4133 84.934   2.9515  94.685  2.6828 87.769  4.0124 6.915474       4.826698 
1 1 1 12 26 22 o 105.824 2.2074 113.291  3.1299  107.517 2.4700 104.131 3.6592 3.385796       4.414804 
1 1 1 12 26 24 o 90.859  2.3801 83.884   2.8496  92.572  2.5570 89.146  4.0152 3.425858       4.760250 
1 1 1 12 26 26 o 30.026  5.5432 9.9381   2.2740  31.755  5.8558 28.296  9.4137 3.458574       11.08641 
1 1 1 12 26 28 o 37.215  4.3888 14.779   1.9473  38.052  3.9447 36.379  7.8413 1.672821       8.777596 
1 1 1 12 26 30 o 23.037  7.0379 1.5253   4.3117  21.839  10.002 24.236  9.9038 -2.396648      14.07584 
1 1 1 12 26 32 o 23.137  6.9953 3.9618   3.9618  19.021  8.5528 27.254  11.072 -8.233189      13.99065 
1 1 1 12 26 34 o 29.969  6.4667 11.781   3.8129  39.307  8.8751 20.631  9.4078 18.67639       12.93340 
1 1 1 12 26 36 o 24.463  7.1427 9.5175   4.0803  25.429  9.7891 23.497  10.404 1.932085       14.28545 
1 1 1 12 27 1  o 283.036 2.2951 803.682  9.0842  283.565 2.9521 282.506 3.5150 1.059204       4.590193 
1 1 1 12 27 3  o 213.088 2.0307 452.859  6.0652  219.774 3.0472 206.402 2.6852 13.37282       4.061489 
1 1 1 12 27 5  o 113.322 1.8556 128.531  2.9662  111.932 2.5273 114.712 2.7177 -2.780853      3.711245 
1 1 1 12 27 7  o 37.665  4.9917 14.687   2.5967  39.389  6.4491 35.940  7.6209 3.448734       9.983395 
1 1 1 12 27 9  o 128.979 1.8369 166.739  3.3445  128.880 2.6877 129.079 2.5047 -0.1990356     3.673869 
1 1 1 12 27 11 o 162.857 2.0343 265.853  4.6507  161.921 2.6741 163.794 3.0665 -1.872482      4.068675 
1 1 1 12 27 13 o 50.428  3.6827 25.711   2.6240  49.304  5.1522 51.553  5.2633 -2.249744      7.365317 
1 1 1 12 27 15 o 33.253  5.1988 11.678   2.4533  38.629  6.4265 27.876  8.1738 10.75293       10.39760 
1 1 1 12 27 17 o 35.133  5.6099 13.421   2.9129  44.146  6.4080 26.120  9.2097 18.02596       11.21972 
1 1 1 12 27 19 o 36.030  5.1116 14.029   2.5928  25.488  8.4004 46.572  5.8263 -21.08426      10.22314 
1 1 1 12 27 21 o 97.372  2.4594 94.863   3.1366  95.812  2.6513 98.933  4.1432 -3.121368      4.918873 
1 1 1 12 27 23 o 64.333  3.5073 42.951   2.9030  66.621  3.5530 62.045  6.0482 4.575272       7.014563 
1 1 1 12 27 25 o 59.051  3.4177 35.492   2.5679  58.344  3.4633 59.758  5.8932 -1.414330      6.835495 
1 1 1 12 27 27 o 50.996  3.5800 25.714   2.2450  47.241  3.5440 54.750  6.2214 -7.508915      7.160012 
1 1 1 12 27 29 o 17.515  4.8150 1.9164   1.7785  18.782  6.2758 16.248  7.3041 2.533995       9.629927 
1 1 1 12 27 31 o 25.449  6.9045 8.0319   3.4926  26.289  9.8144 24.609  9.7143 1.680309       13.80908 
1 1 1 12 27 33 o 16.699  5.8290 -9.2754  4.2803  13.883  6.8512 19.515  9.4324 -5.631656      11.65796 
1 1 1 12 27 35 o 27.415  7.6043 12.407   4.1075  21.544  9.0834 33.286  12.198 -11.74178      15.20863 
1 1 1 12 28 0  o 40.579  6.1171 17.320   4.7340  40.579  6.1171 ?       ?      0.000000       0.000000 
1 1 1 12 28 2  o 113.935 2.3163 131.956  3.6385  120.306 2.7833 107.564 3.7034 12.74146       4.632697 
1 1 1 12 28 4  o 75.069  3.0155 57.040   3.1753  80.606  3.9392 69.532  4.5667 11.07442       6.030927 
1 1 1 12 28 6  o 16.795  5.2585 -1.8789  2.5192  17.574  7.4821 16.016  7.3910 1.558195       10.51707 
1 1 1 12 28 8  o 81.466  2.4784 66.429   2.8435  85.120  3.5947 77.811  3.4130 7.309021       4.956853 
1 1 1 12 28 10 o 116.368 2.0349 135.878  3.3445  115.367 2.8024 117.369 2.9513 -2.002464      4.069831 
1 1 1 12 28 12 o 140.577 1.8766 198.443  3.7128  141.098 2.4959 140.055 2.8030 1.043182       3.753203 
1 1 1 12 28 14 o 143.240 2.0085 205.791  4.0601  139.446 2.7739 147.033 2.9056 -7.587662      4.017076 
1 1 1 12 28 16 f 128.047 1.9760 164.428  3.5710  123.006 2.7691 133.087 2.8197 -10.08098      3.952033 
1 1 1 12 28 18 o 93.029  2.4993 86.880   3.2745  89.048  3.4361 97.010  3.6302 -7.961815      4.998564 
1 1 1 12 28 20 o 74.543  2.8794 54.027   2.6299  69.831  2.8109 79.255  5.0262 -9.423447      5.758837 
1 1 1 12 28 22 o 33.232  5.8889 11.905   2.6256  30.879  7.0671 35.584  9.4221 -4.704485      11.77789 
1 1 1 12 28 24 o 30.540  6.3818 9.7181   2.6680  24.751  7.5097 36.328  10.321 -11.57620      12.76365 
1 1 1 12 28 26 o 25.762  5.7762 7.2897   2.4427  28.494  6.9429 23.030  9.2333 5.463869       11.55244 
1 1 1 12 28 28 o 39.615  4.2094 15.486   2.1424  32.418  4.9864 46.811  6.7831 -14.39305      8.418722 
1 1 1 12 28 30 o 17.861  5.0837 1.6825   1.8557  12.180  5.5170 23.542  8.5405 -11.36212      10.16746 
1 1 1 12 28 32 o 28.543  7.6523 12.316   4.4763  31.405  10.486 25.681  11.148 5.724133       15.30459 
1 1 1 12 28 34 o 31.018  7.2846 15.865   4.2090  37.201  9.9076 24.836  10.682 12.36482       14.56923 
1 1 1 12 29 1  o 30.150  6.0896 9.6269   2.7699  32.984  8.2414 27.316  8.9674 5.667971       12.17928 
1 1 1 12 29 3  o 52.480  4.1650 27.990   3.0863  50.194  5.9809 54.765  5.7980 -4.570774      8.329929 
1 1 1 12 29 5  f 72.519  3.0205 53.191   3.0863  74.449  4.0324 70.590  4.4982 3.858826       6.041050 
1 1 1 12 29 7  o 22.057  5.9611 3.5563   2.5864  20.243  8.0385 23.871  8.8047 -3.628035      11.92225 
1 1 1 12 29 9  o 92.728  2.4266 86.695   3.1711  94.183  3.2488 91.273  3.6054 2.910355       4.853184 
1 1 1 12 29 11 o 177.819 1.9227 317.669  4.7914  177.771 2.5006 177.867 2.9212 -0.9631348E-01 3.845349 
1 1 1 12 29 13 o 185.305 2.1628 345.452  5.4661  185.166 3.4920 185.445 2.5528 -0.2781525     4.325613 
1 1 1 12 29 15 f 137.935 1.9838 190.947  3.8543  136.030 2.6738 139.839 2.9312 -3.808731      3.967508 
1 1 1 12 29 17 f 132.258 1.9449 175.612  3.6225  129.842 2.6233 134.675 2.8721 -4.832718      3.889881 
1 1 1 12 29 19 o 64.002  3.2848 41.407   2.9102  60.881  4.1725 67.124  5.0745 -6.243385      6.569622 
1 1 1 12 29 21 o 66.261  2.9285 44.555   2.7055  64.074  3.7843 68.447  4.4703 -4.372833      5.857015 
1 1 1 12 29 23 o 73.791  2.9672 56.240   2.9515  75.577  3.3611 72.004  4.8909 3.572693       5.934480 
1 1 1 12 29 25 o 23.535  6.1058 5.0953   2.4583  17.880  7.1175 29.189  9.9230 -11.30855      12.21167 
1 1 1 12 29 27 o 17.088  5.2868 0.2860   2.4090  17.092  7.0649 17.084  7.8668 0.7522583E-02  10.57352 
1 1 1 12 29 29 o 24.288  5.4113 6.9397   2.3185  28.623  6.4127 19.952  8.7181 8.671110       10.82260 
1 1 1 12 29 31 o 45.100  3.5319 22.537   2.0097  47.219  3.4234 42.980  6.1789 4.239250       7.063881 
1 1 1 12 30 0  o 154.418 2.7686 239.243  8.5444  154.418 2.7686 ?       ?      0.000000       0.000000 
1 1 1 12 30 2  o 127.591 2.0154 163.461  3.6335  124.308 2.8330 130.873 2.8674 -6.565094      4.030842 
1 1 1 12 30 4  o 91.054  2.3547 83.503   3.0307  93.108  3.2863 88.999  3.3731 4.108994       4.709332 
1 1 1 12 30 6  o 22.196  5.9433 2.2603   2.8551  27.698  9.1485 16.694  7.5893 11.00368       11.88667 
1 1 1 12 30 8  o 107.998 2.1932 117.391  3.3475  107.425 3.1708 108.571 3.0310 -1.145966      4.386418 
1 1 1 12 30 10 o 135.452 2.0343 184.286  3.8916  133.795 2.8047 137.110 2.9475 -3.315033      4.068675 
1 1 1 12 30 12 o 173.523 1.9642 301.959  4.7997  169.377 2.6586 177.670 2.8920 -8.293015      3.928350 
1 1 1 12 30 14 o 125.074 2.1541 157.555  3.8095  123.657 3.0347 126.491 3.0580 -2.833862      4.308203 
1 1 1 12 30 16 o 48.968  4.6993 25.049   3.1825  48.722  5.8061 49.213  7.3906 -0.4907112     9.398522 
1 1 1 12 30 18 o 26.647  6.1742 7.5629   2.7134  28.547  8.7105 24.746  8.7527 3.800791       12.34840 
1 1 1 12 30 20 o 66.435  3.5405 45.833   3.0146  67.634  3.5851 65.235  6.1064 2.398651       7.081027 
1 1 1 12 30 22 o 35.652  6.3854 14.707   2.9837  35.497  6.7491 35.808  10.842 -0.3103256     12.77081 
1 1 1 12 30 24 o 37.161  5.8364 16.162   2.9515  39.198  6.4805 35.123  9.7087 4.074421       11.67288 
1 1 1 12 30 26 o 24.410  5.5622 6.1488   2.7375  30.481  7.1281 18.339  8.5406 12.14167       11.12437 
1 1 1 12 30 28 o 34.929  4.9982 15.585   2.1347  41.179  4.0658 28.680  9.1322 12.49935       9.996400 
1 1 1 12 30 30 o 38.505  5.2454 18.436   2.4235  39.409  4.6879 37.601  9.3852 1.807606       10.49088 
1 1 1 12 31 1  o 240.342 2.2269 581.414  7.5559  241.516 3.0358 239.167 3.2588 2.349197       4.453727 
1 1 1 12 31 3  o 235.133 2.0818 556.658  6.8718  237.571 2.7217 232.695 3.1509 4.875183       4.163648 
1 1 1 12 31 5  o 174.329 1.9438 305.255  4.7855  175.937 2.8220 172.722 2.6740 3.215225       3.887688 
1 1 1 12 31 7  o 80.987  2.7561 66.189   3.1144  80.187  3.5278 81.787  4.2353 -1.599922      5.512120 
1 1 1 12 31 9  o 33.168  6.3414 12.137   3.0755  30.556  9.6468 35.779  8.2336 -5.223269      12.68278 
1 1 1 12 31 11 o 19.450  6.0154 -0.6303  3.1461  19.740  8.5545 19.159  8.4595 0.5806789      12.03085 
1 1 1 12 31 13 o 69.087  3.2912 48.639   3.1602  68.018  4.1590 70.157  5.1020 -2.139275      6.582379 
1 1 1 12 31 15 o 58.730  3.4861 35.558   2.8820  59.929  4.6241 57.532  5.2181 2.396725       6.972151 
1 1 1 12 31 17 o 27.677  6.3166 8.2236   2.8225  23.770  8.4625 31.585  9.3801 -7.815920      12.63329 
1 1 1 12 31 19 o 50.381  5.2557 26.860   3.1043  48.303  4.7808 52.458  9.3613 -4.154892      10.51146 
1 1 1 12 31 21 o 66.893  3.2797 47.447   2.8496  70.154  3.3740 63.633  5.6251 6.521175       6.559423 
1 1 1 12 31 23 o 60.145  3.7421 38.888   3.0508  59.507  4.3658 60.782  6.0789 -1.275402      7.484161 
1 1 1 12 31 25 o 39.046  5.6625 18.967   2.8911  43.196  5.6134 34.896  9.8359 8.300186       11.32497 
1 1 1 12 31 27 o 40.852  5.5882 19.243   2.7839  36.588  5.6804 45.117  9.6252 -8.528671      11.17637 
1 1 1 12 31 29 o 25.776  5.7437 9.0859   2.3358  27.488  6.7590 24.063  9.2885 3.425520       11.48745 
1 1 1 12 32 0  o 128.697 3.3245 166.731  8.5444  128.697 3.3245 ?       ?      0.000000       0.000000 
1 1 1 12 32 2  o 136.592 2.1277 188.062  4.0787  136.369 3.2175 136.815 2.7850 -0.4456329     4.255417 
1 1 1 12 32 4  o 53.584  4.1500 30.000   3.0819  57.864  5.0884 49.305  6.5572 8.559326       8.299903 
1 1 1 12 32 6  o 56.463  3.6815 32.459   2.9036  53.279  4.8761 59.647  5.5170 -6.368153      7.362984 
1 1 1 12 32 8  o 74.050  3.0610 55.732   3.1831  75.687  4.5767 72.414  4.0660 3.273041       6.121974 
1 1 1 12 32 10 o 21.289  6.2434 1.9715   3.0668  19.505  8.2919 23.073  9.3361 -3.568314      12.48675 
1 1 1 12 32 12 o 28.235  5.9504 8.7402   2.6507  23.466  8.4517 33.003  8.3785 -9.537771      11.90089 
1 1 1 12 32 14 o 29.175  6.1082 9.1457   2.9015  22.112  8.5759 36.237  8.7001 -14.12498      12.21633 
1 1 1 12 32 16 o 25.047  6.1303 5.3009   3.1490  31.368  8.8302 18.727  8.5060 12.64050       12.26064 
1 1 1 12 32 18 o 63.394  4.2004 43.347   3.2630  65.615  3.8714 61.174  7.4556 4.440628       8.400788 
1 1 1 12 32 20 o 56.778  4.5549 34.163   3.2570  52.943  4.6890 60.613  7.8103 -7.670189      9.109762 
1 1 1 12 32 22 o 22.928  6.4055 5.4399   2.9030  19.273  7.8292 26.582  10.140 -7.309664      12.81109 
1 1 1 12 32 24 o 36.354  6.1748 16.929   2.9237  35.292  6.7854 37.417  10.318 -2.124275      12.34953 
1 1 1 12 32 26 o 27.141  6.2041 10.661   3.0491  32.378  8.1916 21.904  9.3200 10.47397       12.40823 
1 1 1 12 33 1  o 21.850  6.0673 1.9923   3.0555  26.275  9.1346 17.425  7.9881 8.850296       12.13468 
1 1 1 12 33 3  o 114.522 2.2296 132.319  3.5803  116.994 3.3556 112.050 2.9369 4.944000       4.459256 
1 1 1 12 33 5  o 139.035 2.3201 196.117  4.5609  140.716 3.2412 137.353 3.3205 3.363419       4.640165 
1 1 1 12 33 7  o 129.651 2.1894 170.289  4.0105  130.333 3.0121 128.970 3.1783 1.363007       4.378847 
1 1 1 12 33 9  o 59.762  3.7936 37.053   3.1976  56.439  5.4214 63.086  5.3078 -6.646465      7.587167 
1 1 1 12 33 11 o 39.181  5.5243 17.204   3.0021  35.610  8.5299 42.751  7.0223 -7.140751      11.04856 
1 1 1 12 33 13 o 52.698  4.1814 29.706   3.0863  49.592  6.4028 55.804  5.3797 -6.211452      8.362830 
1 1 1 12 33 15 o 71.753  3.3280 53.768   3.3751  70.790  4.6486 72.717  4.7636 -1.926834      6.655919 
1 1 1 12 33 17 o 86.520  3.2870 79.148   3.9158  86.898  3.9862 86.143  5.2275 0.7556534      6.573941 
1 1 1 12 33 19 o 70.545  3.7728 51.805   3.5415  63.079  4.4847 78.012  6.0684 -14.93311      7.545687 
1 1 1 12 33 21 o 29.839  6.5645 12.326   3.3835  35.052  7.3208 24.627  10.899 10.42529       13.12904 
1 1 1 12 33 23 o 18.761  5.6620 0.8035   2.7331  13.318  6.3639 24.205  9.3666 -10.88730      11.32393 
1 1 1 12 33 25 o 28.576  6.6257 11.992   2.9691  28.875  7.8094 28.276  10.706 0.5984974      13.25139 
1 1 1 12 34 0  o 100.682 3.9699 103.110  7.9671  100.682 3.9699 ?       ?      0.000000       0.000000 
1 1 1 12 34 2  o 56.408  3.9448 33.416   3.1440  56.128  5.4515 56.688  5.7032 -0.5596581     7.889568 
1 1 1 12 34 4  f 21.212  6.4505 1.3760   3.4868  20.707  8.9182 21.716  9.3221 -1.009071      12.90098 
1 1 1 12 34 6  o 87.030  2.9419 78.096   3.5896  87.552  3.8246 86.508  4.4713 1.043442       5.883872 
1 1 1 12 34 8  o 102.519 2.5498 107.669  3.6913  102.469 3.7185 102.569 3.4897 -0.1001282     5.099569 
1 1 1 12 34 10 o 49.182  5.0383 27.341   3.2654  54.301  5.5286 44.063  8.4244 10.23797       10.07652 
1 1 1 12 34 12 o 21.071  6.1600 0.6320   3.2654  15.069  7.1926 27.074  10.003 -12.00499      12.32006 
1 1 1 12 34 14 o 22.720  6.1012 4.9800   2.8762  17.904  7.8690 27.536  9.3262 -9.632397      12.20239 
1 1 1 12 34 16 o 25.473  6.9531 7.2068   3.4399  19.825  8.3534 31.120  11.118 -11.29442      13.90619 
1 1 1 12 34 18 o 29.872  6.4940 12.245   3.0868  33.692  6.9203 26.052  10.991 7.640223       12.98798 
1 1 1 12 34 20 o 36.671  6.5346 18.386   3.2753  39.154  7.0388 34.189  11.012 4.965172       13.06929 
1 1 1 12 34 22 o 23.953  6.9512 8.3901   3.3173  22.220  8.1431 25.686  11.268 -3.465431      13.90241 
1 1 1 12 35 1  o 153.911 2.0979 240.972  4.5426  154.935 3.1300 152.887 2.7943 2.047745       4.195877 
1 1 1 12 35 3  o 110.004 2.7539 125.098  4.2691  107.128 4.0957 112.880 3.6824 -5.751762      5.507752 
1 1 1 12 35 5  o 31.435  6.6014 11.935   3.2310  25.582  9.1106 37.288  9.5558 -11.70597      13.20286 
1 1 1 12 35 7  o 18.051  5.7195 -0.5674  3.0307  18.676  8.2386 17.425  7.9357 1.251783       11.43894 
1 1 1 12 35 9  o 23.482  6.5019 5.7331   3.2993  26.120  9.2890 20.844  9.1003 5.276228       13.00382 
1 1 1 12 35 11 o 19.429  6.1539 0.5029   3.4811  18.840  8.4411 20.018  8.9572 -1.177624      12.30784 
1 1 1 12 35 13 o 24.523  6.9192 7.0588   3.6549  25.557  9.7445 23.488  9.8258 2.068554       13.83843 
1 1 1 12 35 15 o 26.023  6.4815 9.1979   2.9595  26.581  9.4616 25.466  8.8610 1.115105       12.96302 
1 1 1 12 35 17 o 25.086  6.7003 8.3365   3.3254  26.585  8.8754 23.587  10.040 2.997871       13.40052 
1 1 1 12 35 19 o 18.134  5.7052 0.3474   3.2144  19.911  8.1641 16.358  7.9715 3.553101       11.41040 
1 1 1 12 36 0  o 70.426  4.9684 52.190   6.9279  70.426  4.9684 ?       ?      0.000000       0.000000 
1 1 1 12 36 2  o 57.701  3.7050 36.297   2.9707  50.485  5.7178 64.917  4.7134 -14.43264      7.410099 
1 1 1 12 36 4  o 34.935  6.8011 16.333   3.4868  33.049  10.085 36.822  9.1277 -3.773094      13.60221 
1 1 1 12 36 6  o 21.805  6.3555 2.1994   3.5785  26.967  9.9277 16.644  7.9378 10.32323       12.71093 
1 1 1 12 36 8  o 39.079  6.4987 20.448   3.5757  34.015  10.122 44.143  8.1536 -10.12778      12.99745 
1 1 1 12 36 10 o 35.777  6.4308 17.289   3.2555  36.244  9.3415 35.309  8.8408 0.9351387      12.86166 
1 1 1 12 36 12 o 25.954  6.8119 9.2173   3.3325  23.967  9.2137 27.940  10.036 -3.972536      13.62372 
1 1 1 12 36 14 o 17.448  5.6559 -0.9360  3.2555  15.723  7.5422 19.172  8.4305 -3.448853      11.31187 
1 1 1 12 36 16 o 32.793  6.9577 16.776   3.5040  34.670  8.8056 30.916  10.775 3.753981       13.91544 
1 1 1 12 37 1  o 50.976  5.2866 31.455   3.8068  52.801  7.4351 49.151  7.5174 3.649971       10.57319 
1 1 1 12 37 3  o 53.466  4.2011 32.120   3.1490  58.542  5.9170 48.389  5.9654 10.15309       8.402221 
1 1 1 12 37 5  o 20.780  6.2128 3.7011   3.1959  21.642  8.7049 19.918  8.8669 1.723846       12.42564 
1 1 1 12 37 7  o 24.878  6.0301 6.6495   3.0819  16.537  7.6263 33.220  9.3428 -16.68367      12.06021 
1 1 1 12 37 9  o 17.390  5.7685 -1.5528  3.6080  17.696  8.2554 17.084  8.0592 0.6119671      11.53698 
1 1 1 12 37 11 o 32.673  6.9511 17.145   3.8967  40.848  9.6176 24.497  10.039 16.35147       13.90228 
1 1 1 12 38 0  o 46.209  8.2249 25.980   6.9279  46.209  8.2249 ?       ?      0.000000       0.000000 
1 1 1 12 38 2  o 42.410  6.2225 24.812   3.5970  41.820  9.3483 43.001  8.2151 -1.181080      12.44507 
1 1 1 12 38 4  o 30.761  7.1251 14.734   3.6142  26.658  9.6935 34.864  10.445 -8.205425      14.25028 
1 1 1 13 1  0  o 692.470 5.7285 4797.32  79.324  692.470 5.7285 ?       ?      0.000000       0.000000 
1 1 1 13 1  2  o 272.793 2.0378 745.708  7.6018  274.597 2.4178 270.990 3.2808 3.607056       4.075505 
1 1 1 13 1  4  o 406.985 2.6669 1655.76  14.921  406.173 3.2265 407.798 4.2471 -1.624908      5.333712 
1 1 1 13 1  6  o 959.940 5.7004 9217.30  75.418  958.254 6.9526 961.627 9.0354 -3.373047      11.40074 
1 1 1 13 1  8  o 831.347 5.0250 6893.91  56.931  823.293 5.9465 839.401 8.1020 -16.10797      10.05007 
1 1 1 13 1  10 o 471.094 2.9030 2219.45  19.334  468.963 4.0502 473.224 4.1601 -4.261169      5.806093 
1 1 1 13 1  12 o 95.130  1.3829 90.928   1.8474  88.607  2.0850 101.654 1.8174 -13.04782      2.765862 
1 1 1 13 1  14 o 413.440 2.5625 1709.12  14.969  416.300 3.7027 410.580 3.5434 5.719757       5.125042 
1 1 1 13 1  16 f 265.872 1.8739 706.887  7.0414  258.740 2.6775 273.005 2.6222 -14.26483      3.747705 
1 1 1 13 1  18 o 382.312 2.4339 1459.72  13.132  373.448 3.3547 391.177 3.5273 -17.72882      4.867819 
1 1 1 13 1  20 o 200.675 1.5257 402.710  4.3292  197.942 2.1583 203.408 2.1571 -5.465088      3.051431 
1 1 1 13 1  22 o 97.989  1.5015 95.807   2.0639  96.400  1.9763 99.577  2.2611 -3.177544      3.003077 
1 1 1 13 1  24 o 146.173 1.5071 212.180  2.9913  142.982 1.7766 149.364 2.4351 -6.381165      3.014288 
1 1 1 13 1  26 o 96.283  1.5156 93.360   1.9612  98.059  1.7074 94.507  2.5046 3.551430       3.031189 
1 1 1 13 1  28 o 80.259  1.7914 65.017   1.8542  81.676  1.8378 78.843  3.0754 2.833725       3.582708 
1 1 1 13 1  30 o 76.467  1.9822 58.623   2.0404  76.784  2.2556 76.149  3.2600 0.6347198      3.964301 
1 1 1 13 1  32 o 83.415  1.8521 70.021   2.0596  84.508  2.0495 82.323  3.0857 2.184868       3.704294 
1 1 1 13 1  34 o 105.914 1.7811 111.549  2.5942  103.109 2.1837 108.720 2.8144 -5.611229      3.562200 
1 1 1 13 1  36 o 69.241  2.3648 47.860   2.2732  67.605  2.9889 70.876  3.6655 -3.271408      4.729600 
1 1 1 13 1  38 o 68.182  2.5356 47.155   2.3371  69.817  2.8942 66.547  4.1642 3.270470       5.071204 
1 1 1 13 1  40 o 71.741  2.4615 51.460   2.4167  69.939  2.9717 73.544  3.9250 -3.605103      4.923082 
1 1 1 13 1  42 o 41.994  4.6966 19.049   2.5884  45.351  5.0921 38.638  7.8932 6.712578       9.393188 
1 1 1 13 1  44 o 21.873  5.9759 3.9842   2.6189  20.422  8.1261 23.324  8.7642 -2.902159      11.95177 
1 1 1 13 1  46 o 15.716  5.1437 -2.8620  2.7085  15.705  7.2107 15.727  7.3375 -0.2108288E-01 10.28747 
1 1 1 13 1  48 o 18.939  5.8341 2.0489   2.9160  18.629  7.9802 19.248  8.5126 -0.6192169     11.66821 
1 1 1 13 2  1  o 264.452 1.8989 699.460  7.1006  265.227 2.6556 263.677 2.7150 1.550415       3.797804 
1 1 1 13 2  3  o 263.688 1.9037 689.341  6.8143  256.850 2.2477 270.525 3.0731 -13.67487      3.807359 
1 1 1 13 2  5  o 344.819 2.3974 1182.26  11.212  338.883 2.8109 350.754 3.8844 -11.87097      4.794816 
1 1 1 13 2  7  o 331.895 2.1832 1101.42  10.243  329.712 3.0467 334.077 3.1279 -4.364685      4.366482 
1 1 1 13 2  9  o 439.565 2.7731 1932.37  17.219  440.206 4.0263 438.924 3.8144 1.282562       5.546212 
1 1 1 13 2  11 o 651.200 3.8240 4242.28  35.217  651.510 5.4143 650.891 5.4017 0.6197510      7.648020 
1 1 1 13 2  13 o 273.775 1.8487 748.480  7.1420  279.077 2.6893 268.472 2.5375 10.60428       3.697443 
1 1 1 13 2  15 o 267.643 1.8293 714.311  6.9043  277.661 2.6406 257.626 2.5323 20.03448       3.658587 
1 1 1 13 2  17 o 213.499 1.5693 455.023  4.7087  216.526 2.3463 210.473 2.0847 6.053223       3.138655 
1 1 1 13 2  19 o 76.134  1.7471 58.705   1.8312  72.152  2.8005 80.117  2.0897 -7.965385      3.494281 
1 1 1 13 2  21 o 19.143  4.6076 3.3485   1.5010  20.138  6.5314 18.149  6.5008 1.989347       9.215184 
1 1 1 13 2  23 o 236.572 2.0637 559.570  6.8786  234.895 2.7773 238.248 3.0532 -3.353317      4.127424 
1 1 1 13 2  25 o 310.956 2.2258 969.227  9.4633  312.599 2.6410 309.313 3.5836 3.285858       4.451647 
1 1 1 13 2  27 o 161.391 1.5075 261.422  3.3583  163.387 1.8374 159.395 2.3905 3.992508       3.015049 
1 1 1 13 2  29 o 17.998  4.3877 1.2742   1.6327  11.432  5.3381 24.564  6.9651 -13.13244      8.775388 
1 1 1 13 2  31 o 134.186 1.5594 180.926  2.8512  135.923 1.8264 132.448 2.5281 3.474945       3.118847 
1 1 1 13 2  33 o 50.303  2.7371 25.340   1.8991  49.869  3.3573 50.737  4.3239 -0.8675461     5.474274 
1 1 1 13 2  35 o 54.153  2.8739 30.027   2.0971  57.383  3.2195 50.923  4.7616 6.460022       5.747895 
1 1 1 13 2  37 f 42.960  4.1618 19.993   2.2625  50.331  4.1294 35.589  7.2270 14.74202       8.323574 
1 1 1 13 2  39 o 120.426 1.8382 145.842  3.1004  121.495 2.3759 119.357 2.8054 2.137657       3.676328 
1 1 1 13 2  41 o 52.761  3.2108 28.260   2.3928  52.026  4.4387 53.497  4.6404 -1.470898      6.421537 
1 1 1 13 2  43 o 36.646  5.0630 14.643   2.4930  38.240  5.7369 35.052  8.3440 3.188190       10.12595 
1 1 1 13 2  45 o 19.830  5.8099 2.2050   2.6842  20.736  8.3457 18.924  8.0851 1.812387       11.61981 
1 1 1 13 2  47 o 17.389  5.3834 0.4606   2.5662  18.488  7.8093 16.291  7.4122 2.197472       10.76688 
1 1 1 13 2  49 o 17.833  5.6641 1.0969   3.0021  18.947  8.3026 16.720  7.7069 2.227591       11.32825 
1 1 1 13 3  0  o 1559.01 14.278 24344.09 445.116 1559.01 14.278 ?       ?      0.000000       0.000000 
1 1 1 13 3  2  o 668.364 4.0317 4468.04  38.078  671.319 5.8221 665.408 5.5788 5.911072       8.063486 
1 1 1 13 3  4  o 221.943 1.7731 493.060  5.4190  221.200 2.8188 222.687 2.1518 -1.486984      3.546221 
1 1 1 13 3  6  o 347.217 2.3301 1206.44  11.424  343.866 3.4082 350.569 3.1784 -6.702850      4.660243 
1 1 1 13 3  8  o 185.576 1.5398 344.340  4.0404  183.865 2.1666 187.286 2.1886 -3.421783      3.079615 
1 1 1 13 3  10 o 560.232 3.3811 3139.53  26.787  559.950 4.7633 560.515 4.7997 -0.5653687     6.762169 
1 1 1 13 3  12 o 825.141 4.7769 6813.27  55.739  822.990 6.8045 827.291 6.7063 -4.300964      9.553833 
1 1 1 13 3  14 o 261.024 1.8769 681.472  6.9279  258.945 2.6754 263.103 2.6331 -4.158081      3.753837 
1 1 1 13 3  16 o 1226.56 10.728 15382.48 161.031 1190.40 19.040 1262.72 9.8894 -72.32385      21.45551 
1 1 1 13 3  18 o 556.703 3.3326 3100.44  26.228  547.446 4.6929 565.959 4.7332 -18.51276      6.665267 
1 1 1 13 3  20 o 579.519 3.7138 3358.24  30.155  583.979 5.6350 575.058 4.8390 8.920959       7.427606 
1 1 1 13 3  22 o 119.634 1.4366 143.330  2.4193  118.282 2.1476 120.987 1.9087 -2.705101      2.873214 
1 1 1 13 3  24 f 302.187 2.1682 914.999  8.8553  303.341 2.4932 301.033 3.5479 2.307800       4.336352 
1 1 1 13 3  26 o 266.650 2.0193 712.099  7.3827  267.329 2.4187 265.970 3.2342 1.359924       4.038647 
1 1 1 13 3  28 o 95.332  1.6763 91.530   2.1773  97.340  1.9572 93.325  2.7219 4.015442       3.352547 
1 1 1 13 3  30 o 150.403 1.6157 225.193  3.2231  148.508 1.7882 152.298 2.6914 -3.789642      3.231351 
1 1 1 13 3  32 o 163.509 1.6208 266.421  3.6430  160.868 1.9738 166.150 2.5713 -5.281662      3.241535 
1 1 1 13 3  34 o 133.993 1.5906 179.310  2.9621  132.314 2.0071 135.673 2.4680 -3.358704      3.181154 
1 1 1 13 3  36 o 41.908  3.5634 17.674   2.0879  41.324  4.6104 42.492  5.4347 -1.168297      7.126774 
1 1 1 13 3  38 o 59.530  2.7498 35.905   2.2362  60.614  3.2384 58.446  4.4451 2.168049       5.499594 
1 1 1 13 3  40 o 25.847  6.4726 4.2386   2.8352  16.176  7.0465 35.517  10.859 -19.34100      12.94521 
1 1 1 13 3  42 o 46.433  3.4406 22.058   2.2279  45.993  4.3933 46.872  5.2963 -0.8788300     6.881252 
1 1 1 13 3  44 o 20.029  5.6093 2.4424   2.4506  16.905  7.3902 23.152  8.4405 -6.247803      11.21861 
1 1 1 13 3  46 o 45.491  4.1875 22.707   2.6842  43.605  6.2227 47.378  5.6053 -3.772900      8.375073 
1 1 1 13 3  48 o 16.382  5.2427 -0.9572  2.6818  17.830  7.7689 14.934  7.0419 2.895948       10.48545 
1 1 1 13 4  1  o 288.209 2.1166 827.138  8.3935  292.761 3.3524 283.656 2.5848 9.105347       4.233177 
1 1 1 13 4  3  o 271.566 2.1134 727.423  7.7175  281.606 3.4442 261.527 2.4503 20.07840       4.226885 
1 1 1 13 4  5  o 402.717 2.7671 1608.33  14.899  411.462 4.5601 393.972 3.1359 17.49075       5.534293 
1 1 1 13 4  7  o 549.594 3.4498 3022.06  26.142  549.082 5.4675 550.107 4.2084 -1.025269      6.899537 
1 1 1 13 4  9  o 215.638 1.6002 465.098  4.8768  214.794 2.3115 216.481 2.2135 -1.687210      3.200402 
1 1 1 13 4  11 o 372.055 2.4149 1384.55  12.692  371.689 3.5103 372.422 3.3174 -0.7326355     4.829859 
1 1 1 13 4  13 o 127.136 1.2851 161.572  2.3078  122.277 1.8414 131.995 1.7933 -9.717346      2.570291 
1 1 1 13 4  15 o 370.001 2.3439 1366.20  12.226  360.770 3.2005 379.233 3.4253 -18.46292      4.687833 
1 1 1 13 4  17 o 232.873 1.7004 542.395  5.6000  233.208 2.4013 232.538 2.4082 0.6693878      3.400855 
1 1 1 13 4  19 o 161.128 1.8374 255.894  3.8055  165.775 3.1343 156.482 1.9185 9.293701       3.674845 
1 1 1 13 4  21 o 89.842  1.5512 80.560   1.9561  81.329  2.2716 98.355  2.1131 -17.02628      3.102462 
1 1 1 13 4  23 o 211.201 1.6822 446.328  5.0227  208.126 2.4133 214.276 2.3440 -6.150421      3.364306 
1 1 1 13 4  25 o 244.833 1.8979 600.783  6.4502  246.664 2.3639 243.001 2.9698 3.663589       3.795736 
1 1 1 13 4  27 o 82.342  1.8198 67.458   2.0594  80.600  2.2205 84.084  2.8837 -3.484024      3.639550 
1 1 1 13 4  29 o 75.324  1.8708 57.046   1.9204  76.408  2.1912 74.240  3.0328 2.168892       3.741559 
1 1 1 13 4  31 f 101.462 1.5930 102.873  2.2625  100.475 2.0685 102.450 2.4231 -1.974861      3.185966 
1 1 1 13 4  33 o 88.824  1.7799 80.011   2.1695  93.129  2.1077 84.520  2.8689 8.608994       3.559899 
1 1 1 13 4  35 o 40.772  3.5367 16.782   1.9942  41.229  4.3409 40.315  5.5849 0.9141159      7.073490 
1 1 1 13 4  37 o 108.568 1.8290 118.054  2.7759  107.694 2.3587 109.441 2.7959 -1.747177      3.657927 
1 1 1 13 4  39 o 56.593  3.1567 32.457   2.4845  56.770  3.9661 56.415  4.9121 0.3551559      6.313334 
1 1 1 13 4  41 o 45.453  4.3411 21.570   2.6532  47.613  4.8501 43.293  7.2011 4.320278       8.682152 
1 1 1 13 4  43 o 15.356  4.9405 -2.4614  2.3656  14.081  6.5912 16.631  7.3614 -2.550034      9.881026 
1 1 1 13 4  45 o 39.251  4.8065 17.037   2.5967  42.418  6.2607 36.085  7.2948 6.333267       9.613030 
1 1 1 13 4  47 o 18.528  5.4929 2.2818   2.4193  19.339  8.0180 17.717  7.5100 1.622349       10.98587 
1 1 1 13 4  49 o 20.294  6.3171 3.8240   3.5839  21.069  8.8179 19.518  9.0481 1.550768       12.63424 
1 1 1 13 5  0  o 344.675 3.0993 1188.36  21.361  344.675 3.0993 ?       ?      0.000000       0.000000 
1 1 1 13 5  2  o 775.620 4.6303 6021.15  49.748  774.256 7.2701 776.984 5.7362 -2.727844      9.260560 
1 1 1 13 5  4  o 639.189 4.1242 4087.18  36.197  639.142 6.5849 639.235 4.9673 -0.9301758E-01 8.248330 
1 1 1 13 5  6  o 217.238 1.7380 476.017  5.1769  210.393 2.7989 224.083 2.0611 -13.68997      3.475921 
1 1 1 13 5  8  o 317.048 2.3694 1006.74  10.040  315.892 3.9293 318.203 2.6489 -2.311127      4.738812 
1 1 1 13 5  10 o 414.950 2.6772 1727.86  15.360  409.237 4.2322 420.664 3.2801 -11.42694      5.354462 
1 1 1 13 5  12 o 690.910 4.0595 4775.98  39.654  691.661 5.8178 690.159 5.6632 1.501648       8.118993 
1 1 1 13 5  14 o 44.749  2.0078 20.033   1.2701  44.039  2.8841 45.458  2.7940 -1.419163      4.015511 
1 1 1 13 5  16 o 255.801 1.7553 654.084  6.3458  259.276 2.5161 252.326 2.4482 6.949051       3.510624 
1 1 1 13 5  18 o 288.250 2.1766 826.097  8.6504  294.914 3.4258 281.585 2.6858 13.32861       4.353140 
1 1 1 13 5  20 o 94.612  1.4730 89.774   1.9629  89.700  2.1883 99.524  1.9723 -9.824249      2.945939 
1 1 1 13 5  22 o 249.087 2.0006 622.380  6.9877  253.684 2.5944 244.490 3.0461 9.193878       4.001202 
1 1 1 13 5  24 o 13.419  4.1691 -1.0261  1.5032  11.176  5.1411 15.662  6.5646 -4.485958      8.338160 
1 1 1 13 5  26 o 41.610  2.6685 17.675   1.5163  44.669  3.1019 38.551  4.3429 6.117352       5.336905 
1 1 1 13 5  28 o 138.403 1.4822 191.683  2.8577  138.453 1.8764 138.353 2.2951 0.1002045      2.964492 
1 1 1 13 5  30 o 18.272  4.4807 1.4075   1.6424  11.498  5.3168 25.046  7.2137 -13.54802      8.961321 
1 1 1 13 5  32 o 39.492  3.7516 16.641   1.8614  44.236  3.6543 34.748  6.5532 9.487740       7.503203 
1 1 1 13 5  34 o 77.954  1.9696 60.816   2.1461  77.341  2.5380 78.567  3.0127 -1.226837      3.939282 
1 1 1 13 5  36 o 112.132 1.7475 125.763  2.7603  109.831 2.3654 114.432 2.5730 -4.600502      3.495071 
1 1 1 13 5  38 f 62.655  2.7045 39.585   2.3955  63.938  3.7923 61.371  3.8569 2.567265       5.409032 
1 1 1 13 5  40 o 81.846  2.1696 67.279   2.5031  80.253  2.9495 83.439  3.1828 -3.186180      4.339288 
1 1 1 13 5  42 o 29.245  5.3132 9.3496   2.2193  31.652  7.4175 26.839  7.6092 4.813690       10.62634 
1 1 1 13 5  44 o 26.773  5.5759 8.1417   2.2963  24.444  8.3982 29.102  7.3370 -4.658312      11.15175 
1 1 1 13 5  46 o 19.167  5.6025 2.5140   2.5350  17.553  7.7453 20.780  8.0971 -3.226614      11.20501 
1 1 1 13 5  48 o 18.162  5.5441 1.4519   2.6827  16.992  7.7802 19.333  7.9005 -2.341694      11.08827 
1 1 1 13 6  1  o 501.225 3.1072 2512.48  22.018  499.039 4.3383 503.412 4.4497 -4.373260      6.214498 
1 1 1 13 6  3  o 710.840 4.1608 5054.38  41.818  707.899 5.8230 713.780 5.9449 -5.880249      8.321570 
1 1 1 13 6  5  o 322.883 2.2804 1048.42  10.119  316.227 3.6513 329.540 2.7330 -13.31247      4.560842 
1 1 1 13 6  7  o 821.932 4.9655 6751.25  55.878  825.483 7.9589 818.381 5.9398 7.102173       9.931057 
1 1 1 13 6  9  o 877.654 5.1447 7731.21  62.672  865.644 8.0632 889.664 6.3919 -24.02020      10.28936 
1 1 1 13 6  11 o 786.246 4.8479 6196.33  52.656  781.095 7.6647 791.397 5.9381 -10.30200      9.695802 
1 1 1 13 6  13 o 197.465 1.5585 389.120  4.1800  198.762 2.5270 196.167 1.8247 2.595169       3.116908 
1 1 1 13 6  15 o 227.969 1.8960 519.063  6.0304  229.637 2.9163 226.302 2.4236 3.334824       3.791908 
1 1 1 13 6  17 o 334.406 2.3686 1115.36  11.046  339.561 3.6384 329.250 3.0335 10.31067       4.737101 
1 1 1 13 6  19 o 307.246 2.0859 943.929  9.0581  303.604 2.9094 310.889 2.9898 -7.284576      4.171737 
1 1 1 13 6  21 o 177.856 1.8017 315.408  4.5171  187.964 2.5493 167.749 2.5468 20.21492       3.603482 
1 1 1 13 6  23 o 493.903 3.1240 2441.71  21.808  501.025 4.4709 486.781 4.3645 14.24466       6.247987 
1 1 1 13 6  25 o 252.515 1.9426 637.843  6.7299  252.164 2.3353 252.866 3.1050 -0.7017822     3.885194 
1 1 1 13 6  27 o 55.124  2.2546 30.454   1.6839  55.292  2.6103 54.955  3.6769 0.3368416      4.509235 
1 1 1 13 6  29 o 202.506 1.7451 409.812  4.8837  201.247 2.1516 203.766 2.7483 -2.519501      3.490290 
1 1 1 13 6  31 o 139.766 1.5167 196.014  2.9393  141.369 1.8786 138.163 2.3818 3.206131       3.033458 
1 1 1 13 6  33 o 65.411  2.0694 42.776   1.8772  64.680  2.5885 66.143  3.2295 -1.462738      4.138850 
1 1 1 13 6  35 o 61.368  2.5301 37.831   2.1923  61.892  3.4513 60.844  3.7006 1.047859       5.060233 
1 1 1 13 6  37 o 104.139 1.7058 108.736  2.5084  103.706 2.3381 104.572 2.4844 -0.8660889     3.411569 
1 1 1 13 6  39 o 84.415  2.0785 71.314   2.4704  89.648  2.9623 79.182  2.9164 10.46613       4.157059 
1 1 1 13 6  41 o 41.254  3.5752 17.464   2.0768  42.540  4.7500 39.967  5.3446 2.572834       7.150318 
1 1 1 13 6  43 o 44.282  4.0240 20.453   2.5084  47.475  5.4722 41.088  5.9014 6.387768       8.048088 
1 1 1 13 6  45 o 43.543  3.7898 19.911   2.3093  46.298  5.6114 40.789  5.0954 5.509068       7.579619 
1 1 1 13 6  47 o 38.388  5.4648 18.319   2.7111  34.683  9.5313 42.093  5.3490 -7.410412      10.92965 
1 1 1 13 6  49 o 20.651  6.4297 4.1042   3.1727  22.506  10.347 18.797  7.6359 3.709225       12.85934 
1 1 1 13 7  0  o 1033.23 8.3490 10682.21 172.504 1033.23 8.3490 ?       ?      0.000000       0.000000 
1 1 1 13 7  2  f 497.226 3.0871 2472.85  21.707  501.469 4.3518 492.983 4.3798 8.486328       6.174220 
1 1 1 13 7  4  o 987.772 5.7819 9764.77  80.759  989.567 8.2436 985.977 8.1096 3.589600       11.56386 
1 1 1 13 7  6  o 460.957 3.0236 2133.75  19.190  453.943 4.8201 467.972 3.6517 -14.02911      6.047157 
1 1 1 13 7  8  o 318.309 2.2059 1011.84  9.6401  319.981 3.5183 316.638 2.6620 3.343079       4.411860 
1 1 1 13 7  10 o 459.100 2.9355 2106.77  18.488  460.258 4.6913 457.942 3.5299 2.315643       5.870973 
1 1 1 13 7  12 o 280.372 2.0648 775.575  7.4865  288.112 3.5067 272.633 2.1811 15.47952       4.129652 
1 1 1 13 7  14 o 88.564  1.4842 77.977   1.7155  89.703  2.5100 87.426  1.5849 2.277214       2.968490 
1 1 1 13 7  16 o 356.643 3.2344 1273.55  13.943  356.296 5.7522 356.991 2.9595 -0.6956177     6.468896 
1 1 1 13 7  18 o 213.628 1.9387 449.480  5.2583  219.745 3.3366 207.512 1.9753 12.23286       3.877461 
1 1 1 13 7  20 o 230.050 2.0680 529.557  6.7257  234.065 2.8858 226.035 2.9628 8.029648       4.135947 
1 1 1 13 7  22 o 173.218 1.5836 299.363  3.8258  175.545 2.4337 170.891 2.0270 4.653091       3.167245 
1 1 1 13 7  24 o 259.130 2.0861 670.828  7.5467  256.732 2.6760 261.527 3.2009 -4.795319      4.172122 
1 1 1 13 7  26 o 208.335 1.7268 435.406  5.0039  210.748 2.1641 205.923 2.6914 4.825562       3.453596 
1 1 1 13 7  28 o 210.633 1.7666 446.374  5.1183  214.782 2.1235 206.484 2.8239 8.297638       3.533234 
1 1 1 13 7  30 o 42.108  2.7803 18.103   1.6083  45.544  3.2958 38.673  4.4786 6.871403       5.560555 
1 1 1 13 7  32 o 92.600  1.6298 86.523   2.0879  95.761  1.9895 89.440  2.5819 6.320503       3.259531 
1 1 1 13 7  34 o 75.654  1.8755 57.603   1.9813  77.648  2.3792 73.659  2.9000 3.989365       3.751076 
1 1 1 13 7  36 o 157.261 1.5923 248.638  3.5065  160.569 2.0494 153.952 2.4375 6.616318       3.184587 
1 1 1 13 7  38 o 44.249  3.2876 19.899   2.0458  43.180  4.9470 45.318  4.3314 -2.138779      6.575212 
1 1 1 13 7  40 o 39.435  3.4118 15.724   1.8894  41.493  5.0089 37.377  4.6338 4.116310       6.823544 
1 1 1 13 7  42 o 16.047  4.7842 -0.1741  1.9129  19.555  7.6040 12.540  5.8082 7.015141       9.568465 
1 1 1 13 7  44 o 53.940  3.3681 30.945   2.3555  50.846  5.7908 57.035  3.4415 -6.189819      6.736266 
1 1 1 13 7  46 o 20.031  5.6285 3.0904   2.3772  24.728  8.9993 15.335  6.7625 9.392868       11.25692 
1 1 1 13 7  48 o 20.131  5.0555 2.7927   2.0999  28.296  8.3870 11.966  5.6472 16.33052       10.11103 
1 1 1 13 8  1  o 631.058 3.7718 3984.09  33.658  627.484 5.3823 634.631 5.2853 -7.146606      7.543513 
1 1 1 13 8  3  o 994.408 5.7820 9893.81  81.275  1004.12 8.2793 984.694 8.0733 19.42712       11.56398 
1 1 1 13 8  5  o 219.481 1.6561 481.891  5.1382  223.177 2.3023 215.785 2.3812 7.391464       3.312163 
1 1 1 13 8  7  o 483.026 2.9755 2334.07  20.322  478.430 4.2597 487.621 4.1557 -9.191986      5.951009 
1 1 1 13 8  9  o 430.676 2.7389 1855.34  16.257  430.609 4.3439 430.744 3.3373 -0.1350403     5.477897 
1 1 1 13 8  11 o 384.224 2.5740 1478.38  13.625  382.549 4.0898 385.898 3.1267 -3.349030      5.148098 
1 1 1 13 8  13 o 201.378 1.5509 402.204  4.2593  206.677 2.4861 196.078 1.8549 10.59949       3.101845 
1 1 1 13 8  15 o 458.328 2.8912 2104.26  18.418  455.900 4.5082 460.756 3.6211 -4.856171      5.782403 
1 1 1 13 8  17 o 21.339  4.2729 4.2895   1.4067  17.485  7.6062 25.193  3.8958 -7.707874      8.545819 
1 1 1 13 8  19 o 42.478  3.1883 21.021   1.4379  33.095  5.9754 51.862  2.2264 -18.76676      6.376677 
1 1 1 13 8  21 o 306.518 2.1532 946.339  9.0844  298.633 3.4411 314.404 2.5891 -15.77118      4.306374 
1 1 1 13 8  23 o 275.366 2.1436 764.070  7.9242  270.141 3.5476 280.591 2.4073 -10.44943      4.287269 
1 1 1 13 8  25 o 192.096 1.7749 369.229  4.8163  191.365 2.4437 192.828 2.5748 -1.463379      3.549817 
1 1 1 13 8  27 o 144.090 1.4674 208.409  2.9595  147.021 1.8849 141.159 2.2494 5.862076       2.934734 
1 1 1 13 8  29 o 52.655  1.8586 27.596   1.3760  50.029  2.5387 55.282  2.7153 -5.252705      3.717238 
1 1 1 13 8  31 o 42.861  2.4254 18.282   1.4580  40.583  3.2719 45.139  3.5812 -4.556187      4.850810 
1 1 1 13 8  33 f 66.521  1.8103 44.323   1.7026  65.829  2.5433 67.213  2.5768 -1.384377      3.620567 
1 1 1 13 8  35 o 15.293  4.4574 0.7291   1.5502  16.143  6.5756 14.443  6.0194 1.699979       8.914707 
1 1 1 13 8  37 o 43.105  2.5571 18.615   1.5502  46.296  3.6164 39.914  3.6160 6.381462       5.114110 
1 1 1 13 8  39 o 17.480  4.8365 1.9667   1.7012  18.799  7.2934 16.161  6.3540 2.637262       9.672995 
1 1 1 13 8  41 o 75.468  1.8998 57.366   2.0058  75.572  2.9029 75.364  2.4514 0.2086792      3.799508 
1 1 1 13 8  43 o 57.032  2.4621 32.804   1.8797  58.478  4.0477 55.587  2.8042 2.891438       4.924194 
1 1 1 13 8  45 o 18.912  5.0559 3.2670   1.9018  17.680  7.5031 20.143  6.7787 -2.463247      10.11175 
1 1 1 13 8  47 o 15.012  4.5871 0.0391   1.8797  13.906  6.5427 16.118  6.4311 -2.212111      9.174208 
1 1 1 13 9  0  o 943.187 7.6034 8901.28  143.407 943.187 7.6034 ?       ?      0.000000       0.000000 
1 1 1 13 9  2  o 577.153 3.4985 3332.32  28.538  576.589 5.0464 577.717 4.8467 -1.127869      6.996903 
1 1 1 13 9  4  o 255.946 1.8113 655.185  6.5464  255.697 2.6417 256.195 2.4788 -0.4976959     3.622548 
1 1 1 13 9  6  o 276.300 1.9065 763.141  7.4434  267.587 2.7185 285.012 2.6738 -17.42480      3.813040 
1 1 1 13 9  8  o 189.910 1.4642 361.093  3.9224  187.006 2.1610 192.813 1.9762 -5.807251      2.928367 
1 1 1 13 9  10 o 344.935 2.3129 1192.59  10.908  342.488 3.7253 347.382 2.7422 -4.894470      4.625766 
1 1 1 13 9  12 o 338.384 2.2896 1142.59  10.595  341.067 3.6732 335.702 2.7344 5.364929       4.579190 
1 1 1 13 9  14 o 370.869 2.4742 1376.38  12.588  370.527 3.9576 371.211 2.9705 -0.6841125     4.948398 
1 1 1 13 9  16 o 303.685 2.6756 911.266  10.252  310.519 4.6295 296.850 2.6839 13.66870       5.351168 
1 1 1 13 9  18 o 441.479 2.9625 1955.41  18.351  433.740 4.4989 449.217 3.8555 -15.47711      5.924960 
1 1 1 13 9  20 o 236.118 1.8700 561.844  6.0497  229.943 3.0129 242.294 2.2160 -12.35007      3.740023 
1 1 1 13 9  22 o 259.730 2.0132 674.063  7.0104  260.710 3.3216 258.751 2.2758 1.958313       4.026493 
1 1 1 13 9  24 o 189.457 1.7677 362.815  4.5684  182.964 2.8714 195.949 2.0624 -12.98523      3.535314 
1 1 1 13 9  26 o 246.799 1.8246 610.094  6.3248  245.382 2.7527 248.216 2.3957 -2.834549      3.649201 
1 1 1 13 9  28 o 126.049 1.5482 159.712  2.7347  121.945 2.3671 130.153 1.9961 -8.208084      3.096396 
1 1 1 13 9  30 o 129.523 2.2239 168.727  3.9208  131.120 2.5978 127.925 3.6104 3.195313       4.447840 
1 1 1 13 9  32 o 111.461 1.5349 124.097  2.3371  112.344 2.4667 110.578 1.8273 1.766388       3.069781 
1 1 1 13 9  34 o 53.556  2.7504 29.876   1.4938  51.308  5.1760 55.803  1.8622 -4.495285      5.500786 
1 1 1 13 9  36 o 69.725  2.6296 45.682   1.6916  74.135  4.9839 65.315  1.6794 8.820175       5.259290 
1 1 1 13 9  38 o 48.986  4.5111 24.793   3.0668  50.801  5.5686 47.171  7.0986 3.630154       9.022178 
1 1 1 13 9  40 o 36.539  5.0120 11.623   1.9123  28.376  4.4760 44.702  8.9691 -16.32591      10.02397 
1 1 1 13 9  42 o 34.413  5.8661 13.394   2.1650  37.163  3.8837 31.663  11.071 5.500105       11.73211 
1 1 1 13 9  44 o 39.791  7.3989 21.017   4.6309  49.479  6.7675 30.103  13.160 19.37589       14.79785 
1 1 1 13 9  46 o 17.984  5.9341 -2.5005  3.6804  17.339  8.1014 18.629  8.6730 -1.289381      11.86815 
1 1 1 13 9  48 o 20.287  6.5076 2.4680   4.1866  18.826  8.9971 21.748  9.4046 -2.922012      13.01517 
1 1 1 13 10 1  o 555.021 3.3729 3081.92  26.469  551.291 4.8277 558.751 4.7116 -7.460144      6.745768 
1 1 1 13 10 3  o 610.925 3.6414 3730.31  31.417  601.490 5.0295 620.361 5.2673 -18.87067      7.282878 
1 1 1 13 10 5  o 284.580 1.9720 808.709  7.9255  275.178 2.7694 293.981 2.8082 -18.80283      3.944056 
1 1 1 13 10 7  o 591.044 3.5191 3495.08  29.414  590.528 4.9566 591.560 4.9968 -1.032410      7.038181 
1 1 1 13 10 9  o 156.111 1.5298 243.717  3.3771  155.039 2.1598 157.184 2.1670 -2.144638      3.059505 
1 1 1 13 10 11 o 304.332 2.1917 927.250  9.2961  302.912 3.3925 305.753 2.7757 -2.840637      4.383314 
1 1 1 13 10 13 o 290.943 2.0113 842.581  7.9638  295.353 3.2448 286.533 2.3775 8.820679       4.022592 
1 1 1 13 10 15 o 270.141 2.0442 731.133  7.5255  268.791 3.3077 271.490 2.4029 -2.698761      4.088387 
1 1 1 13 10 17 o 206.456 1.7551 427.785  5.0273  203.331 2.7541 209.580 2.1762 -6.248688      3.510138 
1 1 1 13 10 19 o 84.241  1.7963 74.346   1.7931  78.201  3.2483 90.280  1.5347 -12.07928      3.592635 
1 1 1 13 10 21 o 225.220 1.8846 502.012  5.5349  230.444 3.1817 219.996 2.0207 10.44829       3.769111 
1 1 1 13 10 23 o 189.623 2.0439 361.429  4.6564  188.326 3.6480 190.920 1.8446 -2.594360      4.087842 
1 1 1 13 10 25 o 306.171 2.0902 939.148  9.0195  303.593 3.0997 308.749 2.8048 -5.156586      4.180300 
1 1 1 13 10 27 o 100.487 1.5817 101.823  2.1194  98.491  2.6377 102.482 1.7464 -3.990440      3.163461 
1 1 1 13 10 29 o 245.051 2.4021 602.710  7.8826  246.136 2.6974 243.967 3.9756 2.169281       4.804257 
1 1 1 13 10 31 o 88.772  2.6732 78.258   3.0922  86.804  2.8599 90.741  4.5173 -3.936783      5.346463 
1 1 1 13 10 33 o 42.006  6.2684 18.691   3.6062  42.652  8.9486 41.359  8.7803 1.292892       12.53678 
1 1 1 13 10 35 o 51.411  4.0097 26.696   2.8923  49.850  5.3274 52.972  5.9942 -3.122349      8.019464 
1 1 1 13 10 37 o 57.463  3.9945 32.796   3.1492  51.759  5.1309 63.166  6.1236 -11.40695      7.989028 
1 1 1 13 10 39 o 46.683  5.2971 23.526   3.2411  50.557  5.7097 42.810  8.9239 7.746368       10.59417 
1 1 1 13 10 41 o 35.294  6.5246 14.529   3.2753  39.203  7.0290 31.385  10.994 7.817596       13.04928 
1 1 1 13 10 43 f 32.523  6.6678 12.535   3.7543  40.668  8.5088 24.379  10.268 16.28892       13.33566 
1 1 1 13 10 45 o 22.813  7.2568 2.0839   4.5025  21.897  9.0100 23.728  11.378 -1.831535      14.51367 
1 1 1 13 10 47 f 26.088  7.3787 9.9509   4.2683  23.778  10.391 28.397  10.479 -4.619570      14.75730 
1 1 1 13 11 0  o 1012.95 8.2027 10269.19 166.154 1012.95 8.2027 ?       ?      0.000000       0.000000 
1 1 1 13 11 2  o 713.856 4.2232 5099.37  42.635  715.184 5.9816 712.527 5.9634 2.657410       8.446432 
1 1 1 13 11 4  o 62.693  1.8170 39.728   1.5871  68.126  2.2881 57.259  2.8231 10.86665       3.633907 
1 1 1 13 11 6  o 251.906 1.7906 633.378  6.3573  246.637 2.4344 257.175 2.6265 -10.53795      3.581174 
1 1 1 13 11 8  o 298.981 2.0494 894.330  8.6537  300.422 2.8057 297.541 2.9881 2.880341       4.098849 
1 1 1 13 11 10 o 134.331 1.4341 180.980  2.7085  130.892 2.1612 137.770 1.8857 -6.877762      2.868258 
1 1 1 13 11 12 o 371.588 2.5485 1381.59  13.313  371.336 3.8246 371.841 3.3692 -0.5050354     5.096946 
1 1 1 13 11 14 f 211.440 1.8170 445.073  5.1029  213.872 3.0233 209.008 2.0164 4.863876       3.634048 
1 1 1 13 11 16 o 150.877 1.4451 227.096  2.9097  151.865 2.3950 149.888 1.6177 1.977417       2.890135 
1 1 1 13 11 18 o 201.112 1.7763 393.750  4.6253  212.171 2.9931 190.053 1.9137 22.11757       3.552641 
1 1 1 13 11 20 o 222.864 1.8084 496.100  5.4677  223.984 2.9384 221.744 2.1089 2.240753       3.616819 
1 1 1 13 11 22 o 364.448 2.5487 1330.42  12.618  363.999 4.1396 364.896 2.9745 -0.8970337     5.097420 
1 1 1 13 11 24 o 212.379 2.0296 451.082  5.9827  213.265 3.1673 211.493 2.5387 1.771606       4.059116 
1 1 1 13 11 26 f 94.872  2.2637 89.512   2.8911  93.073  2.6052 96.670  3.7027 -3.596748      4.527377 
1 1 1 13 11 28 o 131.125 2.4288 171.581  4.4669  127.474 3.2156 134.775 3.6411 -7.301636      4.857684 
1 1 1 13 11 30 f 235.394 2.3886 556.492  7.5874  236.441 2.7347 234.346 3.9170 2.095535       4.777235 
1 1 1 13 11 32 o 27.708  6.6806 7.0952   3.0508  24.447  8.5726 30.969  10.248 -6.522474      13.36113 
1 1 1 13 11 34 o 24.264  6.3151 3.5332   2.9097  17.174  7.4941 31.355  10.167 -14.18032      12.63025 
1 1 1 13 11 36 o 28.330  6.3795 7.8072   2.9621  22.490  8.5447 34.170  9.4752 -11.68025      12.75903 
1 1 1 13 11 38 o 29.963  6.5054 9.0934   2.9280  24.741  8.3022 35.186  10.018 -10.44535      13.01075 
1 1 1 13 11 40 o 61.552  4.2769 40.194   3.5040  66.128  4.6271 56.975  7.1943 9.152374       8.553855 
1 1 1 13 11 42 o 49.610  5.0529 26.444   3.4977  46.816  6.6592 52.404  7.6015 -5.588840      10.10583 
1 1 1 13 11 44 o 18.982  6.1085 -0.7805  3.5563  18.174  8.2102 19.790  9.0470 -1.615818      12.21704 
1 1 1 13 11 46 o 27.464  6.8240 10.074   3.8129  33.448  9.6494 21.480  9.6517 11.96831       13.64799 
1 1 1 13 12 1  o 609.909 3.7725 3722.61  32.521  609.016 5.4413 610.802 5.2269 -1.785400      7.545065 
1 1 1 13 12 3  o 639.974 3.8046 4096.30  34.414  649.110 5.4432 630.838 5.3171 18.27161       7.609200 
1 1 1 13 12 5  o 114.322 1.4143 130.650  2.2771  122.276 1.9358 106.369 2.0625 15.90655       2.828629 
1 1 1 13 12 7  o 149.307 1.4647 222.766  3.0755  148.303 1.9464 150.312 2.1893 -2.008484      2.929425 
1 1 1 13 12 9  o 112.394 1.4539 125.753  2.2862  115.423 2.2008 109.365 1.9004 6.057907       2.907754 
1 1 1 13 12 11 o 145.002 1.3511 210.011  2.7663  141.977 1.8705 148.027 1.9501 -6.050140      2.702138 
1 1 1 13 12 13 o 197.438 1.7168 389.815  4.7855  196.680 2.3483 198.197 2.5051 -1.516846      3.433630 
1 1 1 13 12 15 o 334.800 2.3978 1123.26  11.101  332.707 3.7828 336.892 2.9475 -4.185089      4.795560 
1 1 1 13 12 17 o 277.603 2.1346 774.408  8.0777  273.700 3.4593 281.505 2.5020 -7.804871      4.269291 
1 1 1 13 12 19 o 283.373 2.1737 808.730  8.4099  277.273 3.5188 289.473 2.5528 -12.20038      4.347306 
1 1 1 13 12 21 o 119.618 1.6287 145.734  2.5540  114.636 2.7699 124.601 1.7143 -9.965424      3.257492 
1 1 1 13 12 23 o 103.649 1.8587 112.214  2.3040  96.580  3.3475 110.717 1.6165 -14.13665      3.717335 
1 1 1 13 12 25 o 111.223 2.0432 123.054  3.1456  108.257 2.5598 114.189 3.1852 -5.931641      4.086312 
1 1 1 13 12 27 o 157.323 2.2266 247.610  4.8873  156.231 2.8454 158.414 3.4257 -2.182953      4.453293 
1 1 1 13 12 29 o 53.282  3.6960 27.459   2.6426  47.573  4.4901 58.991  5.8719 -11.41842      7.391947 
1 1 1 13 12 31 o 16.219  5.2487 -3.6463  2.6739  15.934  7.1069 16.503  7.7257 -0.5690355     10.49733 
1 1 1 13 12 33 o 47.524  4.3692 22.779   2.8923  41.148  6.4541 53.901  5.8909 -12.75344      8.738309 
1 1 1 13 12 35 o 38.981  6.6931 16.012   3.3876  36.960  7.4466 41.002  11.124 -4.041737      13.38613 
1 1 1 13 12 37 o 79.518  3.2058 63.235   3.4453  76.773  3.7599 82.263  5.1933 -5.489609      6.411520 
1 1 1 13 12 39 o 64.655  4.1537 44.636   3.5064  70.106  4.2822 59.203  7.1186 10.90263       8.307354 
1 1 1 13 12 41 o 30.457  6.8852 10.304   3.2051  27.154  8.6757 33.761  10.694 -6.606661      13.77040 
1 1 1 13 12 43 o 24.201  6.3211 5.4331   3.1585  19.768  8.7408 28.633  9.1337 -8.864948      12.64223 
1 1 1 13 12 45 o 22.396  6.7279 4.7340   3.7056  20.281  8.9025 24.511  10.090 -4.229879      13.45572 
1 1 1 13 12 47 o 22.790  7.3033 6.2456   5.0039  21.739  9.8291 23.842  10.805 -2.103392      14.60666 
1 1 1 13 13 0  o 581.289 4.8574 3380.69  56.462  581.289 4.8574 ?       ?      0.000000       0.000000 
1 1 1 13 13 2  o 356.001 2.3830 1263.18  11.863  363.223 3.6239 348.778 3.0954 14.44479       4.765934 
1 1 1 13 13 4  o 214.650 1.6168 460.754  4.9045  214.005 2.2391 215.295 2.3329 -1.289505      3.233601 
1 1 1 13 13 6  o 354.269 2.4633 1256.14  12.306  352.413 3.6368 356.124 3.3233 -3.710938      4.926533 
1 1 1 13 13 8  f 555.994 3.3705 3093.74  26.489  554.596 4.6844 557.391 4.8474 -2.794678      6.740955 
1 1 1 13 13 10 o 306.458 2.1737 939.140  9.3817  305.297 2.9122 307.620 3.2280 -2.323242      4.347495 
1 1 1 13 13 12 o 440.854 2.8297 1944.54  17.620  439.188 3.8910 442.521 4.1096 -3.332092      5.659356 
1 1 1 13 13 14 o 136.069 1.3804 185.040  2.6507  137.468 2.0159 134.670 1.8863 2.797806       2.760734 
1 1 1 13 13 16 o 290.828 2.1406 847.349  8.5646  289.514 3.4099 292.142 2.5888 -2.627777      4.281282 
1 1 1 13 13 18 o 245.176 2.0476 603.305  7.0693  235.918 3.0589 254.433 2.7229 -18.51500      4.095234 
1 1 1 13 13 20 o 221.115 1.8073 493.167  5.5052  213.984 2.8868 228.245 2.1753 -14.26071      3.614642 
1 1 1 13 13 22 f 202.960 2.1583 408.708  5.2472  205.659 3.8459 200.260 1.9603 5.398254       4.316657 
1 1 1 13 13 24 o 167.738 2.4390 283.019  5.7117  171.702 3.0934 163.775 3.7719 7.926727       4.878098 
1 1 1 13 13 26 o 85.846  2.4750 72.965   2.9310  81.907  3.1014 89.785  3.8580 -7.878838      4.950022 
1 1 1 13 13 28 o 34.148  5.9482 12.352   2.7469  35.539  6.5828 32.757  9.9092 2.782036       11.89640 
1 1 1 13 13 30 o 93.443  2.5296 86.708   3.1196  91.203  2.7853 95.684  4.2236 -4.481071      5.059262 
1 1 1 13 13 32 o 101.935 2.0879 104.407  2.9976  103.759 2.7820 100.110 3.1141 3.649155       4.175806 
1 1 1 13 13 34 o 68.381  3.3296 47.643   3.1375  70.492  4.0131 66.271  5.3141 4.221458       6.659128 
1 1 1 13 13 36 o 27.733  6.7937 7.3376   3.0470  25.099  8.3021 30.368  10.756 -5.269030      13.58745 
1 1 1 13 13 38 o 29.137  7.2041 8.4722   3.4639  27.594  8.8670 30.681  11.357 -3.087437      14.40830 
1 1 1 13 13 40 o 55.879  4.1787 33.118   3.2289  61.237  5.0909 50.520  6.6280 10.71656       8.357484 
1 1 1 13 13 42 o 42.290  6.3481 21.895   3.6591  49.462  6.5363 35.118  10.884 14.34449       12.69617 
1 1 1 13 13 44 o 19.878  6.3943 -0.3414  3.9534  19.977  8.9142 19.779  9.1698 0.1982250      12.78861 
1 1 1 13 13 46 o 21.717  6.2251 5.7134   3.1133  19.086  8.4676 24.348  9.1274 -5.261417      12.45028 
1 1 1 13 14 1  o 277.756 2.1316 769.924  8.3314  272.202 2.8633 283.310 3.1586 -11.10718      4.263188 
1 1 1 13 14 3  o 93.733  1.6139 87.471   2.1111  91.487  2.0825 95.979  2.4662 -4.492203      3.227807 
1 1 1 13 14 5  o 98.206  1.6653 97.438   2.2801  106.907 2.1061 89.505  2.5801 17.40149       3.330527 
1 1 1 13 14 7  o 86.339  1.6234 75.093   1.9561  90.152  2.0492 82.527  2.5184 7.624870       3.246809 
1 1 1 13 14 9  o 279.560 2.5403 782.769  9.5478  280.362 2.8829 278.758 4.1835 1.604248       5.080652 
1 1 1 13 14 11 o 233.284 1.7596 541.451  5.7388  226.263 2.2964 240.305 2.6667 -14.04163      3.519218 
1 1 1 13 14 13 o 273.648 1.9468 749.161  7.5340  272.161 2.7576 275.135 2.7488 -2.973785      3.893645 
1 1 1 13 14 15 o 231.637 1.9235 537.374  6.2923  226.153 2.8081 237.122 2.6295 -10.96860      3.847012 
1 1 1 13 14 17 o 216.516 2.0397 465.871  5.5191  219.102 3.5572 213.931 1.9970 5.170822       4.079407 
1 1 1 13 14 19 o 277.473 2.1213 773.266  8.0012  274.478 3.4495 280.467 2.4701 -5.988220      4.242696 
1 1 1 13 14 21 o 272.469 2.0992 742.045  7.7849  273.777 3.3951 271.162 2.4697 2.615417       4.198330 
1 1 1 13 14 23 o 110.339 1.8252 121.635  2.6926  110.867 3.0203 109.811 2.0504 1.056519       3.650497 
1 1 1 13 14 25 o 147.632 2.6877 218.188  5.5619  148.951 4.0697 146.313 3.5118 2.637512       5.375425 
1 1 1 13 14 27 o 40.839  5.4855 18.592   2.7643  47.326  4.7576 34.352  9.8857 12.97367       10.97094 
1 1 1 13 14 29 f 57.444  4.0799 34.268   3.0063  61.017  4.0685 53.871  7.0731 7.146278       8.159704 
1 1 1 13 14 31 o 72.173  3.2791 52.079   3.0470  71.220  3.4046 73.126  5.6054 -1.906334      6.558299 
1 1 1 13 14 33 o 103.638 2.8034 108.152  3.9019  103.533 3.1784 103.744 4.6189 -0.2107925     5.606814 
1 1 1 13 14 35 f 52.490  4.5256 29.076   3.1103  56.450  4.7045 48.531  7.7324 7.919518       9.051118 
1 1 1 13 14 37 o 53.569  5.0382 29.344   3.6844  50.780  6.1393 56.358  7.9903 -5.577271      10.07646 
1 1 1 13 14 39 o 36.138  6.8851 15.039   3.6804  30.201  9.9230 42.075  9.5473 -11.87393      13.77013 
1 1 1 13 14 41 o 36.179  6.3641 16.141   3.5424  44.813  6.5703 27.545  10.901 17.26729       12.72824 
1 1 1 13 14 43 o 15.616  5.2621 -6.6098  3.2897  13.384  6.6083 17.848  8.1909 -4.463664      10.52428 
1 1 1 13 14 45 o 20.731  6.5238 2.3579   3.7765  18.053  8.2457 23.408  10.112 -5.354412      13.04766 
1 1 1 13 15 0  o 505.056 4.5160 2552.46  45.609  505.056 4.5160 ?       ?      0.000000       0.000000 
1 1 1 13 15 2  o 394.103 2.6201 1552.34  14.588  402.819 3.7550 385.388 3.6552 17.43158       5.240278 
1 1 1 13 15 4  o 401.501 2.7954 1614.36  15.824  397.745 4.1367 405.257 3.7609 -7.511353      5.590805 
1 1 1 13 15 6  o 473.026 3.3920 2223.61  22.115  485.844 5.3354 460.209 4.1900 25.63492       6.783990 
1 1 1 13 15 8  o 132.109 1.7505 174.481  3.2412  131.631 2.2807 132.587 2.6561 -0.9551392     3.500926 
1 1 1 13 15 10 o 66.323  2.0341 44.050   1.9052  68.369  2.7866 64.278  2.9640 4.091194       4.068188 
1 1 1 13 15 12 o 300.911 2.2047 906.081  9.3807  300.353 3.1523 301.469 3.0832 -1.116241      4.409454 
1 1 1 13 15 14 o 341.814 2.4364 1169.40  11.777  342.539 3.4551 341.090 3.4359 1.449524       4.872735 
1 1 1 13 15 16 o 104.293 1.4297 108.640  2.1037  109.827 1.9975 98.759  2.0460 11.06821       2.859438 
1 1 1 13 15 18 o 122.450 1.8391 148.493  3.0063  125.661 3.0322 119.240 2.0819 6.420364       3.678164 
1 1 1 13 15 20 o 213.671 1.7733 458.710  5.2605  209.724 2.7803 217.619 2.2019 -7.894867      3.546620 
1 1 1 13 15 22 o 52.362  2.7103 27.668   1.5425  51.881  5.0075 52.843  2.0758 -0.9620132     5.420679 
1 1 1 13 15 24 o 22.408  6.4241 1.8577   3.2044  23.148  8.8119 21.668  9.3503 1.480530       12.84828 
1 1 1 13 15 26 f 40.399  5.8394 18.160   2.9237  46.335  4.9839 34.463  10.562 11.87236       11.67872 
1 1 1 13 15 28 o 57.699  3.8907 33.359   3.0508  56.585  4.5913 58.812  6.2825 -2.227478      7.781335 
1 1 1 13 15 30 o 146.301 2.3877 215.036  4.8522  147.047 2.9838 145.555 3.7284 1.492188       4.775357 
1 1 1 13 15 32 o 21.393  6.3311 1.0382   3.2044  21.565  8.6407 21.222  9.2558 0.3425007      12.66222 
1 1 1 13 15 34 o 113.578 2.7429 129.501  4.1329  112.157 3.0370 115.000 4.5684 -2.843536      5.485759 
1 1 1 13 15 36 o 45.720  5.8993 22.141   3.6591  44.305  7.2971 47.136  9.2714 -2.830551      11.79865 
1 1 1 13 15 38 o 35.493  7.2491 13.509   3.6350  28.491  9.0392 42.495  11.335 -14.00334      14.49814 
1 1 1 13 15 40 o 36.228  6.2472 15.417   3.1711  36.464  8.5338 35.993  9.1260 0.4707031      12.49443 
1 1 1 13 15 42 o 49.588  6.0044 30.340   3.8035  53.809  6.0083 45.367  10.398 8.442829       12.00883 
1 1 1 13 15 44 o 21.107  6.4486 1.7536   3.6371  15.515  7.4195 26.699  10.549 -11.18342      12.89713 
1 1 1 13 16 1  o 343.586 2.2811 1180.65  11.080  348.237 3.2494 338.936 3.2023 9.301666       4.562129 
1 1 1 13 16 3  o 430.437 2.6880 1850.61  16.324  440.649 3.9043 420.226 3.6956 20.42297       5.375985 
1 1 1 13 16 5  o 294.136 2.2599 863.317  9.2961  298.567 3.4419 289.705 2.9294 8.862213       4.519737 
1 1 1 13 16 7  f 110.721 1.5178 122.943  2.3614  113.147 1.9899 108.295 2.2923 4.851982       3.035576 
1 1 1 13 16 9  o 268.856 1.9818 723.022  7.5286  267.539 2.7405 270.173 2.8634 -2.634064      3.963529 
1 1 1 13 16 11 o 188.497 1.6031 355.516  4.2722  185.802 2.2993 191.193 2.2345 -5.390457      3.206219 
1 1 1 13 16 13 o 153.395 1.6119 235.572  3.4907  155.240 2.1941 151.549 2.3619 3.691589       3.223781 
1 1 1 13 16 15 f 144.966 1.5072 210.302  3.0884  146.480 2.0889 143.452 2.1732 3.027786       3.014369 
1 1 1 13 16 17 o 236.605 1.8895 560.102  6.3152  238.233 2.7384 234.977 2.6043 3.256042       3.779076 
1 1 1 13 16 19 o 241.671 1.9692 584.844  6.7227  243.504 2.7028 239.839 2.8645 3.665115       3.938344 
1 1 1 13 16 21 o 82.070  2.0662 65.907   2.1154  85.275  3.5882 78.865  2.0497 6.410416       4.132344 
1 1 1 13 16 23 o 94.055  1.7981 85.521   2.0784  99.330  3.1386 88.780  1.7558 10.55015       3.596289 
1 1 1 13 16 25 o 138.733 2.3047 190.924  4.2025  135.523 2.5134 141.943 3.8639 -6.419952      4.609443 
1 1 1 13 16 27 o 41.355  4.7873 16.860   2.6509  34.873  6.5324 47.836  6.9999 -12.96240      9.574503 
1 1 1 13 16 29 o 102.986 2.6049 106.166  3.5606  102.260 2.8793 103.711 4.3420 -1.450409      5.209896 
1 1 1 13 16 31 o 47.447  5.8205 23.701   3.5181  48.611  5.9381 46.284  10.013 2.327957       11.64109 
1 1 1 13 16 33 o 86.424  3.4979 76.866   3.9581  89.386  3.6815 83.461  5.9488 5.924606       6.995851 
1 1 1 13 16 35 o 42.270  6.1526 19.296   3.2482  43.765  5.8042 40.774  10.850 2.990765       12.30529 
1 1 1 13 16 37 o 73.632  4.0207 55.077   4.0612  69.504  4.9838 77.761  6.3107 -8.256645      8.041346 
1 1 1 13 16 39 o 29.692  7.3834 9.9593   3.7224  28.275  9.4137 31.109  11.377 -2.833809      14.76688 
1 1 1 13 16 41 o 21.292  6.8307 0.1575   4.1246  18.188  8.2882 24.396  10.860 -6.207575      13.66131 
1 1 1 13 16 43 o 26.301  7.2060 8.8149   3.8432  20.291  8.7911 32.311  11.420 -12.01913      14.41194 
1 1 1 13 16 45 o 20.848  6.6894 3.2283   4.2714  21.088  9.5537 20.607  9.3659 0.4806156      13.37884 
1 1 1 13 17 0  o 99.730  2.3764 99.646   4.7340  99.730  2.3764 ?       ?      0.000000       0.000000 
1 1 1 13 17 2  o 212.952 1.6198 453.519  4.8768  211.083 2.2701 214.822 2.3112 -3.738922      3.239603 
1 1 1 13 17 4  o 113.301 1.6213 128.350  2.5967  111.238 2.2836 115.364 2.3020 -4.125725      3.242543 
1 1 1 13 17 6  o 417.329 2.8316 1742.16  16.695  411.119 3.9320 423.540 4.0756 -12.42151      5.663140 
1 1 1 13 17 8  f 252.340 2.2179 635.873  7.8672  256.377 3.3102 248.303 2.9528 8.073380       4.435862 
1 1 1 13 17 10 o 329.374 2.2877 1085.06  10.629  331.885 3.3573 326.862 3.1086 5.023010       4.575464 
1 1 1 13 17 12 o 479.886 3.0413 2305.75  20.625  483.577 4.3815 476.195 4.2190 7.382324       6.082559 
1 1 1 13 17 14 o 302.199 2.2430 914.173  9.5780  302.082 3.0961 302.316 3.2464 -0.2332458     4.486080 
1 1 1 13 17 16 o 368.318 2.5102 1357.84  13.062  373.595 3.6160 363.040 3.4826 10.55511       5.020411 
1 1 1 13 17 18 o 199.589 1.7485 398.243  4.9278  196.096 2.4141 203.082 2.5301 -6.986282      3.497071 
1 1 1 13 17 20 o 89.535  1.7347 80.300   2.1923  90.633  2.3569 88.436  2.5460 2.196518       3.469406 
1 1 1 13 17 22 o 122.343 1.8184 148.084  2.8147  124.969 3.1414 119.716 1.8325 5.253365       3.636837 
1 1 1 13 17 24 f 223.699 2.6412 502.194  8.1469  223.962 3.2222 223.436 4.1858 0.5265961      5.282408 
1 1 1 13 17 26 o 122.860 2.9753 151.622  5.1630  118.085 4.2535 127.635 4.1614 -9.550697      5.950552 
1 1 1 13 17 28 o 65.560  3.4385 43.350   3.1585  66.123  4.4528 64.996  5.2406 1.126335       6.876900 
1 1 1 13 17 30 o 54.325  5.2040 32.028   3.3969  59.824  4.6322 48.825  9.3203 10.99817       10.40797 
1 1 1 13 17 32 o 27.253  6.5711 7.2329   3.0424  24.447  8.9077 30.059  9.6629 -5.611776      13.14226 
1 1 1 13 17 34 o 24.343  6.2687 4.3562   3.0241  27.405  8.3256 21.281  9.3740 6.124180       12.53745 
1 1 1 13 17 36 o 82.748  3.4980 69.506   3.7862  81.309  3.7632 84.187  5.8976 -2.877457      6.995911 
1 1 1 13 17 38 f 21.266  6.5835 0.3464   3.6844  20.461  8.7016 22.071  9.8818 -1.610420      13.16694 
1 1 1 13 17 40 o 21.388  6.6283 1.2755   3.4496  16.711  7.5672 26.064  10.885 -9.353724      13.25665 
1 1 1 13 17 42 o 20.391  6.1867 3.0114   3.2018  20.521  8.7137 20.261  8.7848 0.2596626      12.37342 
1 1 1 13 17 44 o 21.806  7.0805 4.8965   4.9220  23.283  10.594 20.328  9.3963 2.955624       14.16094 
1 1 1 13 18 1  o 166.259 1.6837 276.639  3.9494  165.423 2.4779 167.095 2.2803 -1.671600      3.367473 
1 1 1 13 18 3  o 368.259 2.4222 1355.88  12.591  373.536 3.5239 362.981 3.3242 10.55490       4.844349 
1 1 1 13 18 5  o 414.039 2.8478 1717.56  16.641  418.160 3.8658 409.917 4.1829 8.242767       5.695683 
1 1 1 13 18 7  o 249.285 2.1279 621.533  7.4174  250.080 3.2551 248.491 2.7415 1.588989       4.255744 
1 1 1 13 18 9  o 423.564 2.8190 1796.12  16.883  427.910 4.0070 419.218 3.9662 8.691956       5.637982 
1 1 1 13 18 11 o 238.901 2.0449 573.002  6.8391  243.796 2.6285 234.007 3.1332 9.788513       4.089797 
1 1 1 13 18 13 o 70.004  1.7791 48.927   1.7566  66.213  2.5286 73.795  2.5035 -7.581825      3.558229 
1 1 1 13 18 15 o 137.114 1.6524 187.995  3.2018  133.475 2.3357 140.754 2.3379 -7.279129      3.304748 
1 1 1 13 18 17 o 56.408  2.0382 31.901   1.6144  51.498  3.0269 61.318  2.7304 -9.820389      4.076417 
1 1 1 13 18 19 o 141.035 1.6953 198.715  3.3574  139.182 2.2399 142.888 2.5454 -3.706100      3.390636 
1 1 1 13 18 21 o 319.776 2.2341 1024.43  10.102  319.304 3.1280 320.248 3.1908 -0.9433594     4.468286 
1 1 1 13 18 23 o 243.925 2.1847 597.788  7.0429  242.472 3.6667 245.378 2.3763 -2.906143      4.369412 
1 1 1 13 18 25 o 166.393 2.3946 273.550  5.1959  161.062 2.5808 171.723 4.0343 -10.66133      4.789204 
1 1 1 13 18 27 o 118.695 2.4824 141.241  4.0388  118.179 2.9799 119.212 3.9711 -1.032822      4.964864 
1 1 1 13 18 29 o 33.331  6.8550 11.655   3.2794  33.697  7.8486 32.965  11.241 0.7319069      13.71004 
1 1 1 13 18 31 o 58.328  4.3682 33.952   3.3699  55.000  4.9335 61.656  7.2100 -6.655422      8.736349 
1 1 1 13 18 33 o 36.496  6.7835 13.739   3.5424  27.379  9.1485 45.612  10.018 -18.23354      13.56696 
1 1 1 13 18 35 o 48.488  4.8320 24.380   3.2772  44.177  6.6649 52.799  6.9980 -8.621922      9.664058 
1 1 1 13 18 37 o 34.642  7.7044 13.981   4.0365  32.160  9.6492 37.125  12.014 -4.965256      15.40885 
1 1 1 13 18 39 o 32.327  7.4242 12.518   3.7348  26.627  9.3067 38.028  11.570 -11.40147      14.84838 
1 1 1 13 18 41 o 18.918  6.1018 -0.9273  3.6507  19.234  8.5368 18.602  8.7208 0.6319218      12.20366 
1 1 1 13 18 43 o 25.184  6.7845 8.3789   4.0550  31.201  10.083 19.166  9.0807 12.03514       13.56896 
1 1 1 13 19 0  o 348.964 3.2598 1218.61  22.747  348.964 3.2598 ?       ?      0.000000       0.000000 
1 1 1 13 19 2  o 356.105 2.6087 1269.80  13.134  359.237 3.6320 352.973 3.7455 6.263275       5.217318 
1 1 1 13 19 4  f 230.931 1.8685 533.893  6.0742  232.075 2.4877 229.786 2.7888 2.289276       3.737092 
1 1 1 13 19 6  o 182.807 1.8327 332.044  4.5761  186.942 2.9338 178.672 2.1972 8.270096       3.665386 
1 1 1 13 19 8  o 203.072 1.7497 412.762  5.0220  205.035 2.4215 201.109 2.5262 3.926102       3.499368 
1 1 1 13 19 10 o 158.661 1.7157 252.242  3.8286  160.450 2.2668 156.872 2.5762 3.577820       3.431491 
1 1 1 13 19 12 o 264.280 2.0640 699.575  7.7072  257.181 2.9856 271.378 2.8507 -14.19717      4.127976 
1 1 1 13 19 14 o 206.296 1.6427 425.911  4.7911  206.703 2.2903 205.888 2.3554 0.8151703      3.285309 
1 1 1 13 19 16 o 261.355 2.0303 682.993  7.4892  256.664 2.7892 266.045 2.9512 -9.380371      4.060691 
1 1 1 13 19 18 o 183.753 1.7103 337.367  4.4334  179.724 2.3450 187.781 2.4903 -8.056183      3.420592 
1 1 1 13 19 20 o 192.850 1.8520 372.013  5.0435  189.776 2.5554 195.923 2.6815 -6.146851      3.704097 
1 1 1 13 19 22 o 111.932 1.5690 125.369  2.4771  111.139 2.1298 112.725 2.3047 -1.585777      3.138084 
1 1 1 13 19 24 o 103.856 1.7516 108.904  2.5192  100.060 2.7695 107.652 2.1451 -7.592430      3.503114 
1 1 1 13 19 26 o 40.480  5.2515 18.225   2.6083  46.551  4.5888 34.409  9.4476 12.14205       10.50306 
1 1 1 13 19 28 o 82.259  3.3485 69.690   3.5355  85.736  3.3669 78.783  5.7891 6.952904       6.697010 
1 1 1 13 19 30 o 21.128  6.4133 0.5059   3.2144  18.769  7.9613 23.487  10.057 -4.718639      12.82667 
1 1 1 13 19 32 o 74.362  3.7317 55.128   3.6914  70.604  4.2520 78.121  6.1338 -7.517723      7.463428 
1 1 1 13 19 34 o 101.884 3.0579 105.773  4.1790  101.968 3.4537 101.799 5.0474 0.1692429      6.115879 
1 1 1 13 19 36 o 64.416  4.3335 41.606   3.7693  54.889  5.5745 73.943  6.6365 -19.05395      8.667088 
1 1 1 13 19 38 o 20.221  6.2575 -0.3975  3.5132  16.818  7.8837 23.624  9.7197 -6.806177      12.51502 
1 1 1 13 19 40 o 17.450  5.7641 -2.7808  3.3677  15.494  7.2733 19.407  8.9441 -3.912663      11.52817 
1 1 1 13 19 42 o 20.693  6.6287 2.5944   4.0803  19.503  8.7353 21.883  9.9726 -2.379816      13.25740 
1 1 1 13 20 1  o 63.645  3.1471 42.218   2.4286  67.848  2.8080 59.442  5.6332 8.405865       6.294234 
1 1 1 13 20 3  o 95.532  1.7563 91.366   2.3656  100.999 2.4008 90.064  2.5641 10.93529       3.512562 
1 1 1 13 20 5  o 74.702  2.3445 58.855   2.2573  65.299  4.0670 84.104  2.3339 -18.80491      4.689044 
1 1 1 13 20 7  f 214.484 1.7034 460.286  5.1656  212.697 2.3886 216.271 2.4292 -3.574478      3.406799 
1 1 1 13 20 9  o 268.993 2.3216 725.631  8.6015  270.532 2.8169 267.454 3.6912 3.077667       4.643262 
1 1 1 13 20 11 o 456.663 2.9052 2089.71  18.760  461.032 4.1199 452.295 4.0973 8.736298       5.810469 
1 1 1 13 20 13 o 190.495 1.7805 363.483  4.7918  195.466 2.4515 185.525 2.5828 9.940491       3.560989 
1 1 1 13 20 15 o 286.556 2.0871 822.207  8.4569  286.277 2.9241 286.834 2.9789 -0.5563660     4.174238 
1 1 1 13 20 17 o 190.615 1.7883 363.712  4.8191  189.756 2.4948 191.475 2.5629 -1.718414      3.576642 
1 1 1 13 20 19 o 154.993 1.5290 240.624  3.3475  157.082 2.0949 152.904 2.2277 4.177170       3.057975 
1 1 1 13 20 21 o 131.938 1.7327 174.133  3.2289  136.700 2.4495 127.176 2.4514 9.523956       3.465438 
1 1 1 13 20 23 o 162.083 1.7027 262.951  3.8796  162.956 2.5508 161.210 2.2561 1.745972       3.405423 
1 1 1 13 20 25 o 78.379  1.9046 61.245   1.9027  79.174  3.2813 77.583  1.9348 1.590851       3.809244 
1 1 1 13 20 27 o 93.532  4.6889 90.414   5.5220  90.901  8.1929 96.164  4.5627 -5.262505      9.377763 
1 1 1 13 20 29 o 135.524 2.5073 184.260  4.6354  133.570 2.9823 137.478 4.0314 -3.907318      5.014648 
1 1 1 13 20 31 o 89.969  2.7741 81.028   3.4450  86.740  3.4610 93.197  4.3362 -6.457237      5.548103 
1 1 1 13 20 33 o 108.292 2.9560 116.214  4.2359  101.557 3.3540 115.028 4.8684 -13.47080      5.911920 
1 1 1 13 20 35 o 39.644  6.5601 18.858   3.7838  48.506  6.6652 30.781  11.301 17.72450       13.12029 
1 1 1 13 20 37 o 57.765  4.5828 36.762   3.6289  64.031  5.4098 51.499  7.3988 12.53209       9.165617 
1 1 1 13 20 39 o 30.843  7.2114 12.847   3.5239  28.853  9.1266 32.833  11.168 -3.979809      14.42284 
1 1 1 13 20 41 o 21.223  6.8344 0.7859   4.3385  16.159  7.7763 26.288  11.241 -10.12902      13.66889 
1 1 1 13 21 0  o 127.827 2.3051 163.613  5.8887  127.827 2.3051 ?       ?      0.000000       0.000000 
1 1 1 13 21 2  o 115.372 1.9169 133.602  3.0280  116.488 2.2798 114.256 3.0823 2.232086       3.833779 
1 1 1 13 21 4  o 51.013  3.1444 25.971   2.1983  51.786  5.0168 50.240  3.7921 1.545536       6.288724 
1 1 1 13 21 6  o 165.459 1.5795 273.896  3.6940  161.273 2.2553 169.644 2.2120 -8.370911      3.159003 
1 1 1 13 21 8  o 263.607 2.4008 694.134  8.7254  260.959 2.9424 266.255 3.7945 -5.295593      4.801678 
1 1 1 13 21 10 o 161.148 1.6467 259.911  3.7526  162.044 2.3158 160.253 2.3417 1.791290       3.293375 
1 1 1 13 21 12 o 286.852 2.0278 823.493  8.2219  283.580 2.8298 290.124 2.9053 -6.543884      4.055681 
1 1 1 13 21 14 o 179.595 1.7187 322.472  4.3357  177.985 2.2706 181.206 2.5807 -3.220428      3.437338 
1 1 1 13 21 16 o 18.259  5.0048 2.1325   1.8402  17.792  6.8616 18.726  7.2876 -0.9342842     10.00956 
1 1 1 13 21 18 o 102.108 1.7636 104.621  2.5389  104.826 2.3682 99.390  2.6139 5.435066       3.527154 
1 1 1 13 21 20 o 138.917 1.6316 193.142  3.1976  140.071 2.3906 137.763 2.2211 2.308151       3.263118 
1 1 1 13 21 22 o 109.253 1.7265 119.639  2.6356  109.665 2.2111 108.841 2.6521 0.8240662      3.452904 
1 1 1 13 21 24 o 19.711  4.9844 3.2519   1.5900  16.997  5.8661 22.425  8.0602 -5.428024      9.968850 
1 1 1 13 21 26 o 79.144  2.1034 63.171   2.2386  78.208  3.4695 80.080  2.3791 -1.871483      4.206810 
1 1 1 13 21 28 o 21.898  6.3938 1.3943   3.2020  22.322  8.3904 21.474  9.6502 0.8477192      12.78769 
1 1 1 13 21 30 o 116.597 3.3887 131.927  4.5754  109.700 2.9998 123.494 6.0774 -13.79343      6.777416 
1 1 1 13 21 32 f 26.200  6.8967 5.9832   3.4639  22.277  9.0617 30.124  10.399 -7.847765      13.79346 
1 1 1 13 21 34 o 23.069  6.8530 2.0190   3.8195  23.750  9.2635 22.389  10.102 1.360764       13.70603 
1 1 1 13 21 36 o 27.509  6.1439 8.0104   3.1825  34.470  8.2949 20.548  9.0656 13.92264       12.28781 
1 1 1 13 21 38 o 23.879  6.7559 4.5856   3.9588  28.162  9.8966 19.596  9.1993 8.565556       13.51184 
1 1 1 13 21 40 o 21.000  6.2826 0.7175   3.8557  25.019  9.3854 16.981  8.3546 8.038027       12.56520 
1 1 1 13 22 1  o 86.230  1.9169 74.351   2.3349  88.168  2.7501 84.292  2.6711 3.876282       3.833828 
1 1 1 13 22 3  o 328.797 2.5044 1081.35  11.573  332.844 3.7466 324.751 3.3244 8.093140       5.008806 
1 1 1 13 22 5  o 240.751 1.9251 580.279  6.5494  240.865 2.6605 240.637 2.7830 0.2277985      3.850129 
1 1 1 13 22 7  o 41.021  4.1159 16.588   2.3371  37.605  5.3733 44.436  6.2363 -6.831017      8.231852 
1 1 1 13 22 9  o 237.209 1.8850 563.407  6.3216  239.766 2.6246 234.652 2.7064 5.113358       3.769986 
1 1 1 13 22 11 o 171.036 1.6842 292.896  4.0650  170.388 2.4734 171.683 2.2867 -1.294373      3.368488 
1 1 1 13 22 13 o 197.407 1.7800 390.058  4.9542  196.891 2.4044 197.922 2.6252 -1.031281      3.559909 
1 1 1 13 22 15 o 84.107  2.1525 71.248   2.5284  86.693  2.7304 81.521  3.3285 5.171791       4.305083 
1 1 1 13 22 17 o 133.354 1.6682 177.968  3.1440  135.989 2.3774 130.718 2.3408 5.270950       3.336354 
1 1 1 13 22 19 o 34.090  4.4016 11.912   2.0719  31.298  6.4895 36.881  5.9484 -5.582850      8.803203 
1 1 1 13 22 21 o 16.154  4.7767 0.5773   1.7631  14.871  6.1644 17.436  7.2985 -2.565194      9.553423 
1 1 1 13 22 23 o 51.162  3.4554 29.105   2.1194  60.770  2.9450 41.554  6.2519 19.21557       6.910863 
1 1 1 13 22 25 o 22.931  4.7944 5.3719   1.6532  25.007  5.2465 20.855  8.0261 4.151789       9.588754 
1 1 1 13 22 27 o 62.717  2.4728 39.280   1.8980  63.537  4.3615 61.897  2.3318 1.639824       4.945661 
1 1 1 13 22 29 o 52.614  4.9296 28.377   3.5052  51.114  5.7603 54.115  8.0014 -3.000359      9.859177 
1 1 1 13 22 31 o 48.569  5.2540 25.248   3.4868  43.073  8.0723 54.065  6.7273 -10.99263      10.50799 
1 1 1 13 22 33 o 73.188  4.5248 58.876   4.1075  80.229  4.1736 66.147  8.0296 14.08219       9.049553 
1 1 1 13 22 35 o 44.055  7.1081 23.451   4.0838  45.176  7.1565 42.935  12.284 2.240784       14.21621 
1 1 1 13 22 37 o 20.570  6.3420 0.2343   3.8011  22.968  9.1742 18.172  8.7590 4.796419       12.68408 
1 1 1 13 22 39 o 18.413  6.0551 -3.9664  4.1137  20.519  9.0576 16.307  8.0383 4.211765       12.11013 
1 1 1 13 23 0  o 339.612 3.3156 1154.65  22.516  339.612 3.3156 ?       ?      0.000000       0.000000 
1 1 1 13 23 2  o 281.887 2.1876 795.429  8.7038  283.448 3.1978 280.326 2.9862 3.121521       4.375296 
1 1 1 13 23 4  o 83.868  2.6830 71.434   3.0791  79.718  4.3452 88.018  3.1484 -8.300591      5.365952 
1 1 1 13 23 6  o 78.686  2.5940 61.164   2.8127  74.459  3.2565 82.913  4.0385 -8.454720      5.187924 
1 1 1 13 23 8  o 76.388  2.2991 58.483   2.4825  77.787  3.1914 74.990  3.3104 2.796371       4.598258 
1 1 1 13 23 10 o 42.391  3.5816 18.294   2.1068  46.752  4.4455 38.031  5.6168 8.721447       7.163143 
1 1 1 13 23 12 o 42.024  3.9650 18.043   2.3078  46.221  4.8713 37.827  6.2575 8.394268       7.930098 
1 1 1 13 23 14 o 137.000 1.6840 188.003  3.2616  138.098 2.3411 135.903 2.4214 2.194809       3.368073 
1 1 1 13 23 16 o 156.182 1.7121 244.335  3.7812  158.084 2.4103 154.281 2.4323 3.803299       3.424298 
1 1 1 13 23 18 o 244.198 2.1589 597.876  7.4314  244.227 2.9076 244.169 3.1920 0.5886841E-01  4.317729 
1 1 1 13 23 20 o 86.706  2.1715 75.174   2.6243  85.240  2.7769 88.173  3.3393 -2.933037      4.343058 
1 1 1 13 23 22 o 48.082  3.2587 22.863   2.1593  44.259  4.1742 51.905  5.0052 -7.645981      6.517361 
1 1 1 13 23 24 o 189.565 1.9100 358.471  4.8495  186.387 2.1682 192.743 3.1451 -6.355133      3.820024 
1 1 1 13 23 26 o 77.799  1.9720 61.853   2.0594  81.638  2.1922 73.959  3.2785 7.679565       3.943926 
1 1 1 13 23 28 o 100.883 3.0028 102.382  4.1002  98.709  3.5093 103.058 4.8737 -4.349609      6.005616 
1 1 1 13 23 30 o 80.987  3.5107 66.545   3.9208  77.909  4.3720 84.065  5.4941 -6.155609      7.021377 
1 1 1 13 23 32 o 73.194  4.0307 55.906   3.3835  73.911  3.3587 72.477  7.3283 1.433945       8.061337 
1 1 1 13 23 34 o 28.925  6.6103 9.4809   3.4823  34.346  8.4511 23.505  10.167 10.84092       13.22051 
1 1 1 13 23 36 o 23.224  6.7785 4.2450   3.9019  25.837  9.5817 20.612  9.5907 5.224958       13.55693 
1 1 1 13 23 38 o 23.182  7.0517 5.7535   4.0595  22.296  9.2668 24.068  10.632 -1.772099      14.10330 
1 1 1 13 24 1  o 312.928 2.5383 979.137  11.081  316.883 3.8988 308.973 3.2512 7.909546       5.076547 
1 1 1 13 24 3  o 258.865 2.2416 670.878  8.0833  259.741 3.4674 257.988 2.8420 1.753113       4.483265 
1 1 1 13 24 5  o 70.004  2.4316 48.908   2.3538  68.829  3.0196 71.180  3.8121 -2.350639      4.863104 
1 1 1 13 24 7  o 149.809 1.8158 224.403  3.8129  148.419 2.3728 151.199 2.7492 -2.779709      3.631545 
1 1 1 13 24 9  o 104.975 1.8486 110.294  2.7396  109.810 2.5762 100.141 2.6519 9.668297       3.697220 
1 1 1 13 24 11 o 65.127  2.3987 42.540   2.1878  71.987  3.2079 58.267  3.5670 13.71999       4.797316 
1 1 1 13 24 13 o 106.855 2.0368 114.900  3.0500  109.841 2.6280 103.869 3.1126 5.971771       4.073626 
1 1 1 13 24 15 o 17.374  5.0459 0.1914   2.1068  14.349  6.5364 20.400  7.6889 -6.050495      10.09177 
1 1 1 13 24 17 f 86.388  2.2537 74.658   2.7055  85.317  2.8421 87.459  3.4986 -2.142174      4.507479 
1 1 1 13 24 19 o 98.954  1.9180 98.123   2.6818  101.103 2.7409 96.805  2.6837 4.298111       3.836000 
1 1 1 13 24 21 o 109.118 1.9449 119.364  2.9976  106.066 2.7215 112.171 2.7793 -6.104912      3.889884 
1 1 1 13 24 23 o 25.784  5.1527 6.4221   1.9320  19.023  6.6432 32.545  7.8784 -13.52225      10.30541 
1 1 1 13 24 25 o 27.346  5.1473 7.9927   1.9501  31.504  4.3981 23.188  9.3077 8.315279       10.29455 
1 1 1 13 24 27 o 19.594  4.8592 2.8751   1.5761  13.590  5.5755 25.598  7.9600 -12.00818      9.718419 
1 1 1 13 24 29 o 31.565  7.2186 11.010   3.7440  33.925  9.1493 29.205  11.168 4.720034       14.43729 
1 1 1 13 24 31 o 30.855  7.1258 10.971   3.6567  33.465  8.8383 28.246  11.180 5.219728       14.25169 
1 1 1 13 24 33 o 25.498  7.2142 4.9383   4.2633  28.181  9.8972 22.815  10.499 5.365364       14.42842 
1 1 1 13 24 35 o 35.314  5.6236 16.016   3.4399  49.602  6.4015 21.027  9.2477 28.57567       11.24714 
1 1 1 13 24 37 o 41.068  7.1863 25.290   4.3068  48.743  7.2249 33.393  12.425 15.35053       14.37261 
1 1 1 13 25 0  o 22.194  11.044 7.3897   5.8887  22.194  11.044 ?       ?      0.000000       0.000000 
1 1 1 13 25 2  o 97.302  2.0338 94.383   2.7854  91.086  2.8522 103.517 2.9001 -12.43109      4.067616 
1 1 1 13 25 4  o 97.592  2.0744 94.450   2.7921  93.720  2.5872 101.465 3.2432 -7.744293      4.148780 
1 1 1 13 25 6  o 45.520  3.7326 21.455   2.3078  52.186  4.3145 38.854  6.0921 13.33219       7.465178 
1 1 1 13 25 8  o 248.246 2.3816 618.496  8.3135  249.314 3.1493 247.177 3.5736 2.137543       4.763228 
1 1 1 13 25 10 o 208.904 1.7707 437.204  5.2119  208.910 2.3766 208.899 2.6255 0.1016235E-01  3.541376 
1 1 1 13 25 12 f 126.188 1.8619 158.917  3.2892  123.260 2.4356 129.115 2.8170 -5.855255      3.723875 
1 1 1 13 25 14 o 105.858 1.9081 112.070  2.8505  102.734 2.6412 108.982 2.7547 -6.248207      3.816292 
1 1 1 13 25 16 o 103.514 1.9558 107.606  2.8551  101.776 2.8930 105.252 2.6329 -3.476372      3.911686 
1 1 1 13 25 18 o 47.894  3.9233 24.038   2.5192  53.496  4.3168 42.292  6.5524 11.20379       7.846559 
1 1 1 13 25 20 o 152.893 1.8559 234.651  4.0105  152.434 2.5754 153.352 2.6729 -0.9180756     3.711786 
1 1 1 13 25 22 o 119.827 1.9852 144.273  3.2290  119.783 2.3135 119.872 3.2268 -0.8925629E-01 3.970463 
1 1 1 13 25 24 o 44.616  4.2076 19.891   2.2043  43.304  3.7329 45.928  7.5420 -2.624390      8.415288 
1 1 1 13 25 26 o 17.537  5.0644 1.5274   1.8210  16.151  6.1616 18.924  8.0391 -2.772089      10.12877 
1 1 1 13 25 28 f 22.165  5.1257 4.3118   1.7440  15.319  5.9873 29.011  8.3212 -13.69224      10.25135 
1 1 1 13 25 30 o 31.882  6.5912 12.036   3.1456  32.929  8.3898 30.835  10.168 2.094381       13.18246 
1 1 1 13 25 32 o 40.412  6.6967 20.401   3.7224  44.650  6.9822 36.175  11.429 8.474548       13.39335 
1 1 1 13 25 34 o 27.815  6.7305 8.1980   4.1054  36.285  9.9073 19.346  9.1130 16.93897       13.46107 
1 1 1 13 25 36 o 26.910  7.3379 9.8745   4.4774  30.552  9.7399 23.267  10.978 7.285297       14.67573 
1 1 1 13 26 1  o 146.969 1.8518 216.783  3.8338  149.573 2.4703 144.366 2.7593 5.207108       3.703536 
1 1 1 13 26 3  o 136.872 2.0167 188.881  3.8465  141.325 2.5327 132.420 3.1391 8.905212       4.033420 
1 1 1 13 26 5  o 185.692 1.8685 345.344  4.9045  188.450 2.6653 182.934 2.6194 5.516510       3.736973 
1 1 1 13 26 7  o 118.043 1.8001 139.632  2.9976  118.443 2.4371 117.644 2.6500 0.7989960      3.600291 
1 1 1 13 26 9  o 15.757  5.1527 -4.4959  2.6737  15.905  7.5743 15.608  6.9879 0.2970304      10.30535 
1 1 1 13 26 11 o 50.843  3.2525 26.024   2.3378  49.769  4.6400 51.918  4.5592 -2.148933      6.505087 
1 1 1 13 26 13 o 45.958  3.7754 21.353   2.4533  46.706  5.3151 45.211  5.3632 1.495461       7.550808 
1 1 1 13 26 15 o 59.884  2.7416 36.086   2.3035  54.168  4.0501 65.600  3.6963 -11.43220      5.483185 
1 1 1 13 26 17 o 68.379  2.6411 47.162   2.5192  68.847  3.3542 67.910  4.0806 0.9368591      5.282256 
1 1 1 13 26 19 o 32.050  4.7132 10.822   2.1068  28.224  7.3080 35.875  5.9542 -7.651232      9.426486 
1 1 1 13 26 21 o 93.477  2.1206 88.513   2.7519  96.917  2.6210 90.037  3.3343 6.879692       4.241114 
1 1 1 13 26 23 o 125.382 2.1084 158.454  3.3568  125.828 2.1106 124.937 3.6505 0.8905716      4.216729 
1 1 1 13 26 25 o 76.249  2.4459 57.555   2.4132  72.937  2.6121 79.562  4.1361 -6.625343      4.891843 
1 1 1 13 26 27 o 27.020  5.5215 7.4386   2.0384  21.765  6.5943 32.275  8.8580 -10.51077      11.04304 
1 1 1 13 26 29 o 48.852  3.7925 25.433   2.5610  44.990  6.0312 52.714  4.5999 -7.723770      7.585092 
1 1 1 13 26 31 o 21.569  6.7353 2.1488   3.6193  18.367  8.0539 24.771  10.798 -6.404253      13.47058 
1 1 1 13 26 33 o 42.191  7.2890 23.901   3.9258  43.196  6.8163 41.186  12.886 2.009594       14.57793 
1 1 1 13 26 35 o 44.748  6.4464 28.178   4.0122  34.996  10.621 54.501  7.3091 -19.50481      12.89279 
1 1 1 13 27 0  o 273.465 3.0831 749.134  16.858  273.465 3.0831 ?       ?      0.000000       0.000000 
1 1 1 13 27 2  o 155.389 2.5388 242.425  4.9495  155.614 2.4857 155.164 4.4277 0.4496002      5.077671 
1 1 1 13 27 4  o 96.840  2.2382 94.108   3.0587  101.455 3.0728 92.226  3.2551 9.229446       4.476417 
1 1 1 13 27 6  o 84.154  2.2806 71.017   2.7085  83.446  3.1133 84.862  3.3335 -1.416016      4.561251 
1 1 1 13 27 8  f 68.533  2.6504 47.174   2.5662  67.450  3.6805 69.616  3.8148 -2.166130      5.300783 
1 1 1 13 27 10 o 81.797  2.5124 67.223   2.8450  81.672  3.1103 81.923  3.9464 -0.2517471     5.024720 
1 1 1 13 27 12 o 15.093  5.0705 -6.6445  2.7921  12.686  6.1447 17.500  8.0674 -4.813473      10.14103 
1 1 1 13 27 14 o 59.075  3.0983 35.244   2.5610  52.561  4.6132 65.589  4.1370 -13.02800      6.196527 
1 1 1 13 27 16 o 147.980 1.8899 219.975  3.9545  147.273 2.7049 148.687 2.6403 -1.414124      3.779890 
1 1 1 13 27 18 o 65.152  3.0178 42.503   2.7411  56.813  4.3695 73.491  4.1635 -16.67731      6.035552 
1 1 1 13 27 20 o 103.930 2.2885 108.900  3.3236  104.413 2.9305 103.447 3.5160 0.9664688      4.577085 
1 1 1 13 27 22 o 31.970  5.6968 11.508   2.7071  38.637  5.5287 25.304  9.9624 13.33292       11.39368 
1 1 1 13 27 24 o 40.108  5.1082 18.636   2.4427  46.616  4.2108 33.600  9.3083 13.01624       10.21643 
1 1 1 13 27 26 o 67.599  2.6021 46.019   2.4167  64.699  3.2124 70.499  4.0945 -5.800377      5.204290 
1 1 1 13 27 28 o 31.421  5.0709 11.194   1.9884  33.492  4.4817 29.350  9.0977 4.142319       10.14174 
1 1 1 13 27 30 o 19.955  6.2127 -0.3164  3.7019  22.398  9.1328 17.512  8.4251 4.886318       12.42537 
1 1 1 13 27 32 o 37.575  7.5171 20.378   4.0612  33.602  9.7430 41.549  11.450 -7.946793      15.03421 
1 1 1 13 27 34 o 21.804  6.4565 4.1502   3.9160  25.578  9.4949 18.030  8.7515 7.547455       12.91290 
1 1 1 13 28 1  o 185.264 2.1394 343.694  5.4777  183.576 2.6417 186.951 3.3660 -3.374786      4.278863 
1 1 1 13 28 3  o 94.531  2.5285 89.493   3.3475  92.349  3.3133 96.712  3.8205 -4.363396      5.057086 
1 1 1 13 28 5  o 87.108  2.2044 76.239   2.7122  86.238  3.2134 87.977  3.0186 -1.738884      4.408815 
1 1 1 13 28 7  o 51.578  3.4826 26.903   2.5402  51.801  4.9038 51.354  4.9465 0.4477272      6.965266 
1 1 1 13 28 9  o 69.657  2.9006 48.858   2.8505  68.278  3.9741 71.035  4.2262 -2.757553      5.801203 
1 1 1 13 28 11 o 64.752  3.0578 42.351   2.7973  65.355  4.4168 64.149  4.2298 1.205925       6.115532 
1 1 1 13 28 13 o 62.967  3.5656 40.276   3.1742  63.866  5.0622 62.069  5.0227 1.796764       7.131167 
1 1 1 13 28 15 o 22.320  5.8140 4.0956   2.4506  20.006  7.9429 24.635  8.4922 -4.629541      11.62791 
1 1 1 13 28 17 o 34.131  5.6928 12.674   2.7024  32.110  8.7522 36.151  7.2824 -4.040421      11.38566 
1 1 1 13 28 19 o 81.017  2.8164 65.790   3.1959  75.000  3.8488 87.033  4.1127 -12.03315      5.632710 
1 1 1 13 28 21 o 34.913  6.1854 13.794   2.9882  37.776  6.8213 32.051  10.320 5.725327       12.37087 
1 1 1 13 28 23 o 34.305  5.4556 13.209   2.5351  37.484  5.6986 31.126  9.3047 6.358068       10.91112 
1 1 1 13 28 25 o 31.972  6.1345 12.013   2.7845  34.715  6.5588 29.230  10.369 5.485071       12.26897 
1 1 1 13 28 27 o 26.751  5.7169 8.1827   2.2425  26.494  6.7376 27.007  9.2378 -0.5127087     11.43383 
1 1 1 13 28 29 o 16.187  5.0685 0.3391   2.0871  14.395  6.1980 17.978  8.0215 -3.582994      10.13707 
1 1 1 13 28 31 o 22.530  6.5879 5.4278   3.5109  23.944  9.2790 21.117  9.3543 2.827045       13.17587 
1 1 1 13 28 33 o 30.293  7.9948 17.161   4.5354  29.898  10.533 30.689  12.030 -0.7903461     15.98958 
1 1 1 13 29 0  o 16.854  10.305 2.8866   6.4660  16.854  10.305 ?       ?      0.000000       0.000000 
1 1 1 13 29 2  o 120.112 2.0902 144.863  3.5484  117.386 2.9509 122.838 2.9609 -5.451828      4.180305 
1 1 1 13 29 4  o 118.059 2.0601 139.805  3.4154  116.683 2.7213 119.435 3.0936 -2.752174      4.120175 
1 1 1 13 29 6  o 16.294  5.3824 -5.5848  3.0424  14.762  7.0264 17.826  8.1553 -3.064370      10.76474 
1 1 1 13 29 8  o 82.570  2.5965 68.771   3.0307  83.311  3.6035 81.829  3.7393 1.481583       5.192975 
1 1 1 13 29 10 o 182.616 2.1022 335.392  5.4213  182.365 2.8808 182.867 3.0624 -0.5013428     4.204434 
1 1 1 13 29 12 o 225.987 2.0867 513.554  6.6670  226.425 2.9067 225.549 2.9948 0.8754883      4.173427 
1 1 1 13 29 14 o 138.791 1.9414 193.543  3.8068  137.731 2.6827 139.851 2.8071 -2.119675      3.882875 
1 1 1 13 29 16 o 59.833  3.4692 36.308   2.8577  49.282  5.2716 70.384  4.5114 -21.10214      6.938462 
1 1 1 13 29 18 o 20.011  5.9860 1.0037   2.8809  17.918  7.7877 22.104  9.0928 -4.186054      11.97194 
1 1 1 13 29 20 o 78.156  2.8279 62.432   3.1133  79.618  3.7706 76.693  4.2155 2.924927       5.655773 
1 1 1 13 29 22 o 43.437  5.5128 22.670   2.6172  50.524  3.8851 36.351  10.319 14.17281       11.02568 
1 1 1 13 29 24 o 54.254  4.4526 31.560   2.8481  55.253  3.8660 53.254  8.0223 1.999359       8.905238 
1 1 1 13 29 26 o 44.104  5.4168 22.671   2.7949  46.252  4.6183 41.956  9.7998 4.296795       10.83354 
1 1 1 13 29 28 o 31.116  5.6552 11.638   2.3650  29.051  6.6915 33.180  9.1186 -4.128422      11.31037 
1 1 1 13 29 30 o 25.177  5.2634 7.9488   2.0910  28.954  5.5829 21.401  8.9243 7.552441       10.52676 
1 1 1 13 29 32 o 21.376  6.2407 3.4715   3.5065  26.073  9.5969 16.679  7.9802 9.394508       12.48134 
1 1 1 13 30 1  o 89.699  2.5932 81.001   3.2816  92.070  3.7623 87.327  3.5700 4.743561       5.186457 
1 1 1 13 30 3  o 46.113  4.6937 21.884   3.0587  46.326  6.4803 45.900  6.7920 0.4259567      9.387497 
1 1 1 13 30 5  o 51.925  4.7141 29.118   3.1238  58.232  4.7588 45.619  8.1392 12.61315       9.428264 
1 1 1 13 30 7  o 60.705  3.3593 37.147   2.8681  64.535  4.8308 56.875  4.6693 7.660061       6.718580 
1 1 1 13 30 9  o 115.427 2.0776 133.695  3.3356  116.531 3.2203 114.323 2.6260 2.208084       4.155203 
1 1 1 13 30 11 o 117.363 2.0000 138.427  3.3133  115.549 2.7480 119.176 2.9066 -3.627106      3.999937 
1 1 1 13 30 13 o 149.048 2.0399 223.326  4.2916  145.514 2.8169 152.582 2.9513 -7.068329      4.079822 
1 1 1 13 30 15 f 111.476 2.4765 126.027  3.8916  110.049 3.6722 112.902 3.3238 -2.852676      4.953040 
1 1 1 13 30 17 o 74.309  2.9787 56.460   3.1004  74.931  3.8524 73.686  4.5442 1.244553       5.957414 
1 1 1 13 30 19 o 58.374  4.1374 36.280   3.2892  62.970  4.7675 53.777  6.7633 9.192902       8.274718 
1 1 1 13 30 21 o 68.252  3.8176 50.097   3.2474  72.208  3.5979 64.296  6.7344 7.912346       7.635193 
1 1 1 13 30 23 o 73.181  3.1040 54.956   3.1103  69.979  3.7950 76.382  4.9129 -6.402893      6.207955 
1 1 1 13 30 25 o 24.994  6.3993 7.5585   2.7845  24.595  7.8881 25.392  10.079 -0.7973042     12.79868 
1 1 1 13 30 27 o 26.303  4.8925 8.4185   2.2963  34.217  5.0617 18.388  8.3741 15.82878       9.785030 
1 1 1 13 30 29 o 14.690  4.9389 -2.2708  2.3863  12.536  5.8439 16.844  7.9635 -4.308108      9.877738 
1 1 1 13 31 0  o 202.488 2.9095 411.516  11.777  202.488 2.9095 ?       ?      0.000000       0.000000 
1 1 1 13 31 2  o 159.176 2.2393 255.304  4.9902  158.811 3.4172 159.542 2.8949 -0.7310944     4.478563 
1 1 1 13 31 4  o 178.105 1.9304 318.730  4.8158  177.184 2.5089 179.025 2.9346 -1.841705      3.860879 
1 1 1 13 31 6  o 139.603 2.2990 196.725  4.5303  142.375 3.1223 136.831 3.3754 5.544296       4.598059 
1 1 1 13 31 8  o 54.960  3.4530 30.748   2.6768  53.654  4.7345 56.267  5.0276 -2.612980      6.905958 
1 1 1 13 31 10 o 25.528  6.2641 6.3214   2.8575  22.037  8.7042 29.019  9.0107 -6.982027      12.52820 
1 1 1 13 31 12 o 28.066  6.5004 8.0642   3.0755  23.277  8.8896 32.855  9.4865 -9.577509      13.00072 
1 1 1 13 31 14 o 23.361  6.2291 4.2352   2.9729  27.324  9.2378 19.399  8.3588 7.924692       12.45815 
1 1 1 13 31 16 o 53.538  4.0796 29.956   3.0884  54.216  5.7502 52.859  5.7886 1.356625       8.159220 
1 1 1 13 31 18 o 84.672  2.8678 74.692   3.2848  88.638  3.2566 80.706  4.7213 7.931656       5.735502 
1 1 1 13 31 20 o 65.840  3.5855 43.963   3.0784  61.139  3.9660 70.542  5.9744 -9.403664      7.170932 
1 1 1 13 31 22 o 29.230  6.7027 11.151   3.1895  30.900  8.5137 27.560  10.355 3.340174       13.40536 
1 1 1 13 31 24 o 35.941  5.8944 15.753   2.8074  33.911  7.0445 37.970  9.4525 -4.058388      11.78876 
1 1 1 13 31 26 o 28.658  6.4711 10.804   2.8250  24.388  8.1021 32.928  10.092 -8.540257      12.94215 
1 1 1 13 31 28 o 21.304  6.2805 5.1665   2.7069  16.602  7.0307 26.005  10.409 -9.402514      12.56094 
1 1 1 13 32 1  o 64.695  3.7169 43.796   3.2993  69.746  4.3871 59.644  6.0013 10.10221       7.433831 
1 1 1 13 32 3  o 110.822 2.5455 124.813  3.9073  109.485 4.0075 112.160 3.1399 -2.675140      5.091088 
1 1 1 13 32 5  o 95.382  2.4835 92.125   3.3445  95.582  3.6241 95.181  3.3967 0.4001541      4.967019 
1 1 1 13 32 7  o 35.577  5.8452 14.225   2.9015  39.497  7.1309 31.658  9.2636 7.839735       11.69033 
1 1 1 13 32 9  o 23.162  6.1557 2.6817   3.1976  17.334  8.0470 28.989  9.3176 -11.65495      12.31142 
1 1 1 13 32 11 o 21.037  6.2986 1.3713   3.2616  19.676  8.6190 22.399  9.1870 -2.722719      12.59713 
1 1 1 13 32 13 o 19.271  5.2450 -0.4216  2.5610  13.165  6.4121 25.377  8.3022 -12.21168      10.49003 
1 1 1 13 32 15 o 41.627  5.1088 18.555   2.8720  35.816  7.0204 47.438  7.4238 -11.62206      10.21755 
1 1 1 13 32 17 o 60.810  3.6916 38.801   3.1585  56.543  5.2073 65.077  5.2341 -8.533901      7.383191 
1 1 1 13 32 19 o 78.315  3.0670 63.580   3.1803  76.283  3.4057 80.347  5.1016 -4.063850      6.133946 
1 1 1 13 32 21 o 21.991  6.4972 4.3120   3.0260  19.165  7.7538 24.818  10.428 -5.653181      12.99440 
1 1 1 13 32 23 o 22.494  6.3989 5.6893   2.7554  20.330  7.5144 24.658  10.359 -4.328432      12.79788 
1 1 1 13 32 25 o 19.430  6.0805 2.6119   3.2051  18.707  7.9957 20.154  9.1629 -1.447174      12.16101 
1 1 1 13 33 0  o 74.019  4.4798 56.116   6.5815  74.019  4.4798 ?       ?      0.000000       0.000000 
1 1 1 13 33 2  o 59.258  3.8952 36.523   3.2596  61.727  5.4246 56.789  5.5914 4.938412       7.790410 
1 1 1 13 33 4  o 110.401 2.2574 123.596  3.5207  111.785 3.0988 109.017 3.2833 2.768066       4.514709 
1 1 1 13 33 6  f 151.022 2.1220 230.631  4.5230  153.156 3.0910 148.887 2.9082 4.268967       4.244028 
1 1 1 13 33 8  f 120.002 2.5673 145.481  4.1998  116.523 3.0719 123.482 4.1143 -6.959267      5.134578 
1 1 1 13 33 10 o 62.847  3.5453 41.249   3.1440  63.749  4.7998 61.945  5.2192 1.803658       7.090679 
1 1 1 13 33 12 o 59.684  3.3989 37.487   2.8100  62.456  4.1597 56.911  5.3765 5.545006       6.797740 
1 1 1 13 33 14 o 44.077  5.3810 22.091   3.2289  37.771  8.4647 50.383  6.6461 -12.61166      10.76208 
1 1 1 13 33 16 o 54.008  4.5842 32.708   3.4907  55.344  6.1546 52.672  6.7957 2.671993       9.168479 
1 1 1 13 33 18 o 35.079  6.9932 16.520   3.5181  35.849  8.2227 34.309  11.314 1.540478       13.98634 
1 1 1 13 33 20 o 27.214  6.7827 10.138   3.1492  25.791  8.6885 28.636  10.418 -2.845207      13.56548 
1 1 1 13 33 22 o 36.097  6.5558 18.456   3.4342  41.801  6.4912 30.392  11.392 11.40933       13.11154 
1 1 1 13 33 24 o 17.555  5.7556 0.1567   2.9691  14.416  6.6886 20.693  9.3686 -6.277235      11.51122 
1 1 1 13 34 1  o 50.575  4.6176 28.629   2.9845  56.761  4.6787 44.389  7.9624 12.37231       9.235267 
1 1 1 13 34 3  o 51.790  4.6345 29.005   3.3771  54.499  6.1440 49.080  6.9401 5.419640       9.269020 
1 1 1 13 34 5  o 90.685  2.6783 84.424   3.4329  92.724  3.7980 88.646  3.7773 4.077202       5.356615 
1 1 1 13 34 7  o 111.364 2.2924 126.568  3.6025  111.016 3.1202 111.711 3.3592 -0.6957245     4.584754 
1 1 1 13 34 9  o 78.368  3.2027 63.947   3.5447  80.369  4.5974 76.368  4.4603 4.000664       6.405468 
1 1 1 13 34 11 o 18.089  5.8186 -1.9880  3.3194  16.325  7.6908 19.853  8.7336 -3.527952      11.63717 
1 1 1 13 34 13 o 22.555  6.6136 4.5609   3.5217  24.729  9.7293 20.380  8.9610 4.349520       13.22720 
1 1 1 13 34 15 o 23.180  6.7397 5.4728   3.5447  22.785  9.3463 23.575  9.7130 -0.7898979     13.47945 
1 1 1 13 34 17 o 19.925  6.1407 2.1155   3.3173  22.173  9.2445 17.676  8.0853 4.497370       12.28143 
1 1 1 13 34 19 o 28.026  6.5248 10.733   2.9891  30.047  7.5071 26.006  10.674 4.041245       13.04954 
1 1 1 13 34 21 o 35.965  7.5150 22.050   4.2194  40.094  9.1292 31.836  11.940 8.257965       15.02990 
1 1 1 13 35 0  o 53.892  7.1620 32.330   7.5052  53.892  7.1620 ?       ?      0.000000       0.000000 
1 1 1 13 35 2  o 74.910  3.3853 59.509   3.5785  76.831  4.5837 72.989  4.9831 3.841911       6.770640 
1 1 1 13 35 4  o 35.572  6.4511 16.108   3.2616  35.437  9.2051 35.708  9.0408 -0.2705803     12.90229 
1 1 1 13 35 6  o 33.080  6.7395 14.657   3.4232  36.879  8.8633 29.281  10.155 7.597853       13.47905 
1 1 1 13 35 8  o 78.337  3.0737 64.075   3.3269  82.497  4.7587 74.177  3.8915 8.320724       6.147305 
1 1 1 13 35 10 o 67.656  3.4535 49.167   3.2745  66.927  5.2620 68.386  4.4743 -1.459724      6.907097 
1 1 1 13 35 12 o 21.909  6.3816 4.7629   3.2165  22.694  8.9658 21.124  9.0837 1.570158       12.76316 
1 1 1 13 35 14 o 23.464  6.5042 6.3545   3.3653  26.814  9.4699 20.114  8.9184 6.699255       13.00838 
1 1 1 13 35 16 o 17.621  5.6990 -1.7320  3.3650  19.121  8.3003 16.121  7.8116 2.999737       11.39805 
1 1 1 13 35 18 o 21.165  6.3231 5.2103   3.2474  21.514  8.3817 20.817  9.4696 0.6974850      12.64620 
1 1 1 13 36 1  o 39.795  5.7686 19.476   3.1976  45.566  7.3485 34.023  8.8942 11.54367       11.53721 
1 1 1 13 36 3  o 77.388  3.5564 65.102   3.8646  73.878  5.3921 80.898  4.6387 -7.020073      7.112798 
1 1 1 13 36 5  o 67.928  3.8480 50.929   3.6940  68.462  5.3126 67.393  5.5683 1.069550       7.696054 
1 1 1 13 36 7  o 18.012  5.6474 0.6697   2.8762  15.994  7.3540 20.030  8.5727 -4.036334      11.29482 
1 1 1 13 36 9  o 21.427  6.3025 3.2176   3.4630  17.142  8.0446 25.713  9.7040 -8.570728      12.60490 
1 1 1 13 36 11 o 28.227  6.5892 10.808   3.5065  21.563  9.3656 34.891  9.2712 -13.32755      13.17841 
1 1 1 13 36 13 o 28.818  6.8490 13.198   3.5109  32.801  9.2700 24.835  10.085 7.965618       13.69809 
1 1 1 13 36 15 o 55.966  4.6356 37.508   3.6603  55.989  6.2899 55.943  6.8111 0.4624939E-01  9.271139 
1 1 1 13 37 0  o 36.175  10.663 18.243   6.6969  36.175  10.663 ?       ?      0.000000       0.000000 
1 1 1 13 37 2  o 34.270  6.9223 17.263   3.7446  28.093  10.456 40.446  9.0742 -12.35266      13.84454 
1 1 1 13 37 4  o 55.828  4.7002 36.909   3.6804  56.724  6.1067 54.932  7.1467 1.791798       9.400343 
1 1 1 13 37 6  f 32.744  6.8398 16.695   3.6913  39.684  9.1928 25.805  10.130 13.87862       13.67970 
1 1 1 13 37 8  o 18.440  5.9635 1.1117   3.4907  19.544  8.7788 17.335  8.0738 2.209078       11.92700 
1 1 1 13 37 10 o 17.778  5.8089 -1.1844  3.5561  19.224  8.5340 16.331  7.8831 2.892677       11.61779 
1 1 1 14 1  1  o 664.394 4.1229 4427.87  37.735  671.364 4.9962 657.425 6.5598 13.93866       8.245798 
1 1 1 14 1  3  o 242.960 2.9125 565.492  7.2397  231.633 2.1185 254.288 5.4261 -22.65492      5.825057 
1 1 1 14 1  5  o 419.783 2.7329 1770.67  15.944  429.279 3.4025 410.287 4.2776 18.99176       5.465830 
1 1 1 14 1  7  o 836.557 5.0620 6998.21  58.369  834.573 6.1774 838.542 8.0208 -3.968567      10.12395 
1 1 1 14 1  9  o 806.155 4.9496 6502.64  54.350  806.040 5.8231 806.270 8.0053 -0.2300415     9.899187 
1 1 1 14 1  11 o 725.564 4.2759 5266.30  43.866  731.545 6.0925 719.583 6.0012 11.96259       8.551791 
1 1 1 14 1  13 o 214.536 1.6453 458.986  4.9737  208.241 2.2456 220.832 2.4052 -12.59105      3.290546 
1 1 1 14 1  15 o 113.540 1.3698 129.147  2.1938  118.244 1.8553 108.837 2.0157 9.406761       2.739587 
1 1 1 14 1  17 o 459.541 2.9674 2112.17  19.174  461.212 4.4437 457.871 3.9340 3.341278       5.934874 
1 1 1 14 1  19 o 271.648 1.9557 738.758  7.5048  277.536 2.6834 265.761 2.8458 11.77524       3.911414 
1 1 1 14 1  21 o 166.258 1.4364 276.469  3.3771  165.859 2.0189 166.656 2.0438 -0.7980194     2.872833 
1 1 1 14 1  23 o 337.850 2.2656 1142.29  10.825  337.816 3.1958 337.883 3.2123 -0.6695557E-01 4.531194 
1 1 1 14 1  25 o 180.357 1.6119 327.721  3.9588  184.466 1.8778 176.248 2.6205 8.218597       3.223856 
1 1 1 14 1  27 o 65.984  1.9763 43.810   1.6984  66.742  2.0760 65.227  3.3634 1.515381       3.952505 
1 1 1 14 1  29 o 148.607 1.5503 220.781  3.0895  148.238 1.7526 148.976 2.5577 -0.7381439     3.100517 
1 1 1 14 1  31 o 157.991 1.6399 249.504  3.4861  157.398 1.8706 158.584 2.6940 -1.186035      3.279741 
1 1 1 14 1  33 o 48.325  2.8763 23.217   1.9204  46.386  3.6094 50.265  4.4794 -3.879082      5.752637 
1 1 1 14 1  35 o 48.855  3.2299 24.017   2.1194  48.909  3.6592 48.801  5.3235 0.1081467      6.459883 
1 1 1 14 1  37 o 154.399 1.7911 239.093  3.7819  154.394 2.1314 154.404 2.8791 -0.1037598E-01 3.582148 
1 1 1 14 1  39 o 77.628  3.0328 61.992   2.8919  80.060  2.8123 75.196  5.3743 4.864098       6.065660 
1 1 1 14 1  41 o 35.269  4.9720 13.038   2.2954  32.828  6.0288 37.709  7.9080 -4.881203      9.943989 
1 1 1 14 1  43 o 21.688  5.8508 3.7159   2.5192  18.574  7.6694 24.801  8.8379 -6.227350      11.70167 
1 1 1 14 1  45 o 29.472  5.1253 9.2422   2.6240  18.175  7.7959 40.769  6.6556 -22.59333      10.25057 
1 1 1 14 1  47 o 28.032  6.4284 10.349   2.8720  28.295  8.1345 27.769  9.9563 0.5261745      12.85684 
1 1 1 14 1  49 o 22.029  6.7577 5.1146   4.0982  25.617  10.387 18.441  8.6475 7.176510       13.51543 
1 1 1 14 2  0  o 951.363 7.7930 9055.77  148.257 951.363 7.7930 ?       ?      0.000000       0.000000 
1 1 1 14 2  2  o 1110.98 6.8427 12346.20 106.359 1106.11 8.8417 1115.86 10.446 -9.746216      13.68547 
1 1 1 14 2  4  o 335.839 2.2922 1126.63  10.587  334.340 2.7801 337.337 3.6453 -2.997528      4.584438 
1 1 1 14 2  6  o 316.272 2.1750 997.247  9.4076  312.973 2.6009 319.570 3.4867 -6.597015      4.349909 
1 1 1 14 2  8  f 198.068 1.4634 392.349  4.0990  196.756 2.0833 199.380 2.0559 -2.623322      2.926890 
1 1 1 14 2  10 o 362.055 2.3341 1311.06  11.949  361.760 3.3354 362.351 3.2662 -0.5910645     4.668281 
1 1 1 14 2  12 o 730.340 4.2349 5332.75  43.647  722.352 5.7864 738.328 6.1851 -15.97504      8.469815 
1 1 1 14 2  14 o 43.377  2.2180 18.835   1.3512  43.110  3.3479 43.644  2.9102 -0.5336571     4.435974 
1 1 1 14 2  16 o 260.891 1.8777 680.779  6.9279  261.289 2.6514 260.492 2.6595 0.7966309      3.755416 
1 1 1 14 2  18 o 248.413 1.8978 619.254  6.6347  239.371 2.8460 257.456 2.5115 -18.08464      3.795679 
1 1 1 14 2  20 o 241.498 1.9635 583.143  6.6726  242.520 2.9280 240.475 2.6168 2.044952       3.926977 
1 1 1 14 2  22 o 140.668 1.4363 197.763  2.8551  137.632 2.0134 143.704 2.0489 -6.071793      2.872616 
1 1 1 14 2  24 o 54.413  2.4425 29.387   1.8403  52.511  3.0784 56.316  3.7931 -3.804565      4.885078 
1 1 1 14 2  26 o 51.493  2.5035 26.557   1.7227  51.508  2.8021 51.478  4.1495 0.2997971E-01  5.007014 
1 1 1 14 2  28 o 128.468 1.6295 165.396  2.8329  129.001 1.8796 127.935 2.6624 1.066170       3.259084 
1 1 1 14 2  30 o 59.291  2.1658 34.738   1.7815  55.799  2.7936 62.783  3.3104 -6.984104      4.331610 
1 1 1 14 2  32 o 63.038  2.3094 39.073   1.9580  59.775  2.7043 66.301  3.7443 -6.525612      4.618768 
1 1 1 14 2  34 o 101.594 1.7703 103.562  2.4553  102.160 2.0909 101.028 2.8573 1.132240       3.540609 
1 1 1 14 2  36 o 96.228  1.9444 92.603   2.5732  95.220  2.3646 97.237  3.0874 -2.017807      3.888854 
1 1 1 14 2  38 o 45.778  3.3944 21.209   2.1802  45.323  4.4583 46.233  5.1198 -0.9104042     6.788879 
1 1 1 14 2  40 o 47.954  4.1836 23.449   2.6256  47.726  4.4758 48.182  7.0695 -0.4559517     8.367192 
1 1 1 14 2  42 o 17.728  5.3299 0.4069   2.3445  18.066  7.4045 17.389  7.6683 0.6766319      10.65972 
1 1 1 14 2  44 o 24.245  5.8779 6.0349   2.5864  27.830  8.1781 20.661  8.4451 7.168407       11.75589 
1 1 1 14 2  46 o 29.471  5.9860 10.978   2.6113  28.871  8.0819 30.070  8.8324 -1.198988      11.97194 
1 1 1 14 2  48 o 18.209  5.8505 0.0000   3.2654  17.622  7.9709 18.796  8.5662 -1.173285      11.70108 
1 1 1 14 3  1  o 220.266 1.7248 485.417  5.3666  218.392 2.5113 222.141 2.3650 -3.748672      3.449649 
1 1 1 14 3  3  f 541.501 3.3580 2926.98  25.635  553.498 4.9127 529.504 4.5793 23.99414       6.716025 
1 1 1 14 3  5  o 381.928 2.7319 1462.83  14.652  373.913 4.1379 389.943 3.5681 -16.03009      5.463852 
1 1 1 14 3  7  o 739.453 4.3254 5470.19  45.230  734.288 6.1090 744.619 6.1251 -10.33118      8.650842 
1 1 1 14 3  9  o 986.500 5.6341 9740.37  78.603  985.932 7.9753 987.068 7.9603 -1.135925      11.26821 
1 1 1 14 3  11 o 309.215 2.0606 956.056  8.9929  310.147 3.0155 308.283 2.8091 1.863861       4.121204 
1 1 1 14 3  13 o 302.958 2.0152 918.259  8.6309  307.132 2.8008 298.785 2.8984 8.346924       4.030494 
1 1 1 14 3  15 o 349.839 2.2869 1223.07  11.305  358.954 3.2489 340.724 3.2194 18.22974       4.573773 
1 1 1 14 3  17 o 362.572 2.8050 1317.89  13.806  360.428 4.5650 364.717 3.2608 -4.288513      5.610058 
1 1 1 14 3  19 o 22.159  4.7387 3.2607   2.0491  13.995  6.3977 30.323  6.9921 -16.32787      9.477380 
1 1 1 14 3  21 o 174.766 1.5516 302.851  3.7904  183.432 2.3290 166.100 2.0507 17.33176       3.103181 
1 1 1 14 3  23 o 159.385 1.9777 250.470  4.2111  153.483 2.2569 165.287 3.2483 -11.80391      3.955415 
1 1 1 14 3  25 o 275.219 2.1014 759.198  7.9995  276.883 2.5855 273.555 3.3134 3.327850       4.202787 
1 1 1 14 3  27 o 69.171  1.9749 48.357   1.8012  70.770  2.1210 67.573  3.3321 3.197006       3.949851 
1 1 1 14 3  29 o 104.857 1.6263 110.113  2.3677  105.196 2.0306 104.518 2.5409 0.6783295      3.252594 
1 1 1 14 3  31 o 166.635 1.6722 278.736  3.7440  167.930 1.8908 165.340 2.7585 2.589966       3.344308 
1 1 1 14 3  33 o 65.942  2.3113 43.209   2.0596  64.228  2.6966 67.657  3.7546 -3.428627      4.622610 
1 1 1 14 3  35 o 60.927  2.4551 36.964   2.0594  59.161  3.0251 62.692  3.8677 -3.531445      4.910257 
1 1 1 14 3  37 o 52.111  3.3767 27.750   2.4193  43.607  5.2957 60.614  4.1908 -17.00755      6.753329 
1 1 1 14 3  39 o 65.407  2.4765 43.027   2.2508  64.804  3.1181 66.010  3.8482 -1.206444      4.952910 
1 1 1 14 3  41 o 33.566  5.0330 12.196   2.2950  36.078  5.6008 31.054  8.3639 5.023849       10.06594 
1 1 1 14 3  43 o 21.654  5.7046 3.0427   2.6240  26.383  8.4907 16.926  7.6211 9.456532       11.40928 
1 1 1 14 3  45 o 21.515  5.9010 3.8991   2.6113  18.348  7.7324 24.683  8.9161 -6.334972      11.80200 
1 1 1 14 3  47 o 17.632  5.2154 -0.9484  2.5688  12.246  6.0204 23.018  8.5181 -10.77222      10.43086 
1 1 1 14 3  49 o 17.719  5.7242 0.3152   3.2018  18.560  8.3728 16.877  7.8077 1.683525       11.44832 
1 1 1 14 4  0  o 146.668 1.8901 215.226  5.5423  146.668 1.8901 ?       ?      0.000000       0.000000 
1 1 1 14 4  2  o 589.796 3.7415 3473.35  30.392  593.803 5.9307 585.788 4.5631 8.014587       7.482984 
1 1 1 14 4  4  o 545.189 3.4062 2975.15  25.621  543.724 5.3939 546.653 4.1611 -2.928650      6.812388 
1 1 1 14 4  6  o 100.406 1.3587 99.056   1.7932  104.344 2.2685 96.469  1.4961 7.875076       2.717442 
1 1 1 14 4  8  o 426.248 2.9011 1818.80  17.359  423.675 4.3878 428.821 3.7966 -5.146210      5.802274 
1 1 1 14 4  10 o 104.714 1.4621 109.641  2.1646  102.895 2.0760 106.534 2.0593 -3.638603      2.924103 
1 1 1 14 4  12 f 639.311 3.7612 4089.34  33.998  640.381 5.3821 638.242 5.2554 2.139465       7.522443 
1 1 1 14 4  14 o 443.134 2.8142 1963.67  17.629  437.444 3.9461 448.823 4.0133 -11.37946      5.628321 
1 1 1 14 4  16 f 332.810 2.5061 1109.85  11.606  330.237 3.8985 335.382 3.1501 -5.145691      5.012159 
1 1 1 14 4  18 o 528.197 3.7950 2793.19  28.346  523.789 5.3898 532.605 5.3439 -8.815491      7.589945 
1 1 1 14 4  20 o 225.206 1.7331 507.567  5.5060  226.516 2.3448 223.896 2.5528 2.619965       3.466222 
1 1 1 14 4  22 o 256.850 2.0271 659.907  7.3517  255.731 2.7768 257.969 2.9541 -2.237259      4.054281 
1 1 1 14 4  24 o 257.091 1.8975 661.320  6.8979  258.032 2.7073 256.150 2.6595 1.882294       3.795049 
1 1 1 14 4  26 o 147.876 1.4143 219.104  2.9262  149.170 1.8190 146.581 2.1662 2.588928       2.828656 
1 1 1 14 4  28 o 85.073  1.7319 72.027   1.9580  83.901  1.9267 86.244  2.8784 -2.343369      3.463745 
1 1 1 14 4  30 o 94.153  1.7404 89.554   2.2508  97.445  2.0736 90.861  2.7957 6.583488       3.480798 
1 1 1 14 4  32 o 49.574  2.7299 24.353   1.8422  47.629  3.2728 51.520  4.3702 -3.891846      5.459846 
1 1 1 14 4  34 o 88.026  1.8830 77.080   2.2950  85.426  2.3654 90.625  2.9304 -5.199867      3.765925 
1 1 1 14 4  36 o 32.133  4.4793 10.928   1.9357  34.968  4.9530 29.299  7.4649 5.669428       8.958638 
1 1 1 14 4  38 o 22.465  5.6338 4.4973   2.2771  20.053  7.7249 24.877  8.2027 -4.824139      11.26758 
1 1 1 14 4  40 o 20.012  5.0758 1.3826   2.2193  13.272  6.2359 26.752  8.0105 -13.47983      10.15161 
1 1 1 14 4  42 o 21.234  5.6300 3.7505   2.3349  19.604  7.9396 22.864  7.9842 -3.259880      11.25991 
1 1 1 14 4  44 o 27.212  5.8950 8.5122   2.4771  28.199  8.5071 26.225  8.1629 1.973980       11.78995 
1 1 1 14 4  46 o 20.805  5.7303 4.3646   2.4506  21.793  8.1175 19.816  8.0903 1.976982       11.46068 
1 1 1 14 4  48 o 29.195  5.8736 11.442   2.6189  25.665  8.8677 32.726  7.7046 -7.060863      11.74719 
1 1 1 14 5  1  f 412.588 2.7412 1708.06  15.745  405.900 4.2670 419.277 3.4424 -13.37640      5.482434 
1 1 1 14 5  3  o 968.964 5.6992 9410.24  76.289  963.130 9.0093 974.797 6.9826 -11.66705      11.39847 
1 1 1 14 5  5  o 224.363 1.6993 496.822  5.1029  231.951 2.7877 216.776 1.9442 15.17468       3.398654 
1 1 1 14 5  7  o 260.294 1.9643 674.928  6.7838  262.772 3.2736 257.815 2.1721 4.957031       3.928679 
1 1 1 14 5  9  o 939.734 5.6155 8852.54  73.089  933.633 8.8302 945.836 6.9401 -12.20349      11.23108 
1 1 1 14 5  11 o 296.647 2.2549 881.184  9.2464  295.239 3.5589 298.055 2.7699 -2.816040      4.509757 
1 1 1 14 5  13 o 325.895 2.1794 1061.26  10.029  320.911 3.0044 330.878 3.1581 -9.967621      4.358885 
1 1 1 14 5  15 o 201.491 1.4982 404.513  4.2527  193.585 2.0578 209.397 2.1781 -15.81248      2.996412 
1 1 1 14 5  17 o 200.245 1.6452 401.125  4.6258  200.464 2.1599 200.026 2.4822 0.4382477      3.290369 
1 1 1 14 5  19 o 159.419 1.5237 254.040  3.4329  155.328 2.1558 163.510 2.1538 -8.182617      3.047307 
1 1 1 14 5  21 o 208.864 1.8181 434.868  5.2427  205.960 2.2425 211.768 2.8625 -5.808411      3.636295 
1 1 1 14 5  23 o 113.073 1.5161 127.510  2.4124  116.057 2.2385 110.089 2.0452 5.967621       3.032141 
1 1 1 14 5  25 o 102.786 1.5291 105.790  2.1391  103.048 1.7928 102.525 2.4777 0.5224991      3.058250 
1 1 1 14 5  27 o 95.082  1.5633 91.126   2.0639  98.518  1.9338 91.646  2.4568 6.871315       3.126587 
1 1 1 14 5  29 o 221.461 1.7146 491.034  5.2839  221.781 2.1606 221.140 2.6629 0.6407776      3.429151 
1 1 1 14 5  31 o 95.349  1.7144 91.389   2.2362  96.667  2.0306 94.031  2.7629 2.635750       3.428804 
1 1 1 14 5  33 o 103.243 1.6355 107.357  2.3544  106.526 2.0594 99.960  2.5412 6.565636       3.270958 
1 1 1 14 5  35 o 53.028  2.9227 28.151   2.1802  50.713  3.9844 55.343  4.2770 -4.630276      5.845349 
1 1 1 14 5  37 o 110.355 1.7991 122.010  2.7759  109.371 2.3226 111.340 2.7482 -1.969139      3.598170 
1 1 1 14 5  39 o 56.106  2.8349 31.637   2.2382  53.474  3.8867 58.738  4.1281 -5.263432      5.669881 
1 1 1 14 5  41 o 21.534  5.4806 4.3315   2.1345  21.570  7.8459 21.497  7.6546 0.7267952E-01  10.96129 
1 1 1 14 5  43 o 43.387  3.9129 19.700   2.3955  42.100  5.7595 44.675  5.2983 -2.575130      7.825876 
1 1 1 14 5  45 o 40.042  4.4868 17.608   2.5402  39.538  6.4248 40.547  6.2649 -1.009247      8.973671 
1 1 1 14 5  47 o 15.449  5.0750 -3.0271  2.7759  14.274  6.9120 16.623  7.4328 -2.348646      10.15000 
1 1 1 14 6  0  o 64.837  1.8733 42.145   2.4248  64.837  1.8733 ?       ?      0.000000       0.000000 
1 1 1 14 6  2  o 371.542 2.4669 1380.72  12.960  372.654 3.4548 370.431 3.5222 2.222839       4.933722 
1 1 1 14 6  4  o 586.375 3.6458 3438.47  29.402  587.036 5.8024 585.713 4.4158 1.322571       7.291580 
1 1 1 14 6  6  f 774.963 4.7843 6029.40  51.451  763.136 7.5046 786.790 5.9362 -23.65417      9.568586 
1 1 1 14 6  8  o 646.606 4.0644 4186.08  35.695  645.140 6.6042 648.072 4.7392 -2.932617      8.128711 
1 1 1 14 6  10 o 285.498 2.0443 813.856  7.8843  286.855 3.3409 284.141 2.3569 2.714447       4.088604 
1 1 1 14 6  12 o 544.280 3.3999 2963.62  25.591  544.557 5.3539 544.003 4.1919 0.5537720      6.799716 
1 1 1 14 6  14 o 388.195 2.5670 1508.41  13.658  387.357 4.1135 389.032 3.0719 -1.675446      5.133975 
1 1 1 14 6  16 o 532.181 3.7796 2836.13  28.425  535.804 5.2150 528.559 5.4722 7.245483       7.559224 
1 1 1 14 6  18 o 211.402 1.6981 448.283  5.0316  215.502 2.1968 207.302 2.5900 8.199738       3.396140 
1 1 1 14 6  20 o 216.143 1.6620 467.019  5.0745  218.732 2.4019 213.555 2.2979 5.176910       3.324037 
1 1 1 14 6  22 o 255.116 1.8641 650.591  6.7158  258.890 2.6983 251.342 2.5726 7.547729       3.728138 
1 1 1 14 6  24 o 81.768  1.6740 66.942   1.9336  80.532  2.4374 83.004  2.2953 -2.472511      3.348026 
1 1 1 14 6  26 o 39.397  2.9459 15.355   1.6206  36.404  3.9647 42.391  4.3581 -5.986904      5.891723 
1 1 1 14 6  28 o 58.616  2.4347 35.048   1.8371  60.853  2.4667 56.378  4.1985 4.474564       4.869454 
1 1 1 14 6  30 o 39.994  3.2771 16.396   1.7431  42.255  3.5523 37.732  5.5082 4.522949       6.554294 
1 1 1 14 6  32 o 149.561 1.6257 224.064  3.3436  149.744 1.9663 149.379 2.5894 0.3649597      3.251359 
1 1 1 14 6  34 o 64.140  2.3244 41.188   2.0973  63.118  3.1099 65.161  3.4554 -2.042763      4.648760 
1 1 1 14 6  36 o 124.444 1.7078 154.708  2.9743  121.762 2.2285 127.126 2.5886 -5.363190      3.415656 
1 1 1 14 6  38 o 86.364  2.0342 74.970   2.4771  86.085  2.7496 86.643  2.9985 -0.5580139     4.068315 
1 1 1 14 6  40 o 16.944  5.1191 -0.1979  2.2223  15.087  6.8197 18.801  7.6364 -3.713010      10.23826 
1 1 1 14 6  42 o 57.159  2.9997 33.446   2.4234  58.540  4.2407 55.778  4.2437 2.761948       5.999344 
1 1 1 14 6  44 o 68.243  2.5914 47.802   2.4489  68.036  4.0731 68.450  3.2050 -0.4140244     5.182879 
1 1 1 14 6  46 o 20.758  5.7411 4.3442   2.4506  20.427  8.1867 21.089  8.0510 -0.6619835     11.48223 
1 1 1 14 6  48 o 19.609  5.9311 3.8709   2.7369  21.336  9.2428 17.883  7.4351 3.452845       11.86215 
1 1 1 14 7  1  o 119.087 1.9145 145.755  2.9030  112.588 3.3330 125.586 1.8848 -12.99724      3.829037 
1 1 1 14 7  3  o 473.270 3.0488 2238.38  20.383  481.243 4.3907 465.296 4.2310 15.94720       6.097521 
1 1 1 14 7  5  o 1053.47 6.2018 11135.45 90.407  1043.26 9.7783 1063.69 7.6311 -20.42590      12.40359 
1 1 1 14 7  7  o 749.921 4.4659 5636.15  46.318  744.997 7.0441 754.844 5.4914 -9.847229      8.931729 
1 1 1 14 7  9  o 543.127 3.4368 2952.20  25.504  542.490 5.5339 543.764 4.0770 -1.273865      6.873552 
1 1 1 14 7  11 o 328.359 2.3221 1075.60  10.418  331.212 3.7302 325.506 2.7668 5.705902       4.644293 
1 1 1 14 7  13 o 151.634 1.6304 227.166  3.2311  155.626 2.7452 147.641 1.7596 7.985321       3.260708 
1 1 1 14 7  15 o 514.415 3.8023 2652.42  25.085  513.043 6.5379 515.786 3.8840 -2.743164      7.604608 
1 1 1 14 7  17 o 104.201 1.7083 109.724  2.2873  102.034 2.9422 106.367 1.7368 -4.333382      3.416628 
1 1 1 14 7  19 o 176.358 1.6108 314.001  3.9073  169.937 2.5819 182.780 1.9267 -12.84328      3.221592 
1 1 1 14 7  21 o 215.601 1.8392 456.985  5.4072  227.444 2.9191 203.758 2.2384 23.68546       3.678473 
1 1 1 14 7  23 o 203.968 1.6507 415.619  4.7543  208.946 2.3762 198.991 2.2920 9.954773       3.301448 
1 1 1 14 7  25 f 164.909 1.6617 272.185  3.8543  165.091 2.2031 164.727 2.4884 0.3645020      3.323491 
1 1 1 14 7  27 o 71.836  1.9148 51.492   1.8991  70.922  2.3607 72.749  3.0156 -1.827118      3.829689 
1 1 1 14 7  29 o 154.887 1.5565 239.849  3.3060  154.328 1.8704 155.445 2.4884 -1.117447      3.112969 
1 1 1 14 7  31 o 122.213 1.6109 149.072  2.7279  120.556 2.0113 123.870 2.5168 -3.314377      3.221734 
1 1 1 14 7  33 o 91.940  1.8436 84.854   2.3163  92.561  2.1830 91.318  2.9714 1.243042       3.687102 
1 1 1 14 7  35 f 20.719  4.8781 4.1567   1.6742  20.719  6.8987 20.719  6.8987 0.000000       9.756180 
1 1 1 14 7  37 o 68.225  2.3335 46.819   2.2501  66.544  3.2968 69.906  3.3034 -3.362015      4.667041 
1 1 1 14 7  39 o 34.165  4.4548 12.566   2.0393  29.462  7.4401 38.868  4.9016 -9.405743      8.909618 
1 1 1 14 7  41 o 41.501  3.5270 17.734   2.0296  40.565  5.5505 42.438  4.3532 -1.873356      7.054015 
1 1 1 14 7  43 o 25.181  5.5961 7.0104   2.1923  27.165  8.3404 23.198  7.4635 3.966681       11.19220 
1 1 1 14 7  45 o 17.639  5.2119 1.9204   2.1391  18.023  7.7648 17.256  6.9543 0.7664661      10.42373 
1 1 1 14 7  47 o 17.262  5.1546 0.7089   2.3737  15.181  7.2319 19.344  7.3471 -4.162199      10.30923 
1 1 1 14 8  0  o 859.732 7.0453 7395.51  121.122 859.732 7.0453 ?       ?      0.000000       0.000000 
1 1 1 14 8  2  o 522.553 3.1637 2729.92  23.364  529.498 4.5357 515.608 4.4116 13.89026       6.327327 
1 1 1 14 8  4  o 55.345  1.9159 30.474   1.4922  58.161  2.7794 52.529  2.6377 5.631958       3.831764 
1 1 1 14 8  6  o 688.290 4.0426 4739.95  39.331  688.694 5.8177 687.886 5.6147 0.8081055      8.085224 
1 1 1 14 8  8  o 328.921 2.2635 1083.41  10.140  327.664 3.6648 330.178 2.6578 -2.513367      4.527092 
1 1 1 14 8  10 o 323.140 2.3862 1048.55  10.401  319.535 3.9207 326.746 2.7210 -7.210907      4.772373 
1 1 1 14 8  12 o 340.213 2.4029 1156.38  11.054  341.408 3.9231 339.017 2.7758 2.390747       4.805820 
1 1 1 14 8  14 o 291.458 2.2518 848.879  8.5163  292.106 3.8342 290.811 2.3624 1.294830       4.503603 
1 1 1 14 8  16 o 169.522 1.6779 290.446  3.9073  162.689 2.6970 176.354 1.9969 -13.66508      3.355783 
1 1 1 14 8  18 o 120.560 1.5267 148.005  2.5192  111.961 2.4751 129.158 1.7880 -17.19661      3.053342 
1 1 1 14 8  20 o 114.372 1.6179 129.982  2.3513  115.800 2.7919 112.945 1.6357 2.855736       3.235759 
1 1 1 14 8  22 o 170.805 1.6972 292.644  3.7693  169.840 2.8893 171.770 1.7813 -1.929581      3.394327 
1 1 1 14 8  24 o 257.514 1.9724 664.946  6.8741  256.150 3.2230 258.878 2.2747 -2.727814      3.944865 
1 1 1 14 8  26 o 168.828 1.6587 285.288  3.9443  169.023 2.2202 168.633 2.4649 0.3897705      3.317397 
1 1 1 14 8  28 o 26.678  4.1920 7.2999   1.4818  27.141  4.4670 26.215  7.0948 0.9260979      8.383926 
1 1 1 14 8  30 o 64.151  1.9203 41.256   1.7146  64.431  2.4193 63.871  2.9828 0.5605164      3.840610 
1 1 1 14 8  32 o 31.719  3.8119 10.544   1.6083  23.485  6.2713 39.953  4.3350 -16.46833      7.623789 
1 1 1 14 8  34 o 106.356 1.5455 113.839  2.3035  110.083 1.9929 102.629 2.3627 7.454460       3.090911 
1 1 1 14 8  36 o 77.573  1.8199 60.371   1.9813  77.444  2.3855 77.702  2.7491 -0.2582474     3.639800 
1 1 1 14 8  38 o 109.091 1.6475 119.192  2.5284  107.397 2.2040 110.785 2.4493 -3.388786      3.294914 
1 1 1 14 8  40 o 39.781  3.5082 16.189   1.9357  40.028  5.4807 39.534  4.3809 0.4942169      7.016441 
1 1 1 14 8  42 o 45.022  3.0209 20.868   1.8894  43.896  4.7347 46.149  3.7530 -2.252270      6.041755 
1 1 1 14 8  44 o 46.543  2.9080 22.516   1.9052  49.148  3.8764 43.939  4.3360 5.209663       5.816078 
1 1 1 14 8  46 o 26.886  4.6055 8.9614   1.8612  20.567  7.9250 33.206  4.6943 -12.63821      9.210996 
1 1 1 14 8  48 o 15.045  4.7514 0.1857   1.9801  15.562  7.2317 14.529  6.1650 1.032867       9.502892 
1 1 1 14 9  1  o 1127.79 8.5378 12741.21 133.640 1130.72 13.331 1124.85 10.670 5.867432       17.07565 
1 1 1 14 9  3  f 599.892 3.7123 3600.38  31.492  594.966 5.2690 604.818 5.2309 -9.852173      7.424571 
1 1 1 14 9  5  o 392.095 2.5351 1537.40  14.053  395.377 3.6213 388.814 3.5487 6.563385       5.070219 
1 1 1 14 9  7  f 256.296 1.8317 656.935  6.6387  257.602 2.5997 254.990 2.5811 2.612289       3.663400 
1 1 1 14 9  9  o 512.040 3.2719 2629.43  22.868  508.000 5.2846 516.081 3.8594 -8.081177      6.543817 
1 1 1 14 9  11 o 490.848 3.1184 2413.62  21.276  487.969 4.8626 493.728 3.9055 -5.759552      6.236817 
1 1 1 14 9  13 o 265.376 2.4549 707.975  8.0545  263.179 4.3215 267.574 2.3302 -4.395599      4.909716 
1 1 1 14 9  15 f 342.403 2.4142 1174.55  11.639  337.902 3.6050 346.904 3.2119 -9.001923      4.828343 
1 1 1 14 9  17 o 249.770 2.0027 622.651  6.7752  251.474 3.2600 248.066 2.3273 3.408478       4.005460 
1 1 1 14 9  19 o 189.655 1.6429 357.983  4.2194  192.474 2.6695 186.836 1.9158 5.637619       3.285839 
1 1 1 14 9  21 o 304.490 2.2008 934.160  9.2372  296.196 3.5084 312.783 2.6579 -16.58676      4.401528 
1 1 1 14 9  23 o 338.683 2.3906 1153.47  11.146  333.089 3.8131 344.276 2.8843 -11.18692      4.781121 
1 1 1 14 9  25 o 161.587 1.6892 261.225  3.6208  161.670 2.8211 161.503 1.8588 0.1670685      3.378427 
1 1 1 14 9  27 o 169.893 1.5059 288.880  3.5896  169.698 2.2794 170.088 1.9687 -0.3904266     3.011848 
1 1 1 14 9  29 o 161.677 1.5399 261.140  3.4239  162.763 2.4474 160.590 1.8694 2.173416       3.079713 
1 1 1 14 9  31 o 55.704  2.1813 32.245   1.3449  53.068  4.0252 58.340  1.6823 -5.271793      4.362613 
1 1 1 14 9  33 o 89.208  1.7154 78.341   2.0097  92.633  2.8669 85.783  1.8844 6.849808       3.430744 
1 1 1 14 9  35 o 27.545  4.4895 7.6976   1.5395  28.023  7.9009 27.068  4.2658 0.9554482      8.978950 
1 1 1 14 9  37 f 30.152  4.1931 9.5079   1.4752  29.474  7.5939 30.829  3.5580 -1.354939      8.386117 
1 1 1 14 9  39 f 51.997  3.1181 28.530   1.5362  49.598  5.9364 54.396  1.9104 -4.797436      6.236229 
1 1 1 14 9  41 o 47.287  4.7647 24.347   2.3370  49.562  3.3780 45.011  8.9106 4.551403       9.529390 
1 1 1 14 9  43 o 15.227  5.1301 -2.0615  1.9581  11.670  5.2361 18.783  8.8235 -7.112362      10.26014 
1 1 1 14 9  45 o 19.501  6.1190 -0.3436  3.5692  21.691  9.0226 17.311  8.2681 4.380157       12.23799 
1 1 1 14 9  47 o 22.346  6.6031 5.7622   3.6289  24.803  9.6752 19.888  8.9886 4.915428       13.20627 
1 1 1 14 10 0  o 519.529 4.4902 2700.25  46.648  519.529 4.4902 ?       ?      0.000000       0.000000 
1 1 1 14 10 2  o 695.671 4.1254 4836.55  40.485  684.563 5.6335 706.779 6.0283 -22.21649      8.250862 
1 1 1 14 10 4  o 192.742 1.5779 371.437  4.2993  191.095 2.2054 194.389 2.2571 -3.293961      3.155724 
1 1 1 14 10 6  o 522.378 3.1374 2727.74  23.149  514.590 4.3418 530.166 4.5300 -15.57642      6.274724 
1 1 1 14 10 8  o 260.990 1.8411 680.660  6.7480  262.679 2.7693 259.301 2.4268 3.378174       3.682171 
1 1 1 14 10 10 o 235.995 1.8804 552.796  6.0619  241.845 3.0078 230.145 2.2577 11.70061       3.760856 
1 1 1 14 10 12 o 149.300 1.5274 219.063  2.9695  154.804 2.5733 143.797 1.6461 11.00711       3.054726 
1 1 1 14 10 14 o 178.055 1.6536 317.638  4.0695  176.834 2.6118 179.275 2.0288 -2.441605      3.307211 
1 1 1 14 10 16 o 172.938 1.7040 297.148  3.8193  175.346 2.8974 170.530 1.7943 4.815643       3.407975 
1 1 1 14 10 18 o 416.429 2.8155 1731.16  16.023  420.173 4.5205 412.684 3.3575 7.488831       5.630944 
1 1 1 14 10 20 o 150.281 1.5228 229.475  3.0699  143.646 2.5320 156.917 1.6924 -13.27051      3.045550 
1 1 1 14 10 22 o 212.955 1.8538 453.888  5.2877  212.858 3.0648 213.051 2.0865 -0.1931915     3.707669 
1 1 1 14 10 24 o 382.700 2.7703 1471.47  14.697  377.909 4.3539 387.491 3.4268 -9.582397      5.540670 
1 1 1 14 10 26 o 279.963 2.0144 785.319  7.9633  276.275 2.9464 283.651 2.7477 -7.376434      4.028806 
1 1 1 14 10 28 o 124.786 1.5758 156.094  2.7603  123.391 2.3862 126.181 2.0589 -2.790161      3.151676 
1 1 1 14 10 30 o 143.919 1.6074 206.115  3.2044  147.644 2.5025 140.194 2.0178 7.450409       3.214713 
1 1 1 14 10 32 o 89.274  3.0011 81.110   3.7217  81.019  4.7030 97.529  3.7293 -16.51066      6.002157 
1 1 1 14 10 34 o 60.402  3.6115 38.099   2.8889  66.030  3.8471 54.773  6.1133 11.25658       7.223081 
1 1 1 14 10 36 o 22.983  5.9342 3.9995   2.6827  26.093  8.2852 19.873  8.4980 6.219938       11.86848 
1 1 1 14 10 38 o 39.410  5.3508 16.249   2.7931  35.923  6.8354 42.897  8.2341 -6.974049      10.70156 
1 1 1 14 10 40 o 59.814  3.9984 35.972   3.1245  56.601  4.3859 63.027  6.6868 -6.425629      7.996846 
1 1 1 14 10 42 o 54.746  5.0913 33.102   3.8129  59.191  5.9497 50.301  8.2637 8.889786       10.18265 
1 1 1 14 10 44 o 20.092  6.3242 1.0839   3.5040  17.755  8.0383 22.429  9.7656 -4.673162      12.64834 
1 1 1 14 10 46 o 25.570  7.1696 8.1540   3.9657  20.374  8.9905 30.766  11.171 -10.39234      14.33920 
1 1 1 14 11 1  o 147.290 1.4411 216.760  2.9976  145.037 1.9903 149.543 2.0847 -4.506454      2.882216 
1 1 1 14 11 3  o 608.879 3.6675 3708.84  31.564  612.739 5.2669 605.019 5.1051 7.719849       7.335000 
1 1 1 14 11 5  o 625.063 3.7091 3906.76  32.763  614.153 5.1796 635.972 5.3105 -21.81860      7.418189 
1 1 1 14 11 7  o 379.355 2.4962 1437.81  13.369  386.258 3.6171 372.451 3.4411 13.80713       4.992455 
1 1 1 14 11 9  o 318.318 2.3053 1010.10  10.264  324.699 3.5027 311.937 2.9982 12.76224       4.610687 
1 1 1 14 11 11 o 383.126 2.6209 1468.14  14.109  382.152 3.4595 384.099 3.9380 -1.946442      5.241785 
1 1 1 14 11 13 o 235.956 1.8242 555.805  5.9003  237.573 2.9161 234.339 2.1926 3.233719       3.648465 
1 1 1 14 11 15 o 80.466  1.8615 63.543   1.8344  82.932  3.2718 78.000  1.7764 4.932503       3.722974 
1 1 1 14 11 17 o 328.569 2.4133 1085.39  10.755  323.926 3.9388 333.212 2.7895 -9.285522      4.826534 
1 1 1 14 11 19 o 267.393 2.0223 716.909  7.5118  264.871 3.1605 269.916 2.5239 -5.045349      4.044588 
1 1 1 14 11 21 o 39.592  4.3216 21.592   1.5215  26.118  8.3924 53.067  2.0670 -26.94878      8.643232 
1 1 1 14 11 23 o 231.825 2.0960 541.450  6.3431  228.522 3.5621 235.128 2.2098 -6.606262      4.191911 
1 1 1 14 11 25 o 228.778 1.8773 522.332  5.7409  230.548 3.1051 227.007 2.1109 3.541382       3.754661 
1 1 1 14 11 27 o 20.392  4.5811 3.6051   1.5762  17.509  7.6112 23.275  5.1004 -5.766603      9.162111 
1 1 1 14 11 29 o 52.063  4.1947 27.700   2.8250  53.601  4.3083 50.526  7.1986 3.075485       8.389338 
1 1 1 14 11 31 o 69.767  3.5288 49.042   3.3475  69.967  4.1257 69.567  5.7262 0.3999786      7.057641 
1 1 1 14 11 33 o 22.578  6.2965 2.6215   3.0491  24.040  8.6433 21.115  9.1585 2.925398       12.59310 
1 1 1 14 11 35 o 23.439  6.5558 3.3485   3.0146  19.476  7.9199 27.403  10.449 -7.927759      13.11164 
1 1 1 14 11 37 o 86.451  2.5282 75.362   3.0863  85.997  3.6923 86.904  3.4545 -0.9071503     5.056338 
1 1 1 14 11 39 o 31.009  7.0889 10.519   3.5109  28.424  9.5005 33.594  10.524 -5.169359      14.17775 
1 1 1 14 11 41 o 18.700  5.9740 -1.8741  3.2468  17.446  7.7463 19.955  9.0966 -2.509188      11.94795 
1 1 1 14 11 43 o 15.469  5.2448 -7.4778  3.2878  15.564  7.2620 15.373  7.5695 0.1908731      10.48966 
1 1 1 14 11 45 o 22.634  6.1191 4.2066   3.3084  27.768  8.9625 17.499  8.3335 10.26874       12.23817 
1 1 1 14 11 47 o 22.217  6.7513 5.7956   3.8646  19.988  8.9830 24.446  10.081 -4.458908      13.50253 
1 1 1 14 12 0  o 830.421 6.8350 6901.55  113.502 830.421 6.8350 ?       ?      0.000000       0.000000 
1 1 1 14 12 2  o 485.846 2.9911 2360.69  20.545  493.904 4.2431 477.788 4.2171 16.11588       5.982261 
1 1 1 14 12 4  o 311.593 2.1494 971.046  9.4593  310.929 2.9523 312.258 3.1246 -1.328857      4.298705 
1 1 1 14 12 6  o 177.962 1.5169 317.021  3.8025  176.452 2.2576 179.471 2.0266 -3.019608      3.033757 
1 1 1 14 12 8  o 307.260 2.1858 943.725  9.4821  310.685 3.1776 303.836 3.0022 6.849060       4.371505 
1 1 1 14 12 10 o 127.460 1.4597 162.659  2.6240  129.159 1.9667 125.760 2.1576 3.398529       2.919476 
1 1 1 14 12 12 o 178.726 1.5652 319.603  3.9545  180.810 2.1712 176.643 2.2551 4.167587       3.130471 
1 1 1 14 12 14 o 159.772 1.5600 254.761  3.3254  160.685 2.5869 158.859 1.7444 1.826111       3.120073 
1 1 1 14 12 16 o 67.171  1.9977 44.973   1.7320  67.678  3.4122 66.664  2.0785 1.013924       3.995370 
1 1 1 14 12 18 o 102.475 1.7787 102.691  2.1804  105.950 3.1604 98.999  1.6329 6.951332       3.557309 
1 1 1 14 12 20 o 116.795 1.7034 139.545  2.5477  111.516 2.9509 122.074 1.7025 -10.55740      3.406829 
1 1 1 14 12 22 o 131.439 1.6850 173.829  2.8591  129.947 2.8878 132.932 1.7372 -2.985107      3.370052 
1 1 1 14 12 24 o 58.381  2.9428 37.136   1.7175  52.846  5.5716 63.916  1.8968 -11.06995      5.885620 
1 1 1 14 12 26 o 68.829  2.2064 49.012   1.8073  65.359  3.9749 72.299  1.9165 -6.940292      4.412796 
1 1 1 14 12 28 o 78.464  2.8600 61.382   2.9636  77.244  3.1391 79.685  4.7818 -2.440437      5.720058 
1 1 1 14 12 30 o 65.806  3.2999 42.227   2.9697  58.606  4.2359 73.006  5.0611 -14.39964      6.599798 
1 1 1 14 12 32 o 65.846  3.4418 43.027   3.1103  62.173  4.2714 69.519  5.3979 -7.346062      6.883522 
1 1 1 14 12 34 f 42.907  5.3300 19.769   2.9317  46.239  5.3688 39.575  9.2092 6.664078       10.65992 
1 1 1 14 12 36 o 50.319  5.7390 28.222   3.5003  56.694  5.0916 43.945  10.287 12.74891       11.47809 
1 1 1 14 12 38 o 28.704  5.5020 7.7442   2.8855  39.229  7.4797 18.179  8.0710 21.04991       11.00396 
1 1 1 14 12 40 o 49.023  5.5029 26.668   3.4264  52.246  5.5250 45.800  9.5185 6.446472       11.00580 
1 1 1 14 12 42 f 55.301  4.8201 32.878   3.7019  50.835  6.3598 59.767  7.2446 -8.932346      9.640106 
1 1 1 14 12 44 o 19.677  6.2440 0.4729   3.6142  19.646  8.6790 19.708  8.9792 -0.6270409E-01 12.48807 
1 1 1 14 12 46 o 21.471  6.4449 5.4003   3.4876  22.800  9.1467 20.141  9.0821 2.659832       12.88982 
1 1 1 14 13 1  o 170.568 1.6633 290.288  3.9956  166.695 2.2512 174.441 2.4491 -7.746445      3.326528 
1 1 1 14 13 3  o 119.675 2.1031 140.583  3.2330  124.078 3.5827 115.271 2.2037 8.806732       4.206210 
1 1 1 14 13 5  o 391.815 2.6717 1533.84  14.689  387.979 3.5117 395.651 4.0273 -7.672150      5.343366 
1 1 1 14 13 7  f 203.903 1.7618 415.722  5.0778  205.855 2.5241 201.950 2.4585 3.905029       3.523517 
1 1 1 14 13 9  o 67.138  1.8750 45.097   1.7225  67.184  2.2342 67.092  3.0117 0.9196472E-01  3.749973 
1 1 1 14 13 11 o 438.534 2.7140 1924.75  16.829  441.452 3.7926 435.617 3.8831 5.835297       5.427916 
1 1 1 14 13 13 o 101.839 1.6888 104.928  2.3872  108.190 2.0811 95.488  2.6603 12.70259       3.377580 
1 1 1 14 13 15 o 82.786  2.1292 69.944   2.1154  80.226  3.8140 85.346  1.8941 -5.119751      4.258385 
1 1 1 14 13 17 f 200.282 1.8218 401.859  4.7573  199.710 3.0932 200.854 1.9258 -1.143753      3.643674 
1 1 1 14 13 19 o 150.437 1.6319 228.425  3.2468  147.236 2.7447 153.638 1.7661 -6.401917      3.263855 
1 1 1 14 13 21 o 400.460 3.1885 1617.28  16.388  395.503 5.4885 405.418 3.2468 -9.914764      6.376958 
1 1 1 14 13 23 o 264.763 2.0289 705.172  7.3068  260.768 3.2988 268.759 2.3629 -7.990021      4.057730 
1 1 1 14 13 25 o 184.630 1.8563 340.359  4.6554  186.126 3.0087 183.134 2.1752 2.991653       3.712681 
1 1 1 14 13 27 o 71.265  3.2280 50.265   3.0146  68.956  3.5164 73.573  5.4144 -4.616341      6.456051 
1 1 1 14 13 29 o 120.953 2.3092 147.092  3.7224  121.739 2.5608 120.168 3.8434 1.571625       4.618440 
1 1 1 14 13 31 o 16.062  5.3024 -5.2536  2.8677  15.374  6.9958 16.750  7.9701 -1.375644      10.60487 
1 1 1 14 13 33 o 95.783  2.8109 91.411   3.7395  90.883  3.6209 100.683 4.3005 -9.800270      5.621859 
1 1 1 14 13 35 o 16.366  5.5954 -7.2629  3.1043  12.828  6.1671 19.904  9.3383 -7.076100      11.19088 
1 1 1 14 13 37 o 90.382  3.1876 82.431   3.5016  89.784  2.9578 90.980  5.6476 -1.195511      6.375271 
1 1 1 14 13 39 o 54.427  4.9335 31.304   3.5606  54.172  5.4352 54.683  8.2350 -0.5108986     9.866936 
1 1 1 14 13 41 o 22.228  6.6543 1.7825   3.6624  18.316  8.3309 26.141  10.379 -7.824980      13.30866 
1 1 1 14 13 43 o 21.387  6.5728 2.1599   3.8409  22.797  9.2948 19.976  9.2959 2.820406       13.14560 
1 1 1 14 13 45 o 20.330  6.4122 2.1813   3.6967  18.917  8.5270 21.742  9.5791 -2.825172      12.82449 
1 1 1 14 14 0  o 598.777 5.7284 3588.64  68.586  598.777 5.7284 ?       ?      0.000000       0.000000 
1 1 1 14 14 2  o 425.688 2.9686 1812.42  17.843  429.041 4.3194 422.336 4.0736 6.704651       5.937298 
1 1 1 14 14 4  o 294.566 2.2109 868.146  9.2075  293.056 3.1717 296.076 3.0809 -3.020477      4.421706 
1 1 1 14 14 6  o 436.992 3.4465 1916.47  20.552  433.279 5.5696 440.704 4.0610 -7.424957      6.892941 
1 1 1 14 14 8  o 409.142 3.1481 1673.80  18.089  406.017 4.1520 412.267 4.7332 -6.250275      6.296227 
1 1 1 14 14 10 o 363.891 2.9856 1327.29  14.776  362.258 4.8448 365.524 3.4906 -3.265747      5.971255 
1 1 1 14 14 12 o 434.321 2.9652 1888.58  18.047  434.143 4.5080 434.498 3.8533 -0.3553467     5.930420 
1 1 1 14 14 14 o 78.393  1.8292 61.480   2.0058  78.359  2.3576 78.426  2.7973 -0.6696320E-01 3.658345 
1 1 1 14 14 16 o 140.788 1.7237 199.274  3.3905  136.641 2.6618 144.934 2.1908 -8.292847      3.447464 
1 1 1 14 14 18 o 25.293  4.0077 7.1605   1.6200  15.788  7.2962 34.798  3.3182 -19.01021      8.015321 
1 1 1 14 14 20 o 205.569 1.7648 426.328  4.9788  199.400 2.8374 211.738 2.0995 -12.33824      3.529669 
1 1 1 14 14 22 o 144.909 1.6773 211.969  3.2280  141.779 2.8097 148.039 1.8329 -6.259567      3.354663 
1 1 1 14 14 24 o 136.944 2.0307 187.669  3.5575  137.087 3.4954 136.801 2.0679 0.2854309      4.061306 
1 1 1 14 14 26 o 80.104  2.8791 63.909   3.0416  78.728  3.1532 81.481  4.8181 -2.752785      5.758181 
1 1 1 14 14 28 o 41.796  5.0621 17.730   2.8329  39.848  6.0849 43.743  8.0915 -3.894135      10.12418 
1 1 1 14 14 30 o 206.191 2.3968 425.020  6.7542  203.647 2.8633 208.736 3.8445 -5.088684      4.793564 
1 1 1 14 14 32 o 50.842  4.9408 26.461   3.3876  51.151  5.6433 50.532  8.1117 0.6193008      9.881612 
1 1 1 14 14 34 o 54.904  4.1888 31.247   3.1238  57.633  4.8083 52.176  6.8603 5.456905       8.377521 
1 1 1 14 14 36 o 49.546  5.3981 25.626   3.6149  41.044  8.1667 58.048  7.0614 -17.00303      10.79625 
1 1 1 14 14 38 o 47.197  5.3889 23.989   3.4735  48.195  6.7082 46.199  8.4358 1.995388       10.77790 
1 1 1 14 14 40 o 63.224  4.2068 43.220   3.4220  66.930  4.2266 59.519  7.2749 7.411293       8.413614 
1 1 1 14 14 42 o 71.393  3.4796 54.813   3.4868  73.989  4.5257 68.797  5.2867 5.191223       6.959260 
1 1 1 14 14 44 o 20.211  6.2371 2.5698   3.3666  20.350  8.4508 20.071  9.1755 0.2795639      12.47422 
1 1 1 14 15 1  o 210.026 1.6741 437.290  4.8683  217.757 2.5982 202.296 2.1119 15.46059       3.348221 
1 1 1 14 15 3  o 278.141 1.9146 772.211  7.5154  287.155 2.7544 269.127 2.6600 18.02768       3.829126 
1 1 1 14 15 5  o 229.815 2.0464 529.746  6.5648  226.491 3.1607 233.139 2.6001 -6.647751      4.092784 
1 1 1 14 15 7  o 263.033 2.1154 692.536  7.8244  264.094 2.7981 261.972 3.1734 2.122040       4.230858 
1 1 1 14 15 9  o 411.394 2.9393 1693.40  16.961  412.757 4.4479 410.030 3.8438 2.726318       5.878657 
1 1 1 14 15 11 o 230.360 1.8535 530.307  6.0097  228.074 2.4807 232.646 2.7545 -4.572601      3.706903 
1 1 1 14 15 13 o 205.768 1.9971 425.249  5.6537  208.673 2.4070 202.862 3.1874 5.811920       3.994127 
1 1 1 14 15 15 o 317.761 2.2618 1010.81  10.158  319.129 3.1297 316.394 3.2662 2.735138       4.523600 
1 1 1 14 15 17 o 347.097 2.4176 1206.62  11.861  348.187 3.3493 346.008 3.4872 2.179077       4.835154 
1 1 1 14 15 19 o 396.332 2.8132 1573.59  15.135  396.439 4.5727 396.225 3.2784 0.2141113      5.626482 
1 1 1 14 15 21 o 160.628 1.7850 252.864  3.6815  167.182 3.0389 154.073 1.8735 13.10881       3.569995 
1 1 1 14 15 23 o 143.273 1.7711 202.503  3.2006  147.018 3.0630 139.528 1.7792 7.489868       3.542220 
1 1 1 14 15 25 o 48.185  3.3875 24.358   1.5984  45.881  6.4173 50.488  2.1726 -4.606869      6.775094 
1 1 1 14 15 27 o 89.695  2.7970 80.060   3.4072  87.225  3.3094 92.166  4.5100 -4.940979      5.593983 
1 1 1 14 15 29 o 173.999 2.4392 303.834  5.6623  174.101 2.7191 173.898 4.0503 0.2029724      4.878372 
1 1 1 14 15 31 o 59.266  4.1361 36.282   3.3356  63.065  4.7603 55.468  6.7654 7.597572       8.272282 
1 1 1 14 15 33 o 21.403  6.0950 -0.0906  2.9697  14.136  6.6653 28.671  10.206 -14.53539      12.18997 
1 1 1 14 15 35 o 75.451  3.7888 59.193   3.8715  80.596  4.2979 70.305  6.2409 10.29071       7.577618 
1 1 1 14 15 37 o 22.445  6.6817 1.6674   3.6003  22.525  9.1007 22.366  9.7854 0.1583862      13.36331 
1 1 1 14 15 39 o 47.777  5.8643 25.435   3.7608  47.452  6.9349 48.102  9.4586 -0.6496849     11.72852 
1 1 1 14 15 41 o 18.923  6.1907 -4.4380  3.7035  13.592  6.6783 24.253  10.426 -10.66041      12.38140 
1 1 1 14 15 43 f 20.723  6.4437 2.4433   3.7178  21.509  9.0335 19.937  9.1914 1.571722       12.88744 
1 1 1 14 15 45 o 22.305  6.5624 6.4117   3.4232  20.666  8.8274 23.943  9.7128 -3.276304      13.12479 
1 1 1 14 16 0  o 160.266 2.1623 257.024  6.9279  160.266 2.1623 ?       ?      0.000000       0.000000 
1 1 1 14 16 2  o 106.873 1.3965 114.386  2.1068  104.279 2.0484 109.466 1.8986 -5.186546      2.793010 
1 1 1 14 16 4  o 124.875 1.5873 156.056  2.7997  120.599 2.2978 129.151 2.1904 -8.552185      3.174548 
1 1 1 14 16 6  o 149.425 1.5986 223.355  3.3771  146.721 2.2822 152.129 2.2390 -5.408249      3.197137 
1 1 1 14 16 8  o 247.255 2.0449 612.558  7.1102  244.294 3.0722 250.216 2.6995 -5.922333      4.089737 
1 1 1 14 16 10 o 18.781  4.7301 3.0084   1.5871  19.253  6.6509 18.309  6.7275 0.9442520      9.460104 
1 1 1 14 16 12 o 103.307 1.8249 107.567  2.5884  106.136 2.1758 100.478 2.9303 5.657906       3.649784 
1 1 1 14 16 14 o 285.892 1.9990 817.710  8.0788  288.795 2.8587 282.989 2.7949 5.806244       3.997954 
1 1 1 14 16 16 o 234.165 1.8296 547.041  6.0349  241.646 2.6758 226.684 2.4959 14.96233       3.659156 
1 1 1 14 16 18 o 112.445 1.5973 126.465  2.5389  114.086 2.2772 110.803 2.2404 3.282539       3.194558 
1 1 1 14 16 20 o 86.106  2.0262 73.695   2.1291  87.081  3.5800 85.131  1.8988 1.950142       4.052444 
1 1 1 14 16 22 f 135.145 1.7690 185.689  3.1267  130.353 3.0117 139.937 1.8565 -9.583450      3.537902 
1 1 1 14 16 24 o 125.620 1.9651 160.753  3.2685  120.274 3.3120 130.965 2.1159 -10.69128      3.930247 
1 1 1 14 16 26 o 100.873 2.4607 101.316  3.4067  98.180  2.9989 103.565 3.9022 -5.384705      4.921413 
1 1 1 14 16 28 o 24.575  6.4931 4.7253   2.9716  23.735  8.4613 25.415  9.8513 -1.679796      12.98619 
1 1 1 14 16 30 o 68.594  3.1060 47.483   2.9843  68.891  4.0225 68.296  4.7338 0.5950394      6.212022 
1 1 1 14 16 32 o 20.123  6.1702 -0.3808  3.1682  19.389  8.1279 20.858  9.2856 -1.469273      12.34033 
1 1 1 14 16 34 o 27.364  6.7499 7.2671   3.1825  27.265  8.9674 27.462  10.091 -0.1970253     13.49983 
1 1 1 14 16 36 o 41.557  6.3425 19.237   3.6003  44.006  7.2155 39.108  10.433 4.898560       12.68492 
1 1 1 14 16 38 o 23.142  6.3274 4.5914   2.9160  21.701  8.4703 24.582  9.4020 -2.880289      12.65477 
1 1 1 14 16 40 o 18.156  6.0112 -3.9902  3.5606  15.152  7.1915 21.160  9.6343 -6.007898      12.02231 
1 1 1 14 16 42 o 23.739  7.0852 5.6786   4.1367  24.858  10.044 22.620  9.9957 2.237452       14.17032 
1 1 1 14 16 44 o 17.164  5.9607 -7.6880  4.3780  12.928  6.5050 21.400  9.9901 -8.472057      11.92131 
1 1 1 14 17 1  o 326.533 2.2785 1066.53  10.469  325.345 3.0344 327.722 3.3999 -2.376770      4.557089 
1 1 1 14 17 3  o 353.642 2.2686 1251.56  11.343  353.247 3.2523 354.037 3.1635 -0.7900696     4.537129 
1 1 1 14 17 5  o 281.737 2.1224 791.377  8.4057  273.749 2.8471 289.724 3.1484 -15.97495      4.244805 
1 1 1 14 17 7  f 275.568 2.2697 760.118  8.6382  275.352 3.5853 275.784 2.7842 -0.4315796     4.539409 
1 1 1 14 17 9  o 215.914 1.8254 466.143  5.5591  217.566 2.6801 214.262 2.4789 3.304367       3.650733 
1 1 1 14 17 11 o 300.508 2.4021 904.572  10.166  302.396 3.2074 298.619 3.5766 3.776550       4.804122 
1 1 1 14 17 13 o 174.209 1.6175 303.652  3.9802  174.013 2.2229 174.405 2.3503 -0.3915863     3.234946 
1 1 1 14 17 15 o 61.600  2.1023 38.186   1.8144  63.993  2.7065 59.207  3.2178 4.786407       4.204700 
1 1 1 14 17 17 o 175.838 1.6834 309.093  4.1758  173.432 2.2969 178.244 2.4616 -4.812439      3.366770 
1 1 1 14 17 19 o 172.389 1.6331 296.572  3.9701  178.443 2.3618 166.335 2.2560 12.10732       3.266168 
1 1 1 14 17 21 f 248.752 2.0647 621.666  7.1704  244.358 3.1895 253.146 2.6227 -8.787888      4.129349 
1 1 1 14 17 23 o 225.107 1.9312 511.330  5.9827  218.676 3.0889 231.538 2.3189 -12.86205      3.862448 
1 1 1 14 17 25 o 158.266 1.9730 251.583  4.3504  156.501 3.0618 160.032 2.4892 -3.530502      3.946000 
1 1 1 14 17 27 o 64.576  3.8504 41.351   3.4270  60.380  4.8764 68.773  5.9602 -8.393230      7.700840 
1 1 1 14 17 29 f 73.958  3.6057 55.940   3.5458  76.250  3.9371 71.665  6.0419 4.585098       7.211471 
1 1 1 14 17 31 o 24.489  6.6160 3.8594   3.1022  18.699  7.8991 30.279  10.616 -11.57957      13.23199 
1 1 1 14 17 33 o 57.952  4.8380 33.896   3.7085  55.417  5.4173 60.488  8.0173 -5.071133      9.675978 
1 1 1 14 17 35 o 34.570  7.1003 13.430   3.5650  33.488  8.8356 35.652  11.117 -2.164101      14.20057 
1 1 1 14 17 37 o 60.570  4.3027 37.598   3.6047  52.275  5.9637 68.865  6.2037 -16.58976      8.605373 
1 1 1 14 17 39 o 32.817  7.5747 13.341   3.9019  30.185  9.6589 35.449  11.671 -5.264366      15.14939 
1 1 1 14 17 41 o 27.889  6.6608 9.9862   3.3941  32.468  9.0755 23.311  9.7519 9.156719       13.32160 
1 1 1 14 17 43 o 27.741  7.2073 12.099   3.8355  29.896  9.2759 25.586  11.034 4.309643       14.41470 
1 1 1 14 18 0  o 527.401 4.6202 2784.54  48.726  527.401 4.6202 ?       ?      0.000000       0.000000 
1 1 1 14 18 2  o 252.100 1.8703 635.894  6.6680  253.325 2.6436 250.876 2.6464 2.449066       3.740620 
1 1 1 14 18 4  o 200.708 1.6485 403.139  4.6735  201.817 2.2599 199.598 2.4007 2.219315       3.297052 
1 1 1 14 18 6  o 404.416 2.9631 1637.93  16.852  404.479 4.4390 404.353 3.9264 0.1254578      5.926292 
1 1 1 14 18 8  o 536.414 3.3484 2882.86  25.397  541.576 4.7544 531.252 4.7164 10.32343       6.696890 
1 1 1 14 18 10 o 195.647 1.8500 384.319  5.0385  198.891 2.3222 192.403 2.8806 6.488678       3.700019 
1 1 1 14 18 12 o 88.849  1.6105 78.974   2.0190  84.237  2.3302 93.461  2.2238 -9.223373      3.221027 
1 1 1 14 18 14 o 190.345 1.6416 362.559  4.4118  190.341 2.3962 190.349 2.2444 -0.8468628E-02 3.283115 
1 1 1 14 18 16 o 234.088 1.9269 548.359  6.3762  230.986 2.6993 237.189 2.7504 -6.203003      3.853740 
1 1 1 14 18 18 o 360.276 2.5156 1299.13  12.791  355.084 3.4469 365.468 3.6649 -10.38391      5.031107 
1 1 1 14 18 20 o 268.190 2.0549 720.348  7.7934  265.836 2.9101 270.544 2.9022 -4.708130      4.109896 
1 1 1 14 18 22 o 135.906 1.8216 185.694  3.3281  134.487 3.0049 137.326 2.0600 -2.838272      3.643237 
1 1 1 14 18 24 o 151.261 1.7329 231.177  3.5629  147.046 2.8268 155.477 2.0051 -8.431290      3.465767 
1 1 1 14 18 26 o 54.079  4.3898 27.851   3.0751  47.389  4.9949 60.769  7.2202 -13.37996      8.779534 
1 1 1 14 18 28 o 33.453  6.6826 11.294   3.1803  27.233  8.5669 39.673  10.259 -12.44000      13.36521 
1 1 1 14 18 30 o 54.776  4.4914 30.503   3.3860  53.342  5.5197 56.210  7.0869 -2.867462      8.982821 
1 1 1 14 18 32 o 22.178  6.7308 0.5703   3.5961  20.469  8.5684 23.886  10.383 -3.417351      13.46165 
1 1 1 14 18 34 o 112.558 2.8274 127.311  4.1582  110.047 3.0428 115.068 4.7663 -5.021400      5.654777 
1 1 1 14 18 36 o 19.330  6.2146 -4.3134  3.8301  20.142  8.6378 18.519  8.9372 1.622545       12.42919 
1 1 1 14 18 38 o 27.239  7.3850 7.9471   3.8128  25.716  9.3530 28.762  11.431 -3.046873      14.77000 
1 1 1 14 18 40 o 22.537  6.8646 3.5096   3.9956  19.657  8.9004 25.416  10.453 -5.758789      13.72912 
1 1 1 14 18 42 o 28.893  7.2238 12.422   3.6507  27.244  9.6387 30.542  10.762 -3.297329      14.44754 
1 1 1 14 19 1  o 25.142  5.4824 6.0252   2.2043  20.493  7.5224 29.792  7.9775 -9.299852      10.96478 
1 1 1 14 19 3  o 113.060 1.5670 126.249  2.4712  120.968 2.3385 105.152 2.0863 15.81618       3.133940 
1 1 1 14 19 5  o 230.629 1.9101 531.256  6.1352  232.826 2.9508 228.432 2.4262 4.393799       3.820157 
1 1 1 14 19 7  o 220.662 1.8073 487.995  5.6252  225.114 2.4363 216.210 2.6702 8.904221       3.614657 
1 1 1 14 19 9  o 87.104  2.0633 75.810   2.5284  85.718  2.7614 88.489  3.0664 -2.770325      4.126514 
1 1 1 14 19 11 o 298.031 2.2055 889.239  9.2917  298.644 3.1704 297.418 3.0670 1.226288       4.411057 
1 1 1 14 19 13 o 147.018 1.5971 216.358  3.3194  145.662 2.2988 148.373 2.2179 -2.711487      3.194287 
1 1 1 14 19 15 o 220.924 1.7554 488.222  5.4791  218.304 2.4330 223.544 2.5309 -5.239838      3.510733 
1 1 1 14 19 17 o 151.834 1.6270 230.782  3.4926  152.881 2.2658 150.787 2.3355 2.093552       3.253981 
1 1 1 14 19 19 o 278.879 2.0640 778.650  8.1337  276.066 2.8650 281.691 2.9718 -5.625458      4.127911 
1 1 1 14 19 21 o 182.580 1.6767 333.239  4.3176  178.783 2.2927 186.376 2.4471 -7.592300      3.353352 
1 1 1 14 19 23 o 92.417  2.4251 87.057   2.5776  90.291  4.4119 94.542  2.0152 -4.250099      4.850291 
1 1 1 14 19 25 f 60.903  3.4124 38.499   2.1443  58.657  6.3975 63.148  2.3770 -4.490635      6.824826 
1 1 1 14 19 27 o 28.148  6.5606 7.8015   3.0424  25.155  8.9330 31.142  9.6110 -5.986631      13.12130 
1 1 1 14 19 29 o 39.977  6.1276 17.930   3.3650  47.374  6.2151 32.580  10.562 14.79427       12.25513 
1 1 1 14 19 31 o 16.723  5.5410 -5.0773  3.0416  14.805  6.8944 18.640  8.6762 -3.834686      11.08190 
1 1 1 14 19 33 o 40.290  6.9162 18.215   3.6804  40.436  7.5619 40.143  11.582 0.2922058      13.83237 
1 1 1 14 19 35 o 34.051  7.4065 12.918   3.6804  29.173  9.1088 38.928  11.681 -9.754978      14.81304 
1 1 1 14 19 37 o 53.197  5.2858 30.935   3.8999  49.864  6.8310 56.529  8.0682 -6.664906      10.57155 
1 1 1 14 19 39 o 26.014  7.1082 7.6078   3.8488  20.352  8.9183 31.675  11.071 -11.32350      14.21632 
1 1 1 14 19 41 o 20.810  6.5990 2.3674   3.9025  19.705  8.6954 21.915  9.9285 -2.210344      13.19792 
1 1 1 14 20 0  o 8.9760  6.3447 -4.3877  4.2722  8.9760  6.3447 ?       ?      0.000000       0.000000 
1 1 1 14 20 2  o 72.334  2.1247 52.538   2.1646  75.408  2.8327 69.260  3.1675 6.147858       4.249385 
1 1 1 14 20 4  o 102.565 1.5544 105.361  2.2516  99.441  2.2642 105.689 2.1304 -6.248009      3.108870 
1 1 1 14 20 6  o 229.132 1.9336 524.951  6.2479  226.371 2.6268 231.892 2.8382 -5.520859      3.867234 
1 1 1 14 20 8  o 176.229 1.7485 309.424  4.2368  173.415 2.1306 179.043 2.7731 -5.628082      3.497072 
1 1 1 14 20 10 o 57.836  2.3693 33.815   1.8772  59.794  2.8000 55.878  3.8228 3.915375       4.738530 
1 1 1 14 20 12 o 153.509 1.7202 236.317  3.7181  156.579 2.2860 150.439 2.5712 6.140625       3.440466 
1 1 1 14 20 14 o 95.714  1.7912 91.656   2.4234  97.491  2.5464 93.937  2.5198 3.554115       3.582363 
1 1 1 14 20 16 o 94.709  1.7905 89.869   2.3955  96.356  2.4565 93.062  2.6055 3.294395       3.580963 
1 1 1 14 20 18 o 185.434 1.7525 344.596  4.5852  187.357 2.3727 183.511 2.5797 3.845627       3.504924 
1 1 1 14 20 20 o 148.826 1.7965 221.780  3.7795  150.915 2.5631 146.737 2.5180 4.177582       3.593020 
1 1 1 14 20 22 o 50.758  2.6508 26.139   1.8723  54.179  3.3033 47.337  4.1467 6.842297       5.301555 
1 1 1 14 20 24 o 46.578  3.8009 19.965   2.0475  52.330  6.7297 40.826  3.5352 11.50354       7.601782 
1 1 1 14 20 26 o 29.012  4.8467 9.4499   2.0419  21.756  8.6080 36.268  4.4571 -14.51231      9.693448 
1 1 1 14 20 28 o 29.656  7.0840 8.8141   3.5415  30.821  9.3232 28.490  10.668 2.330679       14.16809 
1 1 1 14 20 30 o 71.434  3.4975 50.475   3.4470  62.942  4.6778 79.926  5.2007 -16.98387      6.994958 
1 1 1 14 20 32 o 37.295  6.6832 15.928   3.5064  40.509  7.6891 34.081  10.933 6.427986       13.36633 
1 1 1 14 20 34 o 38.336  6.6563 17.450   3.6475  44.953  6.5499 31.719  11.590 13.23394       13.31254 
1 1 1 14 20 36 o 24.896  6.9398 5.6676   3.6054  25.463  9.2655 24.328  10.334 1.135057       13.87957 
1 1 1 14 20 38 o 17.924  5.9638 -3.6259  3.7983  16.616  7.8073 19.233  9.0175 -2.617376      11.92767 
1 1 1 14 20 40 o 17.182  5.9042 -7.5582  4.3553  16.308  7.8157 18.056  8.8518 -1.747576      11.80846 
1 1 1 14 21 1  o 18.143  5.1371 1.4713   2.0190  16.725  6.9981 19.561  7.5222 -2.836184      10.27415 
1 1 1 14 21 3  o 141.390 1.8177 199.692  3.5415  140.345 2.2213 142.435 2.8778 -2.089767      3.635390 
1 1 1 14 21 5  o 182.653 1.7694 333.960  4.5426  182.822 2.3368 182.485 2.6575 0.3368988      3.538776 
1 1 1 14 21 7  o 129.276 1.8833 166.666  3.3941  126.813 2.4129 131.739 2.8923 -4.926643      3.766619 
1 1 1 14 21 9  o 131.366 1.6474 172.735  3.0598  132.992 2.3008 129.740 2.3584 3.252151       3.294787 
1 1 1 14 21 11 o 163.242 1.7155 266.759  3.9443  163.462 2.2957 163.022 2.5498 0.4396515      3.430995 
1 1 1 14 21 13 o 77.421  2.0406 60.259   2.2193  80.072  2.6677 74.769  3.0886 5.303421       4.081165 
1 1 1 14 21 15 o 152.809 1.6366 234.404  3.5132  156.349 2.1417 149.268 2.4753 7.080612       3.273215 
1 1 1 14 21 17 o 71.333  2.2630 50.861   2.2625  69.973  2.9702 72.692  3.4151 -2.718903      4.526026 
1 1 1 14 21 19 o 49.829  2.7864 24.650   1.9204  47.486  3.5257 52.171  4.3157 -4.684296      5.572818 
1 1 1 14 21 21 o 129.215 1.8181 167.337  3.3194  133.056 2.5166 125.375 2.6247 7.680641       3.636259 
1 1 1 14 21 23 o 178.872 1.8827 320.742  4.7613  180.929 2.6803 176.816 2.6447 4.113373       3.765483 
1 1 1 14 21 25 o 100.710 2.0330 102.910  2.6688  98.303  3.4650 103.117 2.1275 -4.813934      4.066043 
1 1 1 14 21 27 o 103.685 4.2915 109.796  6.1808  104.655 6.6749 102.715 5.3958 1.939644       8.583077 
1 1 1 14 21 29 o 65.082  4.2927 42.698   3.7594  62.310  5.0033 67.854  6.9768 -5.543964      8.585363 
1 1 1 14 21 31 o 94.880  3.1941 90.196   4.0967  89.790  3.7935 99.969  5.1398 -10.17893      6.388105 
1 1 1 14 21 33 o 34.459  7.0040 13.838   3.5864  37.333  7.9669 31.585  11.522 5.747461       14.00796 
1 1 1 14 21 35 o 17.423  5.7456 -4.3488  3.4057  15.452  7.3644 19.395  8.8211 -3.943695      11.49116 
1 1 1 14 21 37 o 20.156  6.4734 0.6062   3.6804  17.647  7.9425 22.664  10.224 -5.017664      12.94686 
1 1 1 14 21 39 o 18.894  6.3469 -3.2505  4.4373  17.303  8.1974 20.484  9.6921 -3.181192      12.69390 
1 1 1 14 22 0  o 365.039 3.9391 1334.54  28.751  365.039 3.9391 ?       ?      0.000000       0.000000 
1 1 1 14 22 2  o 215.804 1.9579 466.234  5.9752  215.216 2.7630 216.391 2.7747 -1.174728      3.915741 
1 1 1 14 22 4  o 42.955  3.5437 18.756   2.1068  48.463  4.4076 37.447  5.5502 11.01673       7.087444 
1 1 1 14 22 6  o 74.845  2.2361 56.074   2.3656  75.999  3.1905 73.690  3.1338 2.308540       4.472127 
1 1 1 14 22 8  o 101.162 1.6954 102.182  2.4124  99.143  2.2710 103.181 2.5179 -4.038284      3.390755 
1 1 1 14 22 10 o 64.350  2.4107 41.434   2.1878  63.236  3.2867 65.464  3.5276 -2.228546      4.821422 
1 1 1 14 22 12 o 58.301  2.8327 33.805   2.3093  55.449  3.7482 61.153  4.2483 -5.703529      5.665425 
1 1 1 14 22 14 o 38.720  3.7004 15.287   1.9880  41.787  4.5592 35.652  5.8296 6.135078       7.400702 
1 1 1 14 22 16 o 29.870  5.0683 9.1342   2.0799  25.504  6.8648 34.236  7.4584 -8.732231      10.13670 
1 1 1 14 22 18 o 104.725 1.9318 109.961  2.8575  101.089 2.7984 108.362 2.6639 -7.272362      3.863586 
1 1 1 14 22 20 o 170.950 1.7797 292.760  4.2962  170.455 2.4386 171.445 2.5929 -0.9905243     3.559479 
1 1 1 14 22 22 o 125.267 1.8650 157.755  3.2816  127.706 2.4412 122.829 2.8201 4.877472       3.729956 
1 1 1 14 22 24 o 152.371 1.8191 233.274  3.8608  153.332 2.2968 151.410 2.8216 1.922607       3.638215 
1 1 1 14 22 26 o 63.205  2.3986 38.848   1.8980  66.987  4.1369 59.423  2.4289 7.564068       4.797198 
1 1 1 14 22 28 o 107.012 3.2496 117.494  4.4799  109.717 3.3150 104.308 5.5901 5.409012       6.499155 
1 1 1 14 22 30 o 71.933  5.2058 56.337   4.4683  76.807  4.5099 67.058  9.3841 9.749222       10.41156 
1 1 1 14 22 32 o 43.438  6.7806 23.041   3.7885  51.199  5.7508 35.676  12.282 15.52301       13.56127 
1 1 1 14 22 34 o 56.688  5.2159 34.423   3.8969  53.137  5.8670 60.238  8.6256 -7.101559      10.43179 
1 1 1 14 22 36 o 19.685  6.3751 -0.7210  3.9524  18.631  8.4928 20.739  9.5099 -2.108034      12.75015 
1 1 1 14 22 38 o 19.119  6.2492 -0.6024  3.9158  18.574  8.4551 19.664  9.2044 -1.089577      12.49836 
1 1 1 14 23 1  o 357.121 2.4690 1277.68  12.466  353.255 3.4647 360.987 3.5184 -7.731812      4.937973 
1 1 1 14 23 3  o 290.936 2.2120 847.088  9.0598  293.426 3.2858 288.447 2.9622 4.979523       4.423902 
1 1 1 14 23 5  o 211.445 1.9094 442.058  5.5071  219.846 3.0462 203.044 2.3031 16.80147       3.818851 
1 1 1 14 23 7  o 74.991  2.0410 56.254   2.1615  76.526  2.9422 73.455  2.8294 3.070137       4.081952 
1 1 1 14 23 9  o 121.056 1.7881 146.559  3.0500  122.477 2.6397 119.634 2.4129 2.843666       3.576293 
1 1 1 14 23 11 o 114.789 1.8893 132.197  3.0555  116.683 2.5234 112.896 2.8126 3.787277       3.778620 
1 1 1 14 23 13 o 93.099  2.0615 86.887   2.7134  94.432  2.8734 91.765  2.9569 2.666519       4.123079 
1 1 1 14 23 15 o 86.518  2.0318 75.108   2.4811  85.112  2.9846 87.924  2.7578 -2.812210      4.063628 
1 1 1 14 23 17 o 91.925  1.9526 84.364   2.5284  88.390  2.6779 95.460  2.8425 -7.069916      3.905259 
1 1 1 14 23 19 o 28.977  5.4412 8.5877   2.2573  24.023  7.4246 33.931  7.9562 -9.908548      10.88241 
1 1 1 14 23 21 o 87.425  2.2319 76.744   2.7055  87.273  2.7784 87.577  3.4938 -0.3041916     4.463876 
1 1 1 14 23 23 o 90.795  1.9342 82.219   2.4489  87.598  2.5044 93.991  2.9483 -6.393578      3.868415 
1 1 1 14 23 25 o 88.545  2.1199 78.606   2.4697  88.002  2.2961 89.088  3.5642 -1.085266      4.239786 
1 1 1 14 23 27 o 13.144  4.3876 -3.5363  1.8413  14.469  6.9745 11.818  5.3257 2.650811       8.775293 
1 1 1 14 23 29 o 33.366  7.3052 12.210   3.7045  29.477  9.4935 37.256  11.106 -7.779453      14.61035 
1 1 1 14 23 31 o 22.512  7.0588 -0.0770  4.0220  18.138  8.2012 26.886  11.491 -8.747412      14.11751 
1 1 1 14 23 33 o 39.684  6.5188 18.177   3.4823  32.819  8.6663 46.550  9.7404 -13.73091      13.03766 
1 1 1 14 23 35 o 24.212  6.9088 5.9275   3.7707  20.241  8.9536 28.183  10.524 -7.942442      13.81754 
1 1 1 14 23 37 o 29.856  7.0962 13.047   3.6804  32.839  8.7896 26.872  11.143 5.967354       14.19232 
1 1 1 14 24 0  o 147.846 2.5399 218.921  7.5052  147.846 2.5399 ?       ?      0.000000       0.000000 
1 1 1 14 24 2  o 85.976  2.0522 74.335   2.4811  82.246  3.0886 89.706  2.7030 -7.460503      4.104324 
1 1 1 14 24 4  o 45.190  3.6476 20.668   2.3093  41.613  5.5494 48.767  4.7353 -7.154202      7.295149 
1 1 1 14 24 6  o 12.121  4.1879 -8.1114  2.2573  13.310  6.4441 10.933  5.3505 2.377234       8.375837 
1 1 1 14 24 8  o 67.281  2.6740 45.400   2.5284  66.912  3.5375 67.651  4.0109 -0.7387466     5.348043 
1 1 1 14 24 10 o 78.739  2.2813 62.158   2.5389  78.194  3.1748 79.283  3.2768 -1.089607      4.562533 
1 1 1 14 24 12 o 91.826  2.1552 84.356   2.7926  88.884  2.9878 94.769  3.1069 -5.884369      4.310412 
1 1 1 14 24 14 o 71.692  2.2480 51.275   2.2625  69.052  3.0098 74.331  3.3398 -5.279076      4.495909 
1 1 1 14 24 16 o 156.829 1.8934 246.007  4.1408  155.119 2.4192 158.539 2.9132 -3.419998      3.786711 
1 1 1 14 24 18 o 168.929 1.8182 285.807  4.2922  167.794 2.3397 170.065 2.7837 -2.271027      3.636318 
1 1 1 14 24 20 o 91.943  2.0907 84.991   2.7085  92.808  2.7993 91.077  3.1060 1.730705       4.181310 
1 1 1 14 24 22 o 60.529  2.5473 36.796   2.1184  59.743  3.0923 61.315  4.0487 -1.572128      5.094581 
1 1 1 14 24 24 o 44.016  4.0799 20.992   2.1035  48.232  3.4712 39.800  7.3846 8.432095       8.159730 
1 1 1 14 24 26 o 19.477  5.3010 2.7474   1.9328  18.430  6.5109 20.523  8.3673 -2.093262      10.60204 
1 1 1 14 24 28 o 33.845  6.9798 10.700   2.1169  36.640  13.347 31.051  4.0904 5.589094       13.95954 
1 1 1 14 24 30 o 17.062  5.5766 -5.8640  3.1959  12.788  6.2979 21.336  9.2050 -8.547512      11.15329 
1 1 1 14 24 32 o 42.462  6.4268 23.309   3.6028  52.462  5.5023 32.462  11.616 19.99945       12.85357 
1 1 1 14 24 34 o 21.547  6.6847 2.6988   3.7638  19.355  8.5424 23.739  10.284 -4.383755      13.36931 
1 1 1 14 24 36 o 22.402  7.0462 3.9157   4.4100  21.990  9.3768 22.814  10.520 -0.8246536     14.09236 
1 1 1 14 25 1  o 64.584  2.6482 42.003   2.3928  57.844  3.9923 71.325  3.4805 -13.48098      5.296463 
1 1 1 14 25 3  o 44.705  3.7933 20.713   2.2963  39.709  6.2518 49.701  4.2979 -9.992168      7.586594 
1 1 1 14 25 5  o 135.258 1.7806 183.227  3.4052  133.662 2.5052 136.855 2.5311 -3.193039      3.561244 
1 1 1 14 25 7  o 153.866 1.7926 237.346  3.8950  155.692 2.4474 152.040 2.6201 3.652313       3.585285 
1 1 1 14 25 9  o 44.120  3.8391 19.684   2.3614  49.533  5.0118 38.707  5.8169 10.82574       7.678228 
1 1 1 14 25 11 o 25.931  5.2562 6.6498   2.1923  31.915  7.2224 19.947  7.6385 11.96832       10.51239 
1 1 1 14 25 13 f 49.460  3.4209 24.825   2.3670  53.662  4.4110 45.258  5.2301 8.404175       6.841784 
1 1 1 14 25 15 o 76.198  2.5337 58.242   2.6692  75.604  3.1308 76.792  3.9845 -1.188240      5.067415 
1 1 1 14 25 17 o 100.836 1.9227 101.961  2.7396  99.130  2.6790 102.543 2.7587 -3.412567      3.845472 
1 1 1 14 25 19 o 145.615 1.8223 212.839  3.7517  145.168 2.5452 146.063 2.6087 -0.8946075     3.644654 
1 1 1 14 25 21 o 143.897 1.9872 207.454  4.0116  140.771 2.6247 147.022 2.9843 -6.251450      3.974362 
1 1 1 14 25 23 o 111.800 2.1653 125.261  3.3436  109.936 2.6782 113.663 3.4031 -3.726845      4.330589 
1 1 1 14 25 25 o 61.650  3.2131 38.477   2.5058  61.041  3.2157 62.260  5.5637 -1.218933      6.426130 
1 1 1 14 25 27 o 46.424  3.3293 21.626   1.9473  44.626  3.3636 48.223  5.7466 -3.596497      6.658608 
1 1 1 14 25 29 o 55.272  2.8328 30.490   1.9614  57.712  4.9018 52.833  2.8411 4.878395       5.665597 
1 1 1 14 25 31 o 54.787  5.1580 32.566   3.7953  51.543  6.0484 58.031  8.3568 -6.487728      10.31598 
1 1 1 14 25 33 o 32.510  7.4957 14.344   3.9225  26.331  9.6818 38.688  11.446 -12.35694      14.99130 
1 1 1 14 25 35 o 17.338  5.7679 -3.2403  3.6549  17.811  8.2361 16.865  8.0773 0.9456882      11.53580 
1 1 1 14 26 0  o 121.728 2.8967 148.603  7.0433  121.728 2.8967 ?       ?      0.000000       0.000000 
1 1 1 14 26 2  o 119.218 1.9213 142.490  3.2237  119.740 2.5554 118.696 2.8697 1.043259       3.842535 
1 1 1 14 26 4  o 97.672  1.9471 95.500   2.6693  96.978  2.5598 98.366  2.9346 -1.387665      3.894165 
1 1 1 14 26 6  o 95.245  2.1443 90.986   2.8866  93.366  3.0917 97.124  2.9721 -3.758102      4.288601 
1 1 1 14 26 8  o 31.846  5.0868 10.744   2.3656  39.274  5.8800 24.419  8.3022 14.85503       10.17350 
1 1 1 14 26 10 o 23.365  6.1700 4.2145   2.7712  24.999  8.8450 21.731  8.6048 3.268604       12.34008 
1 1 1 14 26 12 o 32.367  4.7773 10.909   2.1615  27.636  7.3792 37.097  6.0693 -9.460880      9.554551 
1 1 1 14 26 14 o 51.123  3.8056 26.539   2.7347  51.894  5.0063 50.352  5.7329 1.541546       7.611108 
1 1 1 14 26 16 o 101.217 2.2181 102.829  3.1658  99.222  3.0256 103.211 3.2443 -3.989105      4.436186 
1 1 1 14 26 18 o 32.660  5.3322 11.531   2.4234  35.327  6.9478 29.992  8.0905 5.335089       10.66434 
1 1 1 14 26 20 o 102.226 2.0577 105.099  2.9729  103.530 2.8440 100.922 2.9747 2.608398       4.115419 
1 1 1 14 26 22 o 82.185  2.4515 68.146   2.7865  82.103  3.0236 82.267  3.8597 -0.1638565     4.903045 
1 1 1 14 26 24 o 55.753  3.6000 31.850   2.5524  55.866  3.6169 55.640  6.2256 0.2257347      7.200059 
1 1 1 14 26 26 o 49.905  3.7128 25.387   2.3975  48.510  3.9273 51.301  6.3021 -2.790195      7.425656 
1 1 1 14 26 28 o 30.786  5.0238 10.469   1.9244  31.834  4.5339 29.737  8.9665 2.096546       10.04757 
1 1 1 14 26 30 o 42.712  5.9187 22.105   3.4630  50.660  6.7237 34.764  9.7426 15.89599       11.83749 
1 1 1 14 26 32 o 28.219  7.1395 10.645   3.7348  30.542  9.2361 25.896  10.890 4.645397       14.27904 
1 1 1 14 26 34 o 17.070  5.7965 -5.2248  3.8969  16.319  7.6422 17.820  8.7175 -1.501198      11.59302 
1 1 1 14 27 1  o 34.382  5.4170 12.536   2.5688  33.304  7.9081 35.459  7.4051 -2.155457      10.83393 
1 1 1 14 27 3  o 143.515 1.8496 206.452  3.7517  139.639 2.6460 147.392 2.5852 -7.752991      3.699261 
1 1 1 14 27 5  o 167.785 1.7789 282.202  4.2018  167.728 2.6504 167.841 2.3734 -0.1130371     3.557721 
1 1 1 14 27 7  o 168.774 1.8268 285.701  4.3586  166.890 2.6291 170.658 2.5372 -3.768829      3.653676 
1 1 1 14 27 9  o 131.307 1.8809 172.947  3.4926  130.431 2.6558 132.183 2.6642 -1.751862      3.761811 
1 1 1 14 27 11 o 103.841 2.4008 108.190  3.4980  105.488 3.6121 102.194 3.1636 3.293892       4.801614 
1 1 1 14 27 13 o 73.782  2.8341 55.463   2.9152  67.085  4.3890 80.478  3.5868 -13.39321      5.668200 
1 1 1 14 27 15 o 61.640  3.1435 38.151   2.7055  58.828  4.1218 64.453  4.7474 -5.625031      6.287003 
1 1 1 14 27 17 o 47.994  3.5747 23.291   2.4124  44.201  5.0939 51.788  5.0165 -7.587101      7.149394 
1 1 1 14 27 19 o 45.532  4.2470 20.899   2.6739  42.111  5.4838 48.952  6.4865 -6.841408      8.493917 
1 1 1 14 27 21 o 33.609  5.0144 11.771   2.4342  22.483  7.7839 44.735  6.3236 -22.25179      10.02884 
1 1 1 14 27 23 o 29.545  5.1708 9.4527   2.0260  29.402  5.7014 29.687  8.6281 -0.2846203     10.34160 
1 1 1 14 27 25 o 17.065  5.2782 -0.3265  2.3040  16.341  6.7498 17.789  8.1166 -1.447996      10.55649 
1 1 1 14 27 27 o 53.476  3.5637 29.251   2.3093  51.974  3.3324 54.979  6.3005 -3.005566      7.127455 
1 1 1 14 27 29 o 32.714  4.7584 12.316   1.8474  34.329  4.0362 31.100  8.6185 3.229393       9.516782 
1 1 1 14 27 31 o 24.113  7.0811 5.7562   3.5514  17.703  7.8179 30.522  11.809 -12.81923      14.16213 
1 1 1 14 27 33 o 35.836  7.1506 20.452   3.8731  41.158  7.4253 30.514  12.223 10.64432       14.30126 
1 1 1 14 28 0  o 175.486 2.6003 308.637  9.1217  175.486 2.6003 ?       ?      0.000000       0.000000 
1 1 1 14 28 2  o 187.266 1.8422 351.660  4.8741  185.835 2.5475 188.698 2.6618 -2.862762      3.684367 
1 1 1 14 28 4  o 148.222 1.8320 220.421  3.8390  150.847 2.5642 145.596 2.6171 5.251022       3.663905 
1 1 1 14 28 6  o 130.985 1.8691 171.407  3.4399  126.528 2.5095 135.442 2.7706 -8.913147      3.738210 
1 1 1 14 28 8  o 68.219  3.2992 47.168   3.1711  67.005  4.9112 69.434  4.4068 -2.428795      6.598480 
1 1 1 14 28 10 o 136.593 1.9876 187.192  3.8286  134.387 2.7065 138.799 2.9116 -4.411774      3.975222 
1 1 1 14 28 12 o 80.037  2.4799 64.686   2.7973  78.322  3.6856 81.752  3.3191 -3.429886      4.959819 
1 1 1 14 28 14 o 97.897  2.4798 96.311   3.4232  94.551  3.4193 101.243 3.5925 -6.691803      4.959623 
1 1 1 14 28 16 o 104.903 2.2629 110.862  3.3325  105.065 2.9672 104.741 3.4174 0.3247223      4.525828 
1 1 1 14 28 18 o 67.557  3.0648 46.364   2.8923  67.694  3.9231 67.420  4.7097 0.2737656      6.129583 
1 1 1 14 28 20 o 40.856  5.0079 18.614   2.7085  28.319  8.4998 53.392  5.2983 -25.07289      10.01589 
1 1 1 14 28 22 o 24.848  6.5290 5.4552   2.7810  19.773  7.6214 29.923  10.603 -10.15040      13.05790 
1 1 1 14 28 24 o 26.103  5.7963 7.5244   2.4132  28.386  6.7924 23.820  9.3943 4.566685       11.59263 
1 1 1 14 28 26 o 47.994  4.2380 24.965   2.5058  49.835  3.9388 46.153  7.5053 3.681973       8.476088 
1 1 1 14 28 28 o 20.650  5.6741 3.4200   2.1925  14.358  6.2461 26.943  9.4745 -12.58521      11.34818 
1 1 1 14 28 30 o 19.282  5.8632 2.5597   2.8512  19.609  8.6688 18.956  7.8969 0.6534710      11.72643 
1 1 1 14 28 32 o 20.466  6.4840 3.8965   3.8370  19.192  8.6596 21.739  9.6531 -2.546215      12.96808 
1 1 1 14 29 1  o 27.768  5.8384 8.0618   2.5610  31.420  7.7543 24.116  8.7302 7.303852       11.67674 
1 1 1 14 29 3  o 36.401  6.1148 14.381   3.1440  41.523  8.0742 31.278  9.1854 10.24523       12.22963 
1 1 1 14 29 5  o 56.628  3.3154 32.456   2.6507  54.521  4.6592 58.734  4.7181 -4.212990      6.630871 
1 1 1 14 29 7  o 30.321  5.7782 9.6487   2.7085  37.506  7.8011 23.137  8.5260 14.36907       11.55636 
1 1 1 14 29 9  f 33.317  5.4749 11.678   2.4562  30.457  6.9712 36.178  8.4439 -5.720568      10.94978 
1 1 1 14 29 11 o 21.701  5.5999 2.5999   2.5662  16.437  7.4610 26.966  8.3528 -10.52856      11.19981 
1 1 1 14 29 13 o 93.293  2.4712 87.462   3.2412  90.235  3.3270 96.350  3.6551 -6.114815      4.942492 
1 1 1 14 29 15 f 107.819 2.5988 116.587  3.8786  104.213 3.2685 111.426 4.0414 -7.212639      5.197672 
1 1 1 14 29 17 o 72.482  2.7306 52.949   2.7640  69.505  3.5717 75.460  4.1314 -5.954918      5.461248 
1 1 1 14 29 19 o 73.319  2.7788 54.259   2.8450  68.854  3.6893 77.784  4.1564 -8.929871      5.557559 
1 1 1 14 29 21 o 96.146  2.3148 93.607   3.1250  93.871  3.0751 98.420  3.4609 -4.548401      4.629674 
1 1 1 14 29 23 o 45.537  5.1378 21.813   2.8352  42.087  5.0754 48.986  8.9346 -6.899384      10.27553 
1 1 1 14 29 25 o 28.672  6.4123 10.011   2.7450  28.882  7.2105 28.461  10.606 0.4211235      12.82461 
1 1 1 14 29 27 o 27.157  6.0614 9.1552   2.4906  27.041  7.1490 27.272  9.7904 -0.2307301     12.12274 
1 1 1 14 29 29 o 19.181  5.3184 3.3147   2.1291  20.105  6.7787 18.257  8.1969 1.848206       10.63674 
1 1 1 14 29 31 o 24.320  5.9909 8.1269   2.4869  23.852  9.3383 24.789  7.5074 -0.9371376     11.98187 
1 1 1 14 30 0  o 95.450  3.7016 91.910   7.0433  95.450  3.7016 ?       ?      0.000000       0.000000 
1 1 1 14 30 2  o 148.739 2.0780 222.219  4.3265  149.543 3.1657 147.934 2.6928 1.608246       4.156024 
1 1 1 14 30 4  o 168.031 1.9316 283.659  4.5895  166.249 2.7434 169.812 2.7198 -3.563370      3.863106 
1 1 1 14 30 6  o 195.534 2.1001 384.305  5.7847  194.429 2.8209 196.639 3.1121 -2.209366      4.200294 
1 1 1 14 30 8  f 120.663 1.9357 146.579  3.2745  121.714 2.5139 119.612 2.9442 2.102341       3.871485 
1 1 1 14 30 10 o 24.510  6.3045 5.2502   2.8889  22.948  9.3155 26.072  8.4975 -3.123831      12.60895 
1 1 1 14 30 12 o 30.915  6.6913 10.521   3.2237  32.525  9.0703 29.306  9.8399 3.219099       13.38263 
1 1 1 14 30 14 o 19.824  5.6049 -0.2917  2.7347  13.858  6.6327 25.791  9.0371 -11.93286      11.20989 
1 1 1 14 30 16 o 82.858  2.8146 69.923   3.2816  76.433  4.0788 89.282  3.8798 -12.84904      5.629283 
1 1 1 14 30 18 o 130.973 2.1016 172.681  3.8711  124.361 2.8782 137.584 3.0632 -13.22326      4.203249 
1 1 1 14 30 20 o 89.397  2.6662 81.030   3.3356  81.968  3.6625 96.826  3.8756 -14.85756      5.332364 
1 1 1 14 30 22 o 33.076  5.9786 13.437   2.9542  39.803  5.8018 26.350  10.455 13.45300       11.95728 
1 1 1 14 30 24 o 20.493  5.8416 3.3485   2.7334  22.184  8.0516 18.802  8.4657 3.382732       11.68320 
1 1 1 14 30 26 o 18.925  5.4729 2.4138   2.3263  19.611  6.8814 18.240  8.5123 1.370787       10.94590 
1 1 1 14 30 28 o 20.166  5.6095 4.5510   2.2769  19.354  7.2680 20.978  8.5465 -1.623135      11.21906 
1 1 1 14 31 1  o 162.126 2.1272 264.383  4.8700  158.506 2.9502 165.745 3.0652 -7.238785      4.254346 
1 1 1 14 31 3  o 174.245 2.2948 307.651  5.4621  171.210 3.7092 177.279 2.7030 -6.069855      4.589588 
1 1 1 14 31 5  o 120.766 2.1634 147.016  3.6940  121.492 3.0888 120.040 3.0299 1.451050       4.326774 
1 1 1 14 31 7  o 27.557  6.3985 8.0825   2.8681  27.743  9.4138 27.371  8.6687 0.3725586      12.79709 
1 1 1 14 31 9  o 28.875  6.3701 8.9519   2.9342  25.054  8.8469 32.697  9.1676 -7.643946      12.74019 
1 1 1 14 31 11 o 48.030  4.5904 24.132   3.1175  48.511  6.4265 47.549  6.5565 0.9616013      9.180828 
1 1 1 14 31 13 o 61.987  3.1957 39.447   2.7926  62.551  4.7071 61.423  4.3236 1.127750       6.391449 
1 1 1 14 31 15 o 111.073 2.4618 124.923  3.8370  107.427 3.2782 114.719 3.6737 -7.292267      4.923686 
1 1 1 14 31 17 o 82.635  3.6493 71.630   4.2196  81.541  5.5933 83.730  4.6887 -2.189072      7.298562 
1 1 1 14 31 19 o 59.150  3.8252 37.223   3.0868  60.596  4.4779 57.705  6.2030 2.890911       7.650398 
1 1 1 14 31 21 o 30.926  5.9184 12.336   2.7894  36.215  6.6229 25.636  9.8106 10.57882       11.83685 
1 1 1 14 31 23 o 19.638  6.1045 1.4800   2.9391  15.377  6.9712 23.900  10.023 -8.522797      12.20896 
1 1 1 14 31 25 o 21.242  5.9384 4.9523   2.5123  19.189  7.4925 23.295  9.2152 -4.106201      11.87679 
1 1 1 14 31 27 o 14.613  5.0257 -3.7995  2.7194  12.433  5.9264 16.793  8.1184 -4.359958      10.05145 
1 1 1 14 32 0  o 33.248  11.128 14.779   6.5815  33.248  11.128 ?       ?      0.000000       0.000000 
1 1 1 14 32 2  o 50.981  3.9297 26.657   2.8100  55.886  5.4751 46.076  5.6384 9.809689       7.859303 
1 1 1 14 32 4  o 34.636  6.5324 13.665   3.4553  28.042  10.112 41.231  8.2727 -13.18974      13.06473 
1 1 1 14 32 6  o 47.785  4.2793 23.991   2.8225  46.697  6.7997 48.873  5.1976 -2.176083      8.558671 
1 1 1 14 32 8  o 38.349  6.7741 17.199   3.6624  40.839  8.4820 35.858  10.564 4.980804       13.54814 
1 1 1 14 32 10 o 28.887  6.4246 9.1007   3.1490  33.700  8.5488 24.073  9.5926 9.627373       12.84919 
1 1 1 14 32 12 o 46.977  5.3801 25.171   3.3073  54.608  5.7089 39.345  9.1209 15.26283       10.76027 
1 1 1 14 32 14 o 64.181  3.7139 43.216   3.2997  64.032  4.5982 64.331  5.8333 -0.2985535     7.427730 
1 1 1 14 32 16 o 88.838  2.5937 80.621   3.2412  83.510  3.5949 94.166  3.7398 -10.65623      5.187449 
1 1 1 14 32 18 o 64.749  3.7638 45.439   3.4329  62.744  5.6127 66.755  5.0161 -4.010406      7.527561 
1 1 1 14 32 20 f 34.793  7.1770 16.136   3.6649  29.692  9.3911 39.894  10.856 -10.20261      14.35397 
1 1 1 14 32 22 o 26.709  6.0363 8.6408   2.7140  18.771  7.6970 34.648  9.3007 -15.87697      12.07254 
1 1 1 14 32 24 o 15.787  5.3375 -3.6968  3.1234  14.703  6.8340 16.871  8.2008 -2.167796      10.67507 
1 1 1 14 33 1  o 26.131  6.7043 6.9705   3.1914  24.625  9.1479 27.637  9.8034 -3.012465      13.40862 
1 1 1 14 33 3  o 39.723  6.0867 18.039   3.2772  40.525  7.5470 38.921  9.5517 1.604259       12.17345 
1 1 1 14 33 5  o 47.781  5.4247 25.570   3.2653  44.837  9.4389 50.725  5.3493 -5.888241      10.84930 
1 1 1 14 33 7  o 52.545  3.9666 28.920   2.9262  47.822  5.6740 57.267  5.5447 -9.444805      7.933297 
1 1 1 14 33 9  o 21.588  6.5590 1.8071   3.4823  20.648  8.5532 22.529  9.9461 -1.880850      13.11797 
1 1 1 14 33 11 o 19.688  6.2327 -1.1491  3.6289  20.802  9.0159 18.575  8.6081 2.226049       12.46538 
1 1 1 14 33 13 o 39.098  6.3750 18.740   3.4926  44.220  8.1382 33.977  9.8148 10.24365       12.74993 
1 1 1 14 33 15 o 28.281  6.8027 10.485   3.2412  30.155  10.005 26.406  9.2195 3.748291       13.60538 
1 1 1 14 33 17 o 27.728  6.0512 9.6413   2.7712  22.695  8.6976 32.760  8.4154 -10.06477      12.10234 
1 1 1 14 33 19 o 43.531  5.3937 23.235   3.2320  41.298  8.2601 45.764  6.9383 -4.466141      10.78747 
1 1 1 14 33 21 o 52.549  5.5070 33.355   3.6190  52.281  5.5213 52.818  9.5301 -0.5366516     11.01402 
1 1 1 14 33 23 o 23.671  6.3009 7.8054   2.9097  24.818  8.3021 22.525  9.4804 2.292900       12.60176 
1 1 1 14 34 0  o 48.026  6.8016 24.825   6.3506  48.026  6.8016 ?       ?      0.000000       0.000000 
1 1 1 14 34 2  o 58.339  4.1978 36.718   3.4062  64.474  5.2830 52.203  6.5249 12.27110       8.395529 
1 1 1 14 34 4  o 68.143  3.4483 48.361   3.2772  70.146  5.2674 66.139  4.4517 4.006851       6.896611 
1 1 1 14 34 6  o 47.528  5.9078 26.048   3.8865  49.662  8.2539 45.394  8.4548 4.267330       11.81565 
1 1 1 14 34 8  o 44.591  5.6208 23.493   3.3771  52.982  6.4290 36.201  9.2218 16.78073       11.24166 
1 1 1 14 34 10 o 28.417  7.0940 10.635   3.6385  30.736  9.7339 26.099  10.322 4.637449       14.18807 
1 1 1 14 34 12 o 51.608  5.0925 31.552   3.4348  41.514  8.4981 61.702  5.6140 -20.18802      10.18499 
1 1 1 14 34 14 f 31.392  6.8747 13.495   3.4399  34.072  9.1315 28.712  10.279 5.360115       13.74946 
1 1 1 14 34 16 o 59.816  4.0591 39.932   3.3941  57.398  5.3309 62.234  6.1226 -4.836189      8.118147 
1 1 1 14 34 18 o 68.536  3.6727 51.691   3.5109  67.442  4.7082 69.630  5.6381 -2.188828      7.345388 
1 1 1 14 34 20 o 48.844  5.7856 30.214   3.3476  48.603  5.2265 49.084  10.324 -0.4813004     11.57128 
1 1 1 14 35 1  o 24.050  6.3869 5.6826   3.3395  18.776  8.5411 29.324  9.4984 -10.54818      12.77379 
1 1 1 14 35 3  f 30.244  7.0126 12.195   3.5561  25.066  9.5151 35.421  10.304 -10.35554      14.02511 
1 1 1 14 35 5  o 19.746  6.0322 1.5588   3.1753  17.504  8.0092 21.988  9.0224 -4.484163      12.06446 
1 1 1 14 35 7  o 65.751  4.1701 47.795   3.8465  65.887  6.3088 65.615  5.4552 0.2723465      8.340292 
1 1 1 14 35 9  o 48.570  4.9871 27.461   3.4052  46.121  7.5106 51.020  6.5631 -4.898888      9.974132 
1 1 1 14 35 11 o 19.123  6.0755 0.7335   3.4232  17.347  7.9967 20.900  9.1486 -3.553127      12.15091 
1 1 1 14 35 13 o 27.895  6.6400 10.421   3.3712  21.464  8.9813 34.326  9.7824 -12.86213      13.28000 
1 1 1 14 35 15 o 17.067  5.6575 -2.1765  3.4630  16.676  7.8910 17.459  8.1093 -0.7838421     11.31498 
1 1 1 14 35 17 o 21.148  5.9518 3.2872   3.2772  26.544  9.1436 15.751  7.6217 10.79309       11.90356 
1 1 1 14 36 0  o 12.885  8.6615 -0.3464  6.1196  12.885  8.6615 ?       ?      0.000000       0.000000 
1 1 1 14 36 2  o 53.281  4.4970 32.711   3.3712  54.382  5.9450 52.180  6.7491 2.201633       8.994087 
1 1 1 14 36 4  o 45.423  5.7481 25.919   3.6025  46.172  7.5023 44.674  8.7107 1.497219       11.49610 
1 1 1 14 36 6  o 22.369  6.6369 5.3104   3.5447  21.094  9.0370 23.645  9.7225 -2.550671      13.27379 
1 1 1 14 36 8  o 30.637  7.2873 13.948   3.7091  30.811  10.840 30.463  9.7427 0.3474121      14.57469 
1 1 1 14 36 10 o 30.804  5.7016 11.417   3.4907  16.671  7.8453 44.936  8.2757 -28.26492      11.40329 
1 1 1 14 36 12 o 53.307  5.3310 36.215   3.9524  51.754  6.8047 54.861  8.2083 -3.106995      10.66209 
1 1 1 14 37 1  o 30.387  7.2162 15.194   3.6549  28.767  9.9168 32.007  10.486 -3.240566      14.43244 
1 1 1 14 37 3  o 75.263  3.3030 63.042   3.4926  70.708  4.9806 79.817  4.3398 -9.109528      6.606098 
1 1 1 14 37 5  o 70.258  4.0053 57.245   3.9292  71.436  5.0915 69.081  6.1843 2.354828       8.010551 
1 1 1 14 37 7  o 30.215  6.7960 14.119   3.5390  35.748  9.2852 24.682  9.9261 11.06609       13.59205 
1 1 1 15 1  0  o 1031.42 8.3749 10644.91 172.735 1031.42 8.3749 ?       ?      0.000000       0.000000 
1 1 1 15 1  2  o 422.749 2.7475 1777.04  15.978  413.775 3.3626 431.723 4.3461 -17.94824      5.495020 
1 1 1 15 1  4  o 912.340 5.4275 8325.24  68.306  910.392 6.6395 914.287 8.5877 -3.895691      10.85501 
1 1 1 15 1  6  o 1078.20 6.3376 11648.82 94.243  1082.32 7.7291 1074.08 10.046 8.244019       12.67523 
1 1 1 15 1  8  o 704.944 4.3422 4974.05  41.963  705.919 5.2014 703.968 6.9544 1.951050       8.684400 
1 1 1 15 1  10 f 445.052 2.9364 1980.95  17.932  444.779 3.5306 445.326 4.6930 -0.5464172     5.872733 
1 1 1 15 1  12 o 718.463 4.2644 5163.25  43.282  710.905 5.8958 726.020 6.1627 -15.11554      8.528755 
1 1 1 15 1  14 f 163.446 1.5239 267.090  3.5179  164.328 2.2133 162.563 2.0953 1.764832       3.047814 
1 1 1 15 1  16 o 323.646 2.2905 1048.19  10.387  323.056 3.4848 324.236 2.9735 -1.179779      4.581008 
1 1 1 15 1  18 o 352.816 2.5487 1244.96  12.572  351.951 3.2807 353.682 3.9012 -1.731476      5.097331 
1 1 1 15 1  20 o 303.550 2.3026 922.551  9.8601  301.157 3.3931 305.944 3.1136 -4.786682      4.605185 
1 1 1 15 1  22 o 78.813  1.8412 62.813   2.0058  74.963  2.9265 82.662  2.2349 -7.698196      3.682325 
1 1 1 15 1  24 o 76.437  1.8167 58.262   1.9561  81.457  2.5515 71.417  2.5868 10.03989       3.633435 
1 1 1 15 1  26 o 48.408  2.5136 23.766   1.6245  50.031  2.7694 46.785  4.1955 3.245716       5.027148 
1 1 1 15 1  28 o 56.361  2.3531 32.312   1.7631  58.630  2.5602 54.092  3.9490 4.537655       4.706272 
1 1 1 15 1  30 o 23.247  4.6525 4.6335   1.6984  14.848  6.0065 31.647  7.1068 -16.79924      9.305055 
1 1 1 15 1  32 o 143.766 1.6764 206.147  3.2883  141.913 1.9934 145.620 2.6959 -3.707489      3.352846 
1 1 1 15 1  34 o 83.291  2.1205 70.050   2.3134  84.685  2.2497 81.897  3.5952 2.788803       4.241057 
1 1 1 15 1  36 f 144.042 1.8529 208.119  3.7091  144.070 2.3242 144.015 2.8863 0.5496216E-01  3.705770 
1 1 1 15 1  38 o 78.887  2.3766 62.964   2.5158  79.938  2.6722 77.837  3.9311 2.101089       4.753294 
1 1 1 15 1  40 o 14.896  4.8412 -3.0391  2.2950  14.028  6.4065 15.764  7.2598 -1.736080      9.682370 
1 1 1 15 1  42 o 49.932  4.1201 26.759   2.6083  53.379  4.0018 46.485  7.2033 6.893688       8.240245 
1 1 1 15 1  44 o 61.572  3.1725 40.136   2.6768  67.976  3.7369 55.168  5.1278 12.80793       6.344973 
1 1 1 15 1  46 o 20.950  5.9939 4.0091   2.7854  21.759  8.4012 20.141  8.5515 1.617655       11.98789 
1 1 1 15 1  48 o 17.281  5.5168 -0.9322  3.1017  19.474  8.2395 15.088  7.3384 4.385521       11.03367 
1 1 1 15 2  1  o 388.812 2.4618 1510.46  13.524  399.679 3.4956 377.945 3.4675 21.73419       4.923696 
1 1 1 15 2  3  o 1036.32 6.1847 10744.86 87.944  1034.60 7.4384 1038.05 9.8830 -3.449707      12.36942 
1 1 1 15 2  5  o 791.906 4.7101 6278.32  51.648  793.798 5.8256 790.015 7.4028 3.783081       9.420111 
1 1 1 15 2  7  o 69.462  1.7333 49.024   1.5841  72.081  1.8422 66.843  2.9366 5.238297       3.466575 
1 1 1 15 2  9  o 975.268 5.6218 9521.20  77.529  975.552 7.8827 974.985 8.0175 0.5668945      11.24352 
1 1 1 15 2  11 o 99.057  1.4636 98.129   2.0491  101.709 2.0434 96.406  2.0960 5.303383       2.927239 
1 1 1 15 2  13 o 370.915 2.3341 1376.37  12.235  372.404 3.2245 369.427 3.3755 2.976563       4.668189 
1 1 1 15 2  15 o 89.823  1.8076 81.882   2.2382  95.802  2.1694 83.844  2.8920 11.95788       3.615262 
1 1 1 15 2  17 o 324.605 2.5380 1057.15  11.228  327.528 2.9789 321.681 4.1099 5.847076       5.075920 
1 1 1 15 2  19 o 268.221 2.1110 716.458  7.8160  272.972 3.3205 263.470 2.6076 9.502228       4.221954 
1 1 1 15 2  21 f 155.628 1.4958 242.032  3.2816  157.277 2.2024 153.980 2.0246 3.296616       2.991645 
1 1 1 15 2  23 o 239.969 1.8995 576.527  6.4267  241.527 2.5576 238.412 2.8090 3.115234       3.798927 
1 1 1 15 2  25 o 168.128 1.6561 283.214  3.9122  169.783 2.1762 166.473 2.4969 3.309845       3.312206 
1 1 1 15 2  27 o 245.270 1.9236 603.625  6.5185  247.654 2.3545 242.886 3.0425 4.767807       3.847107 
1 1 1 15 2  29 o 87.509  1.9135 76.694   2.1924  87.597  2.0431 87.420  3.2360 0.1764755      3.826973 
1 1 1 15 2  31 o 69.919  2.0410 48.450   1.8976  68.089  2.2893 71.748  3.3795 -3.659187      4.081939 
1 1 1 15 2  33 o 67.856  2.2569 45.989   2.0596  67.127  2.5801 68.585  3.7038 -1.458000      4.513873 
1 1 1 15 2  35 o 19.533  5.2351 2.4478   1.9398  15.490  6.4075 23.577  8.2806 -8.087264      10.47017 
1 1 1 15 2  37 o 125.101 1.9140 157.265  3.3653  125.916 2.5217 124.286 2.8800 1.629959       3.827990 
1 1 1 15 2  39 o 46.794  3.6011 22.682   2.1748  48.919  3.6585 44.669  6.2037 4.249302       7.202130 
1 1 1 15 2  41 o 23.004  5.7141 5.1844   2.3035  22.506  7.8791 23.501  8.2779 -0.9953156     11.42820 
1 1 1 15 2  43 o 21.999  5.8548 4.4521   2.4811  22.245  8.2298 21.752  8.3298 0.4932995      11.70968 
1 1 1 15 2  45 o 51.611  3.8538 28.804   2.7926  52.827  5.0272 50.395  5.8425 2.431656       7.707623 
1 1 1 15 2  47 o 27.594  6.5321 10.319   2.9121  25.199  8.4004 29.989  10.005 -4.790152      13.06419 
1 1 1 15 3  0  o 592.117 5.0124 3507.35  59.349  592.117 5.0124 ?       ?      0.000000       0.000000 
1 1 1 15 3  2  f 318.368 2.1862 1013.63  9.8426  321.051 3.0930 315.684 3.0907 5.366882       4.372480 
1 1 1 15 3  4  o 385.743 2.4818 1488.24  13.538  383.371 3.5238 388.115 3.4956 -4.744141      4.963552 
1 1 1 15 3  6  o 196.711 1.5583 386.884  4.3176  196.257 2.0886 197.165 2.3132 -0.9084015     3.116596 
1 1 1 15 3  8  o 370.659 2.3183 1373.94  12.151  367.630 3.2664 373.688 3.2907 -6.057465      4.636614 
1 1 1 15 3  10 o 308.253 2.0733 949.570  9.0144  305.287 2.8177 311.220 3.0423 -5.932159      4.146664 
1 1 1 15 3  12 o 232.951 1.7700 542.741  5.8310  233.161 2.5008 232.740 2.5054 0.4213409      3.539908 
1 1 1 15 3  14 o 58.863  1.7300 34.251   1.4225  62.834  2.5726 54.892  2.3138 7.941952       3.460099 
1 1 1 15 3  16 o 333.260 2.2357 1111.00  10.534  333.908 3.1986 332.612 3.1243 1.295715       4.471303 
1 1 1 15 3  18 o 48.484  2.3985 23.384   1.5979  57.352  3.1206 39.615  3.6433 17.73697       4.797055 
1 1 1 15 3  20 o 113.408 1.4580 128.630  2.3378  111.449 2.0721 115.368 2.0517 -3.919098      2.915999 
1 1 1 15 3  22 o 337.578 2.8423 1138.36  12.893  335.510 3.2350 339.647 4.6744 -4.137238      5.684620 
1 1 1 15 3  24 o 89.588  1.6405 79.998   2.0639  92.033  2.4465 87.143  2.1862 4.889595       3.280987 
1 1 1 15 3  26 f 279.690 2.0562 786.460  7.9666  285.035 2.5318 274.344 3.2407 10.69070       4.112469 
1 1 1 15 3  28 o 151.920 1.5711 232.308  3.2471  154.748 1.8281 149.092 2.5557 5.656052       3.142184 
1 1 1 15 3  30 o 13.653  4.3366 -2.5704  1.8403  14.858  6.2901 12.448  5.9715 2.410061       8.673158 
1 1 1 15 3  32 o 52.989  2.4480 28.347   1.8181  56.478  3.1689 49.500  3.7322 6.978271       4.896034 
1 1 1 15 3  34 o 23.642  5.2050 4.9760   2.0879  17.340  7.0315 29.944  7.6764 -12.60438      10.41000 
1 1 1 15 3  36 o 59.371  2.5912 35.595   2.1615  61.282  3.3915 57.460  3.9185 3.821999       5.182369 
1 1 1 15 3  38 o 53.176  3.2355 28.454   2.3753  51.705  4.0196 54.646  5.0711 -2.940693      6.470946 
1 1 1 15 3  40 o 34.671  5.2176 12.960   2.4771  33.853  7.2070 35.489  7.5467 -1.636608      10.43520 
1 1 1 15 3  42 o 30.331  5.7218 10.352   2.4845  30.723  7.4047 29.939  8.7251 0.7834530      11.44370 
1 1 1 15 3  44 o 37.135  5.0221 15.493   2.5688  32.456  7.8918 41.813  6.2132 -9.356880      10.04418 
1 1 1 15 3  46 o 25.373  5.7503 7.6399   2.5928  30.833  7.9886 19.913  8.2733 10.91963       11.50067 
1 1 1 15 3  48 o 29.954  6.8854 13.974   3.4057  24.970  9.3129 34.938  10.144 -9.968287      13.77080 
1 1 1 15 4  1  o 858.032 4.9960 7367.47  60.615  855.636 7.1386 860.429 6.9915 -4.792603      9.992074 
1 1 1 15 4  3  o 155.673 1.6359 243.037  3.5561  153.206 2.5248 158.140 2.0809 -4.934189      3.271783 
1 1 1 15 4  5  o 362.537 2.4990 1311.38  12.242  365.034 4.0804 360.040 2.8863 4.994202       4.998057 
1 1 1 15 4  7  o 142.834 1.3543 205.854  2.6321  138.690 2.2062 146.978 1.5712 -8.288086      2.708507 
1 1 1 15 4  9  f 395.432 2.4466 1563.33  13.674  391.084 3.4101 399.781 3.5092 -8.697113      4.893124 
1 1 1 15 4  11 f 373.487 2.4268 1394.74  12.804  370.724 3.3482 376.251 3.5138 -5.527313      4.853552 
1 1 1 15 4  13 o 142.719 1.4616 203.925  2.9398  141.040 2.1695 144.398 1.9591 -3.358704      2.923116 
1 1 1 15 4  15 o 389.273 2.5960 1514.96  14.263  393.269 3.7875 385.277 3.5514 7.991516       5.192018 
1 1 1 15 4  17 o 388.901 2.7083 1513.42  14.895  389.866 3.8057 387.935 3.8544 1.931763       5.416647 
1 1 1 15 4  19 o 78.662  1.6584 62.576   1.8144  73.339  2.5977 83.984  2.0623 -10.64420      3.316803 
1 1 1 15 4  21 o 230.107 1.7207 529.522  5.5977  233.129 2.4516 227.086 2.4152 6.042496       3.441474 
1 1 1 15 4  23 o 80.298  1.6998 65.049   1.8894  77.238  2.6908 83.357  2.0778 -6.118507      3.399679 
1 1 1 15 4  25 o 85.167  1.7484 72.333   2.0973  88.179  2.5534 82.156  2.3892 6.023544       3.496894 
1 1 1 15 4  27 o 55.568  2.5091 31.845   1.8012  59.120  2.5390 52.016  4.3286 7.103409       5.018251 
1 1 1 15 4  29 o 168.570 1.7034 284.630  3.9208  168.955 2.0160 168.185 2.7461 0.7694855      3.406707 
1 1 1 15 4  31 o 212.990 1.7821 456.415  5.2486  217.105 2.1805 208.875 2.8192 8.230423       3.564109 
1 1 1 15 4  33 o 19.774  5.0342 3.0490   1.8312  16.476  6.6283 23.073  7.5788 -6.597204      10.06843 
1 1 1 15 4  35 f 73.302  2.3510 54.224   2.3371  74.414  2.7154 72.190  3.8387 2.224716       4.702014 
1 1 1 15 4  37 o 22.236  5.4650 4.6376   2.0879  21.269  7.3523 23.203  8.0875 -1.934072      10.92996 
1 1 1 15 4  39 o 16.033  4.9087 -0.3464  2.0491  15.920  6.8928 16.147  6.9909 -0.2275810     9.817490 
1 1 1 15 4  41 o 48.992  3.6247 24.644   2.5110  49.625  5.1188 48.359  5.1334 1.265965       7.249425 
1 1 1 15 4  43 o 50.746  3.7269 27.079   2.6544  53.527  4.8535 47.965  5.6571 5.562683       7.453805 
1 1 1 15 4  45 o 17.972  5.5120 0.9694   2.6240  18.893  7.9359 17.052  7.6518 1.840517       11.02403 
1 1 1 15 4  47 o 18.859  5.7463 1.6554   2.9083  16.777  7.7515 20.941  8.4851 -4.164074      11.49268 
1 1 1 15 5  0  o 576.152 5.0812 3320.88  58.541  576.152 5.0812 ?       ?      0.000000       0.000000 
1 1 1 15 5  2  o 106.752 1.9304 118.088  2.5058  100.449 3.4485 113.055 1.7362 -12.60613      3.860883 
1 1 1 15 5  4  o 354.868 2.3621 1255.63  11.290  357.884 3.8716 351.852 2.7073 6.031555       4.724282 
1 1 1 15 5  6  f 378.223 2.6257 1438.38  13.808  368.256 4.1074 388.190 3.2719 -19.93338      5.251304 
1 1 1 15 5  8  o 363.808 2.4133 1324.87  12.164  362.586 3.7895 365.031 2.9892 -2.445313      4.826559 
1 1 1 15 5  10 o 330.645 2.2707 1095.12  10.403  328.541 3.5672 332.749 2.8107 -4.207825      4.541462 
1 1 1 15 5  12 o 291.310 1.9480 848.716  8.0231  292.082 2.7870 290.538 2.7223 1.544189       3.895914 
1 1 1 15 5  14 o 495.309 3.5930 2468.61  24.320  486.341 5.8048 504.277 4.2360 -17.93524      7.186023 
1 1 1 15 5  16 o 160.721 1.6289 260.256  3.6549  168.213 2.0593 153.230 2.5243 14.98267       3.257743 
1 1 1 15 5  18 o 241.626 1.9491 578.382  6.4766  233.194 2.4014 250.058 3.0706 -16.86368      3.898181 
1 1 1 15 5  20 o 88.053  1.5070 77.541   1.8759  89.954  2.1179 86.152  2.1444 3.801987       3.013987 
1 1 1 15 5  22 o 94.255  1.4719 88.575   1.9561  98.817  2.1033 89.694  2.0597 9.122391       2.943815 
1 1 1 15 5  24 o 190.076 1.6546 361.580  4.4424  189.465 2.4072 190.686 2.2707 -1.221191      3.309206 
1 1 1 15 5  26 o 298.931 2.3040 895.067  9.6217  299.373 2.9505 298.488 3.5395 0.8853455      4.607996 
1 1 1 15 5  28 o 127.066 1.6142 160.761  2.8300  124.581 1.9927 129.551 2.5401 -4.969704      3.228445 
1 1 1 15 5  30 o 43.340  3.0747 18.654   1.8226  41.835  3.7260 44.844  4.8921 -3.008755      6.149445 
1 1 1 15 5  32 o 59.907  2.5172 35.691   2.1111  56.462  3.3743 63.353  3.7363 -6.891174      5.034412 
1 1 1 15 5  34 o 37.819  3.6935 14.464   1.9476  38.307  4.6720 37.332  5.7219 0.9750290      7.387012 
1 1 1 15 5  36 o 46.099  3.1580 21.276   2.0296  40.134  4.6032 52.065  4.3245 -11.93126      6.315919 
1 1 1 15 5  38 o 21.055  5.4935 3.6614   2.1802  21.977  7.5743 20.134  7.9590 1.842623       10.98703 
1 1 1 15 5  40 o 14.547  4.7571 -3.6478  2.3349  14.071  6.6209 15.023  6.8325 -0.9517307     9.514162 
1 1 1 15 5  42 o 17.463  5.4893 -1.0220  2.6532  16.236  7.1855 18.690  8.3004 -2.454405      10.97857 
1 1 1 15 5  44 o 20.695  5.6375 2.9372   2.5610  24.432  8.3022 16.957  7.6287 7.475473       11.27491 
1 1 1 15 5  46 o 16.952  5.3300 0.1687   2.5688  16.565  7.4192 17.339  7.6544 -0.7737484     10.65994 
1 1 1 15 5  48 o 15.370  5.0961 -2.4155  2.8450  14.894  7.1936 15.846  7.2204 -0.9513378     10.19223 
1 1 1 15 6  1  o 601.775 3.6022 3622.74  30.655  600.940 5.1205 602.611 5.0680 -1.671021      7.204483 
1 1 1 15 6  3  o 796.047 4.8415 6356.14  53.098  788.832 7.6993 803.263 5.8720 -14.43127      9.682916 
1 1 1 15 6  5  o 650.097 3.9646 4236.55  35.662  644.784 6.2497 655.409 4.8800 -10.62421      7.929242 
1 1 1 15 6  7  o 384.580 2.7129 1477.24  13.916  386.001 4.5019 383.159 3.0286 2.841675       5.425802 
1 1 1 15 6  9  o 589.965 3.8042 3490.19  30.871  585.316 6.0660 594.614 4.5925 -9.298767      7.608365 
1 1 1 15 6  11 o 397.965 2.6529 1589.22  14.395  393.934 4.2940 401.996 3.1164 -8.061768      5.305716 
1 1 1 15 6  13 o 200.579 2.5396 398.104  5.5020  203.180 4.6884 197.978 1.9538 5.202637       5.079179 
1 1 1 15 6  15 o 141.428 1.6587 199.378  3.3073  147.631 2.3855 135.225 2.3055 12.40585       3.317456 
1 1 1 15 6  17 o 186.948 1.5388 348.835  4.0601  181.129 2.1355 192.767 2.2162 -11.63806      3.077693 
1 1 1 15 6  19 o 236.523 1.7950 559.657  6.0042  236.962 2.5338 236.083 2.5432 0.8787231      3.590016 
1 1 1 15 6  21 o 92.233  1.5275 85.092   1.9913  94.580  2.1364 89.886  2.1838 4.693588       3.055027 
1 1 1 15 6  23 o 195.637 1.6485 382.658  4.5543  197.905 2.3921 193.369 2.2691 4.536530       3.297072 
1 1 1 15 6  25 o 78.010  1.8054 60.898   1.9913  77.604  2.5294 78.416  2.5768 -0.8122101     3.610764 
1 1 1 15 6  27 o 136.253 1.5452 185.583  2.8719  135.802 1.8280 136.704 2.4917 -0.9024963     3.090317 
1 1 1 15 6  29 f 109.923 1.5795 121.238  2.3753  110.856 1.8748 108.989 2.5426 1.866501       3.159079 
1 1 1 15 6  31 o 162.253 1.6283 264.493  3.6371  164.326 1.9674 160.180 2.5950 4.146606       3.256537 
1 1 1 15 6  33 o 147.335 1.6324 219.161  3.2997  151.770 1.9400 142.902 2.6260 8.867950       3.264895 
1 1 1 15 6  35 o 80.019  1.9912 64.218   2.2456  79.565  2.6847 80.474  2.9414 -0.9094009     3.982380 
1 1 1 15 6  37 o 94.750  1.9183 89.950   2.5532  92.866  2.5489 96.635  2.8677 -3.768738      3.836680 
1 1 1 15 6  39 o 22.389  5.5684 4.7340   2.1923  22.280  7.7771 22.499  7.9715 -0.2191334     11.13681 
1 1 1 15 6  41 o 33.644  4.7911 12.347   2.2193  38.054  5.6133 29.234  7.7659 8.819908       9.582154 
1 1 1 15 6  43 o 21.550  5.4698 2.7942   2.5864  27.597  8.1971 15.503  7.2445 12.09363       10.93967 
1 1 1 15 6  45 o 17.897  5.2556 1.7320   2.2862  16.257  7.3438 19.537  7.5203 -3.280010      10.51129 
1 1 1 15 6  47 o 21.061  5.8914 4.9252   2.5774  22.448  8.7461 19.675  7.8954 2.773516       11.78272 
1 1 1 15 7  0  o 21.211  7.0541 5.7732   2.6557  21.211  7.0541 ?       ?      0.000000       0.000000 
1 1 1 15 7  2  o 342.250 2.3545 1171.76  11.331  342.717 3.1164 341.782 3.5303 0.9351807      4.709060 
1 1 1 15 7  4  o 163.920 1.6100 267.443  3.6734  167.634 2.4796 160.206 2.0541 7.427979       3.219915 
1 1 1 15 7  6  o 820.555 4.9013 6749.74  55.371  815.776 7.7988 825.334 5.9388 -9.557922      9.802588 
1 1 1 15 7  8  o 689.182 4.2352 4764.89  40.437  682.071 6.6614 696.294 5.2319 -14.22351      8.470317 
1 1 1 15 7  10 o 510.155 3.3238 2607.12  23.018  508.238 5.4070 512.071 3.8671 -3.832581      6.647569 
1 1 1 15 7  12 o 511.320 4.9558 2614.63  28.177  512.066 9.0872 510.575 3.9576 1.491455       9.911542 
1 1 1 15 7  14 o 57.858  1.8731 33.491   1.5250  57.757  2.7988 57.959  2.4902 -0.2013588     3.746264 
1 1 1 15 7  16 o 240.247 1.9308 583.261  6.3283  231.934 3.1364 248.560 2.2530 -16.62593      3.861694 
1 1 1 15 7  18 o 92.495  1.6539 86.318   2.1221  88.591  2.6067 96.398  2.0362 -7.806808      3.307721 
1 1 1 15 7  20 o 49.097  3.0318 23.260   1.8843  52.369  5.1813 45.825  3.1496 6.544701       6.063512 
1 1 1 15 7  22 o 115.919 1.4261 134.238  2.3349  119.827 2.0235 112.011 2.0101 7.816078       2.852256 
1 1 1 15 7  24 o 100.465 1.6125 101.251  2.2713  102.193 2.0902 98.737  2.4558 3.456612       3.224901 
1 1 1 15 7  26 o 95.951  1.8513 91.647   2.4845  92.893  2.4238 99.009  2.7989 -6.116463      3.702532 
1 1 1 15 7  28 o 184.613 1.6101 341.693  4.0765  185.715 1.9274 183.512 2.5797 2.203049       3.220180 
1 1 1 15 7  30 o 177.827 1.6465 317.825  4.0470  180.612 2.0138 175.041 2.6056 5.571548       3.293087 
1 1 1 15 7  32 o 106.331 1.6849 113.629  2.4845  107.977 2.0852 104.684 2.6471 3.292618       3.369796 
1 1 1 15 7  34 o 77.228  1.9277 59.428   2.0879  73.885  2.5786 80.570  2.8662 -6.685410      3.855377 
1 1 1 15 7  36 o 95.900  1.9577 92.117   2.6444  93.429  2.6571 98.371  2.8757 -4.942451      3.915339 
1 1 1 15 7  38 o 90.005  1.9078 81.466   2.4234  91.490  2.5872 88.520  2.8044 2.970207       3.815542 
1 1 1 15 7  40 o 15.048  4.7627 -1.7430  2.1037  16.730  7.2121 13.366  6.2225 3.364433       9.525435 
1 1 1 15 7  42 o 57.516  2.7733 33.855   2.2501  60.593  3.8111 54.438  4.0299 6.154621       5.546633 
1 1 1 15 7  44 o 28.217  5.6248 9.6541   2.4697  23.659  9.2563 32.774  6.3934 -9.115316      11.24959 
1 1 1 15 7  46 o 16.197  4.8861 -1.0363  2.3035  12.209  5.9684 20.185  7.7378 -7.976554      9.772234 
1 1 1 15 8  1  o 303.153 2.1661 912.283  9.1913  289.447 2.8722 316.859 3.2432 -27.41202      4.332171 
1 1 1 15 8  3  o 233.033 1.6992 542.880  5.5977  236.996 2.4116 229.069 2.3943 7.926682       3.398327 
1 1 1 15 8  5  o 494.482 3.0544 2444.17  21.335  487.385 4.2288 501.579 4.4084 -14.19455      6.108707 
1 1 1 15 8  7  o 394.957 2.6760 1553.99  14.323  399.750 4.3471 390.164 3.1222 9.586517       5.352089 
1 1 1 15 8  9  o 466.200 2.9677 2177.82  19.211  462.791 4.6406 469.608 3.7004 -6.816376      5.935356 
1 1 1 15 8  11 o 382.533 3.8173 1479.57  16.395  377.382 6.9912 387.683 3.0677 -10.30035      7.634652 
1 1 1 15 8  13 o 346.967 2.6388 1205.23  12.916  344.356 3.8895 349.578 3.5672 -5.221527      5.277647 
1 1 1 15 8  15 o 363.501 2.4917 1325.92  12.473  359.433 3.9673 367.568 3.0157 -8.134857      4.983354 
1 1 1 15 8  17 o 204.725 1.7779 417.893  4.9125  206.615 2.9060 202.834 2.0493 3.780960       3.555885 
1 1 1 15 8  19 o 124.477 1.5575 154.372  2.5477  125.603 2.6199 123.350 1.6849 2.253784       3.114985 
1 1 1 15 8  21 f 240.058 1.8824 580.055  6.1736  235.204 3.0437 244.911 2.2158 -9.707077      3.764808 
1 1 1 15 8  23 o 84.803  1.8131 72.586   1.9180  83.526  3.1795 86.081  1.7438 -2.555206      3.626262 
1 1 1 15 8  25 o 186.273 1.8255 341.575  4.3466  192.146 3.1248 180.401 1.8881 11.74556       3.650936 
1 1 1 15 8  27 o 72.597  1.9262 52.638   1.8371  72.218  2.0785 72.977  3.2435 -0.7587357     3.852351 
1 1 1 15 8  29 o 87.384  1.7726 75.349   2.0537  84.370  1.9844 90.397  2.9378 -6.027374      3.545199 
1 1 1 15 8  31 o 107.810 1.6415 115.798  2.4167  105.989 1.9609 109.630 2.6330 -3.641029      3.283004 
1 1 1 15 8  33 o 120.689 1.6044 146.839  2.7024  125.366 2.0262 116.012 2.4882 9.353607       3.208868 
1 1 1 15 8  35 o 48.709  2.6004 23.901   1.7897  47.524  3.7659 49.895  3.5870 -2.370480      5.200779 
1 1 1 15 8  37 o 20.802  4.3989 3.5990   1.7026  27.556  6.2224 14.048  6.2195 13.50810       8.797770 
1 1 1 15 8  39 o 66.911  2.1360 44.949   2.0058  68.592  3.1983 65.230  2.8322 3.362907       4.272096 
1 1 1 15 8  41 o 16.528  4.3533 -0.7583  1.8612  11.511  5.6696 21.545  6.6077 -10.03384      8.706675 
1 1 1 15 8  43 o 15.094  4.7667 -0.9109  2.0527  15.409  6.9793 14.779  6.4942 0.6306410      9.533394 
1 1 1 15 8  45 f 19.351  4.9812 3.6588   1.8402  22.891  7.4697 15.811  6.5919 7.080772       9.962461 
1 1 1 15 8  47 o 20.019  5.2280 4.9148   1.8976  20.441  8.0634 19.597  6.6565 0.8440018      10.45598 
1 1 1 15 9  0  o 10.841  7.9445 -18.3589 9.2372  10.841  7.9445 ?       ?      0.000000       0.000000 
1 1 1 15 9  2  o 197.197 1.6767 388.581  4.6699  194.329 2.3173 200.065 2.4240 -5.736282      3.353404 
1 1 1 15 9  4  o 454.479 2.7394 2065.27  17.596  459.753 3.9304 449.205 3.8171 10.54767       5.478889 
1 1 1 15 9  6  o 166.211 1.4485 275.659  3.3974  160.672 2.0122 171.750 2.0841 -11.07855      2.896939 
1 1 1 15 9  8  o 285.371 1.9732 815.221  7.8145  284.282 3.0868 286.459 2.4588 -2.177551      3.946396 
1 1 1 15 9  10 o 196.322 2.8425 386.538  5.4672  195.806 5.3662 196.837 1.8771 -1.031174      5.685006 
1 1 1 15 9  12 o 628.749 4.2660 3959.05  37.930  625.538 6.0728 631.959 5.9929 -6.420959      8.531912 
1 1 1 15 9  14 o 128.028 1.6809 164.279  2.9310  127.211 2.7230 128.844 1.9715 -1.633339      3.361792 
1 1 1 15 9  16 o 151.902 1.5236 232.994  3.1290  147.582 2.5036 156.221 1.7369 -8.639023      3.047105 
1 1 1 15 9  18 o 243.512 2.0640 598.773  6.6950  237.761 3.4480 249.263 2.2698 -11.50200      4.128032 
1 1 1 15 9  20 o 137.322 1.6044 190.193  2.9097  134.641 2.7014 140.003 1.7319 -5.361938      3.208875 
1 1 1 15 9  22 o 110.103 1.7544 122.621  2.3811  108.089 3.0979 112.116 1.6478 -4.027191      3.508860 
1 1 1 15 9  24 o 236.108 1.9341 555.261  6.0729  238.934 3.2136 233.281 2.1531 5.653030       3.868194 
1 1 1 15 9  26 o 105.936 1.7472 113.840  2.3650  103.108 3.0236 108.764 1.7516 -5.656380      3.494319 
1 1 1 15 9  28 o 83.327  1.6586 69.755   1.8194  82.616  2.7952 84.037  1.7862 -1.420486      3.317158 
1 1 1 15 9  30 o 68.089  2.0108 45.978   1.6291  69.103  3.5925 67.076  1.8075 2.026779       4.021545 
1 1 1 15 9  32 o 95.328  1.7693 90.615   2.1347  96.101  3.0638 94.554  1.7707 1.546959       3.538665 
1 1 1 15 9  34 f 65.844  1.8612 41.336   1.4873  70.946  3.2550 60.741  1.8059 10.20541       3.722386 
1 1 1 15 9  36 o 62.030  3.5306 38.076   2.3278  63.605  6.5353 60.456  2.6738 3.148262       7.061101 
1 1 1 15 9  38 o 62.907  2.3262 39.192   1.8557  64.876  4.0045 60.939  2.3685 3.937168       4.652480 
1 1 1 15 9  40 o 33.240  3.6060 10.109   1.4991  40.419  5.8562 26.060  4.2092 14.35910       7.211957 
1 1 1 15 9  42 o 51.794  3.1522 28.450   1.6588  49.654  5.9298 53.934  2.1409 -4.280376      6.304399 
1 1 1 15 9  44 o 28.819  7.1462 11.277   3.5922  29.248  9.5865 28.391  10.600 0.8569622      14.29231 
1 1 1 15 9  46 o 25.566  7.1683 8.8283   3.7035  23.382  9.1669 27.750  11.023 -4.367167      14.33665 
1 1 1 15 10 1  f 403.780 2.6707 1631.56  15.236  400.431 3.8783 407.128 3.6727 -6.696716      5.341362 
1 1 1 15 10 3  o 188.781 1.4798 354.534  3.9292  180.021 2.0204 197.541 2.1627 -17.51999      2.959589 
1 1 1 15 10 5  o 156.455 1.3817 243.678  3.0424  163.096 2.0177 149.814 1.8883 13.28177       2.763429 
1 1 1 15 10 7  o 275.085 2.0513 757.189  7.9466  274.148 3.0535 276.023 2.7400 -1.875214      4.102615 
1 1 1 15 10 9  o 226.048 2.2501 513.467  6.5398  223.998 3.8660 228.099 2.3032 -4.101334      4.500124 
1 1 1 15 10 11 o 163.298 1.6808 266.954  3.7608  162.798 2.6952 163.798 2.0090 -1.000168      3.361561 
1 1 1 15 10 13 o 18.487  4.4122 2.8481   1.3856  16.976  7.1568 19.999  5.1625 -3.022596      8.824446 
1 1 1 15 10 15 o 249.715 2.1750 617.165  6.9918  255.068 3.7120 244.361 2.2681 10.70706       4.350054 
1 1 1 15 10 17 o 149.017 1.6911 222.585  3.2753  148.384 2.8791 149.650 1.7746 -1.266083      3.382107 
1 1 1 15 10 19 o 263.516 2.0570 696.255  7.3867  261.834 3.3294 265.197 2.4164 -3.363831      4.113905 
1 1 1 15 10 21 o 293.245 2.2312 864.146  8.9284  289.537 3.6091 296.954 2.6246 -7.416382      4.462489 
1 1 1 15 10 23 o 225.189 1.8754 510.570  5.7050  221.235 3.0793 229.142 2.1416 -7.907074      3.750755 
1 1 1 15 10 25 o 65.150  2.6568 43.955   1.9074  62.360  4.9067 67.939  2.0394 -5.578804      5.313622 
1 1 1 15 10 27 o 97.807  1.5867 95.143   2.0784  99.412  2.6133 96.201  1.8004 3.211037       3.173430 
1 1 1 15 10 29 o 106.672 1.5354 114.816  2.1568  104.698 2.5917 108.645 1.6473 -3.946899      3.070867 
1 1 1 15 10 31 o 106.640 1.9363 111.265  2.6915  111.970 3.2483 101.310 2.1085 10.66024       3.872629 
1 1 1 15 10 33 o 62.934  2.2709 36.246   1.5282  69.558  4.1499 56.310  1.8455 13.24821       4.541750 
1 1 1 15 10 35 o 43.215  5.7177 19.557   3.3436  42.247  6.9694 44.184  9.0662 -1.937061      11.43541 
1 1 1 15 10 37 o 63.742  3.8561 40.126   3.3437  57.433  4.8251 70.051  6.0163 -12.61826      7.712127 
1 1 1 15 10 39 o 36.621  5.3368 14.681   2.7122  31.545  8.5652 41.697  6.3690 -10.15230      10.67365 
1 1 1 15 10 41 o 55.929  4.3770 32.590   3.3677  52.615  5.4863 59.243  6.8215 -6.627850      8.753959 
1 1 1 15 10 43 o 44.184  6.2958 23.591   3.7675  39.968  8.7617 48.400  9.0433 -8.431473      12.59162 
1 1 1 15 10 45 o 21.124  6.4344 3.5907   3.5315  22.036  9.1304 20.212  9.0688 1.823357       12.86886 
1 1 1 15 10 47 o 22.584  7.1842 5.4677   4.4799  25.317  11.292 19.852  8.8847 5.465384       14.36848 
1 1 1 15 11 0  o 159.669 1.8808 255.061  6.0042  159.669 1.8808 ?       ?      0.000000       0.000000 
1 1 1 15 11 2  o 191.514 1.5535 363.418  4.1638  202.530 2.3090 180.499 2.0790 22.03020       3.107016 
1 1 1 15 11 4  o 221.863 1.8627 492.301  5.8030  221.989 2.8087 221.736 2.4474 0.2533417      3.725441 
1 1 1 15 11 6  o 99.886  1.3690 99.656   1.9302  101.706 1.9867 98.066  1.8839 3.640030       2.737900 
1 1 1 15 11 8  f 186.031 1.7367 346.327  4.5492  185.159 2.5879 186.902 2.3167 -1.742325      3.473379 
1 1 1 15 11 10 o 75.811  1.6298 57.832   1.7243  78.516  2.0588 73.107  2.5270 5.409027       3.259553 
1 1 1 15 11 12 o 114.427 1.5730 133.223  2.3555  109.932 2.6783 118.922 1.6506 -8.990906      3.146096 
1 1 1 15 11 14 o 322.464 2.3401 1036.31  10.181  326.070 3.8244 318.857 2.6978 7.213257       4.680172 
1 1 1 15 11 16 o 226.958 1.9896 515.797  6.3782  222.937 2.9004 230.979 2.7244 -8.041672      3.979271 
1 1 1 15 11 18 o 172.197 2.0982 303.316  4.3570  166.161 3.7524 178.232 1.8787 -12.07001      4.196464 
1 1 1 15 11 20 o 191.512 1.6765 370.938  4.3547  185.045 2.7455 197.980 1.9246 -12.93448      3.352905 
1 1 1 15 11 22 o 210.728 2.1365 446.761  5.4989  208.977 3.7848 212.480 1.9835 -3.502563      4.273021 
1 1 1 15 11 24 o 16.388  5.0308 0.1661   1.6766  19.493  8.4615 13.283  5.4440 6.209692       10.06152 
1 1 1 15 11 26 o 108.605 1.9149 118.967  2.4632  107.393 3.4405 109.817 1.6823 -2.424660      3.829784 
1 1 1 15 11 28 o 43.603  3.0482 18.802   1.4651  44.390  5.5924 42.816  2.4271 1.574871       6.096369 
1 1 1 15 11 30 o 30.750  6.4391 9.5714   3.2087  35.746  7.9595 25.753  10.124 9.992697       12.87824 
1 1 1 15 11 32 f 61.784  3.6940 38.544   3.0703  61.802  4.2037 61.765  6.0756 0.3709412E-01  7.388089 
1 1 1 15 11 34 o 26.746  6.7766 6.4720   3.2089  26.805  8.7824 26.687  10.323 0.1176414      13.55315 
1 1 1 15 11 36 o 30.759  6.5191 10.056   3.0206  29.404  8.6546 32.114  9.7515 -2.709850      13.03820 
1 1 1 15 11 38 f 25.413  6.8776 5.0727   3.3013  20.867  8.4203 29.959  10.877 -9.092379      13.75521 
1 1 1 15 11 40 o 28.788  6.2283 9.0870   2.9662  23.791  9.1995 33.786  8.3987 -9.994747      12.45669 
1 1 1 15 11 42 o 26.964  6.8882 8.2118   3.2883  25.580  8.9479 28.348  10.475 -2.768047      13.77637 
1 1 1 15 11 44 o 22.815  6.6710 4.7814   3.4450  18.970  8.3076 26.661  10.440 -7.691601      13.34207 
1 1 1 15 11 46 o 18.089  6.1904 -5.9411  4.8287  17.969  8.3072 18.208  9.1801 -0.2399349     12.38078 
1 1 1 15 12 1  f 172.143 1.6719 296.390  4.0699  172.445 2.3770 171.842 2.3517 0.6031494      3.343758 
1 1 1 15 12 3  o 365.221 2.4360 1332.28  12.559  374.200 3.5176 356.243 3.3708 17.95761       4.871977 
1 1 1 15 12 5  o 585.006 3.7669 3423.57  30.979  581.630 4.9928 588.382 5.6419 -6.752502      7.533847 
1 1 1 15 12 7  o 141.090 1.5533 199.357  3.0755  139.799 2.3539 142.381 2.0274 -2.581436      3.106638 
1 1 1 15 12 9  o 217.939 1.9440 474.976  5.8517  217.657 2.3872 218.221 3.0689 -0.5643616     3.888026 
1 1 1 15 12 11 o 379.214 2.8173 1440.93  14.937  376.525 4.3239 381.904 3.6130 -5.378662      5.634667 
1 1 1 15 12 13 o 277.481 2.1060 769.645  7.9626  278.289 3.4022 276.672 2.4831 1.617676       4.212038 
1 1 1 15 12 15 o 86.934  1.8915 76.746   2.2713  80.457  3.0137 93.412  2.2867 -12.95525      3.783095 
1 1 1 15 12 17 o 196.318 1.7635 387.930  4.7292  192.304 2.8520 200.331 2.0749 -8.026398      3.526950 
1 1 1 15 12 19 o 227.772 1.9733 519.220  6.2520  227.803 3.0665 227.742 2.4843 0.6094360E-01  3.946549 
1 1 1 15 12 21 o 325.264 2.7001 1070.42  11.421  318.157 4.6090 332.371 2.8139 -14.21448      5.400129 
1 1 1 15 12 23 o 287.124 2.2113 829.068  8.6157  283.370 3.6061 290.878 2.5603 -7.507813      4.422599 
1 1 1 15 12 25 o 35.589  4.8637 13.236   1.7016  34.455  9.2051 36.723  3.1442 -2.268005      9.727304 
1 1 1 15 12 27 o 30.120  3.9914 8.7643   1.7411  44.174  4.9664 16.067  6.2498 28.10699       7.982800 
1 1 1 15 12 29 o 40.592  4.5276 16.608   2.5774  39.568  5.9822 41.615  6.7977 -2.047649      9.055115 
1 1 1 15 12 31 o 126.482 2.2986 159.629  3.9422  124.371 2.6923 128.592 3.7263 -4.221436      4.597190 
1 1 1 15 12 33 o 36.980  6.0714 14.519   3.0106  35.807  7.3469 38.154  9.6679 -2.346996      12.14270 
1 1 1 15 12 35 o 30.819  6.5460 10.044   2.9913  29.313  8.2936 32.325  10.130 -3.012054      13.09207 
1 1 1 15 12 37 o 25.444  5.5768 2.9281   3.1895  34.764  7.9711 16.124  7.8015 18.63987       11.15351 
1 1 1 15 12 39 o 23.463  6.7727 3.2959   3.4264  19.494  8.3343 27.433  10.678 -7.938536      13.54543 
1 1 1 15 12 41 o 31.173  7.0262 11.462   3.3666  27.631  8.9669 34.715  10.820 -7.084133      14.05237 
1 1 1 15 12 43 o 19.685  6.0780 -0.5737  3.5650  22.323  8.9193 17.046  8.2592 5.277178       12.15602 
1 1 1 15 12 45 o 26.158  7.0087 9.5980   3.6867  28.801  9.9922 23.515  9.8306 5.285677       14.01736 
1 1 1 15 13 0  o 193.297 2.5098 373.874  9.6990  193.297 2.5098 ?       ?      0.000000       0.000000 
1 1 1 15 13 2  o 118.447 1.4308 140.142  2.3928  123.539 2.0095 113.354 2.0372 10.18552       2.861528 
1 1 1 15 13 4  o 240.696 1.8925 579.850  6.4360  237.337 2.7487 244.055 2.6021 -6.717880      3.785020 
1 1 1 15 13 6  o 496.363 3.2844 2468.84  22.962  490.829 4.8931 501.897 4.3826 -11.06805      6.568800 
1 1 1 15 13 8  o 318.150 2.3612 1009.76  10.474  313.414 3.0210 322.886 3.6297 -9.471954      4.722355 
1 1 1 15 13 10 o 338.867 2.5195 1150.54  11.994  335.599 3.8018 342.135 3.3073 -6.536377      5.039062 
1 1 1 15 13 12 o 439.680 2.7761 1935.10  17.261  440.183 3.9478 439.177 3.9042 1.005157       5.552291 
1 1 1 15 13 14 o 118.332 1.9145 140.002  3.2018  121.013 2.7193 115.650 2.6957 5.363182       3.829007 
1 1 1 15 13 16 o 208.872 2.1078 439.816  5.5535  206.014 3.6711 211.731 2.0723 -5.716583      4.215581 
1 1 1 15 13 18 o 154.160 1.9659 241.559  3.7587  149.988 3.4642 158.332 1.8596 -8.344009      3.931780 
1 1 1 15 13 20 o 68.226  1.9763 45.115   1.7932  73.541  3.2186 62.911  2.2942 10.62974       3.952594 
1 1 1 15 13 22 o 98.143  1.7783 96.481   2.1643  98.000  3.1222 98.286  1.7034 -0.2857513     3.556699 
1 1 1 15 13 24 o 97.189  1.9290 93.265   2.2450  99.199  3.4337 95.179  1.7590 4.019936       3.858046 
1 1 1 15 13 26 o 141.409 2.0435 200.927  4.0699  134.711 3.0428 148.106 2.7286 -13.39494      4.087057 
1 1 1 15 13 28 o 151.924 2.2703 231.208  4.6946  151.388 2.6695 152.460 3.6731 -1.072205      4.540677 
1 1 1 15 13 30 o 40.924  5.2170 16.722   2.8720  31.496  7.7427 50.352  6.9941 -18.85576      10.43394 
1 1 1 15 13 32 o 87.718  2.9249 77.262   3.5415  86.432  3.6069 89.004  4.6054 -2.572258      5.849738 
1 1 1 15 13 34 o 68.151  3.7843 46.979   3.4861  66.941  4.3984 69.362  6.1593 -2.420616      7.568569 
1 1 1 15 13 36 o 26.855  6.8906 6.6007   3.3677  27.512  9.0584 26.199  10.386 1.313393       13.78119 
1 1 1 15 13 38 o 22.298  6.5732 1.5430   3.4239  18.075  8.0813 26.520  10.369 -8.444820      13.14640 
1 1 1 15 13 40 f 48.098  6.1212 27.087   3.8715  53.815  6.4368 42.381  10.414 11.43420       12.24236 
1 1 1 15 13 42 o 49.733  5.2519 28.478   3.6218  47.296  6.7137 52.170  8.0783 -4.874527      10.50388 
1 1 1 15 13 44 o 17.718  5.8978 -2.9837  3.8025  16.977  8.0268 18.459  8.6433 -1.482098      11.79557 
1 1 1 15 14 1  o 78.649  1.6571 60.951   1.8186  86.354  2.4068 70.944  2.2786 15.41001       3.314291 
1 1 1 15 14 3  o 145.688 1.3875 212.301  2.8575  148.957 1.9379 142.419 1.9863 6.537949       2.775027 
1 1 1 15 14 5  o 188.419 1.7199 355.792  4.5345  186.239 2.6349 190.599 2.2112 -4.359329      3.439774 
1 1 1 15 14 7  o 179.282 1.6856 321.132  4.2597  177.031 2.2828 181.533 2.4806 -4.502304      3.371146 
1 1 1 15 14 9  o 136.385 1.6462 186.016  3.0868  136.527 2.6218 136.243 1.9916 0.2840118      3.292425 
1 1 1 15 14 11 o 228.398 1.8591 521.958  6.0042  230.685 2.6028 226.110 2.6554 4.575165       3.718272 
1 1 1 15 14 13 o 134.884 1.6614 182.679  3.1250  137.543 2.0987 132.226 2.5761 5.317062       3.322744 
1 1 1 15 14 15 o 186.460 1.8154 347.336  4.6998  187.748 2.8290 185.172 2.2760 2.575867       3.630869 
1 1 1 15 14 17 o 65.199  2.2971 41.746   1.8344  67.211  4.0372 63.188  2.1928 4.022427       4.594254 
1 1 1 15 14 19 o 190.787 1.9522 371.444  4.9125  181.693 3.3046 199.881 2.0796 -18.18724      3.904464 
1 1 1 15 14 21 o 273.161 2.4277 749.937  8.3998  271.373 4.2123 274.950 2.4147 -3.577606      4.855317 
1 1 1 15 14 23 o 291.113 2.5312 849.416  9.4645  290.920 4.3460 291.306 2.5962 -0.3859558     5.062406 
1 1 1 15 14 25 o 30.511  4.7093 9.1987   1.7705  32.258  8.2098 28.764  4.6163 3.493540       9.418639 
1 1 1 15 14 27 o 96.761  2.7294 93.639   3.5857  95.608  3.2004 97.914  4.4222 -2.306351      5.458739 
1 1 1 15 14 29 o 65.794  3.5326 43.136   3.0588  64.238  3.8645 67.350  5.9147 -3.111526      7.065257 
1 1 1 15 14 31 o 97.110  2.7897 95.027   3.6025  97.390  3.0825 96.830  4.6506 0.5607681      5.579396 
1 1 1 15 14 33 o 90.594  2.6493 83.092   3.3771  95.317  3.5130 85.871  3.9666 9.445152       5.298618 
1 1 1 15 14 35 o 80.932  4.2989 68.536   4.2368  84.220  3.9073 77.644  7.6586 6.576050       8.597773 
1 1 1 15 14 37 o 95.286  2.8853 90.943   3.7224  91.266  3.4159 99.306  4.6508 -8.040543      5.770501 
1 1 1 15 14 39 o 61.650  4.0581 40.073   3.5065  62.657  5.2520 60.644  6.1880 2.013592       8.116275 
1 1 1 15 14 41 o 17.951  5.9048 -5.1959  3.4667  12.821  6.3244 23.080  9.9734 -10.25984      11.80955 
1 1 1 15 14 43 o 43.672  5.9807 24.300   3.5338  45.821  6.9298 41.523  9.7496 4.297729       11.96145 
1 1 1 15 14 45 o 15.608  5.3776 -4.3720  3.0837  13.669  6.3769 17.546  8.6607 -3.877383      10.75510 
1 1 1 15 15 0  o 58.673  3.2684 34.755   3.8103  58.673  3.2684 ?       ?      0.000000       0.000000 
1 1 1 15 15 2  o 103.928 1.3940 107.857  2.0458  107.066 1.9951 100.791 1.9475 6.275269       2.788058 
1 1 1 15 15 4  o 15.148  4.5703 -0.2896  1.7566  14.321  6.3728 15.975  6.5527 -1.654587      9.140598 
1 1 1 15 15 6  o 89.713  1.6131 79.763   2.0296  96.693  2.3286 82.734  2.2330 13.95859       3.226216 
1 1 1 15 15 8  o 218.803 2.1092 478.011  6.3170  220.366 3.3796 217.239 2.5247 3.126556       4.218482 
1 1 1 15 15 10 o 213.347 1.7704 454.925  5.3276  215.872 2.5941 210.822 2.4098 5.050385       3.540741 
1 1 1 15 15 12 f 203.897 1.9227 415.296  5.4335  202.439 2.3955 205.354 3.0081 -2.914581      3.845458 
1 1 1 15 15 14 f 100.489 1.6250 101.032  2.3093  100.201 2.3047 100.776 2.2915 -0.5745239     3.249997 
1 1 1 15 15 16 o 38.073  3.0754 14.805   1.5829  30.344  4.9467 45.802  3.6554 -15.45745      6.150776 
1 1 1 15 15 18 o 202.960 1.8717 415.363  5.1839  197.873 3.0343 208.048 2.1922 -10.17490      3.743403 
1 1 1 15 15 20 o 165.397 1.8105 276.043  3.9807  162.000 3.0292 168.794 1.9838 -6.794647      3.620935 
1 1 1 15 15 22 o 146.318 1.7795 218.391  3.4264  139.661 3.0176 152.975 1.8870 -13.31438      3.559043 
1 1 1 15 15 24 o 144.685 1.7481 213.575  3.2835  138.721 2.9965 150.650 1.8011 -11.92825      3.496126 
1 1 1 15 15 26 o 71.241  2.6627 51.893   1.9794  69.640  4.9741 72.841  1.9022 -3.201530      5.325387 
1 1 1 15 15 28 o 157.785 2.3026 250.222  4.9860  158.949 2.7604 156.622 3.6861 2.326797       4.605130 
1 1 1 15 15 30 o 94.434  2.4548 89.971   3.2616  99.359  3.2539 89.508  3.6765 9.851601       4.909597 
1 1 1 15 15 32 o 35.273  5.6813 13.874   2.9621  44.468  5.9721 26.078  9.6665 18.39007       11.36256 
1 1 1 15 15 34 o 29.340  7.1748 8.3794   3.5629  26.130  9.3678 32.551  10.870 -6.420881      14.34968 
1 1 1 15 15 36 o 31.984  6.7849 11.447   3.3475  34.188  8.4749 29.779  10.598 4.409500       13.56974 
1 1 1 15 15 38 o 25.003  6.8288 5.1428   3.5263  26.636  9.2272 23.370  10.069 3.265926       13.65763 
1 1 1 15 15 40 o 19.945  6.4454 -2.4072  3.8630  16.060  7.6131 23.829  10.403 -7.769079      12.89081 
1 1 1 15 15 42 o 22.998  6.7299 3.7346   3.5181  16.188  7.4981 29.807  11.178 -13.61916      13.45973 
1 1 1 15 15 44 o 20.298  6.1244 3.3189   3.3751  16.552  7.8295 24.044  9.4197 -7.491570      12.24874 
1 1 1 15 16 1  o 273.326 2.0057 746.532  7.6840  271.141 2.6190 275.510 3.0384 -4.369476      4.011360 
1 1 1 15 16 3  o 411.731 2.6415 1694.15  15.357  400.853 3.6726 422.609 3.7977 -21.75620      5.283071 
1 1 1 15 16 5  o 250.110 1.9112 626.088  6.7542  242.910 2.7570 257.311 2.6475 -14.40143      3.822349 
1 1 1 15 16 7  o 154.238 1.6159 238.133  3.5207  152.197 2.3518 156.279 2.2165 -4.081955      3.231713 
1 1 1 15 16 9  o 235.897 1.9207 556.257  6.3103  237.045 2.9713 234.750 2.4347 2.295303       3.841426 
1 1 1 15 16 11 o 225.848 1.8547 509.506  5.8859  228.752 2.7762 222.943 2.4601 5.808060       3.709328 
1 1 1 15 16 13 o 130.022 1.4914 169.057  2.7396  131.219 2.1558 128.825 2.0615 2.393646       2.982834 
1 1 1 15 16 15 o 102.506 1.6520 104.779  2.3872  107.683 2.3590 97.329  2.3133 10.35415       3.303983 
1 1 1 15 16 17 o 201.734 1.7108 407.320  4.8741  201.896 2.3448 201.572 2.4918 0.3246002      3.421546 
1 1 1 15 16 19 o 200.730 1.9785 400.697  5.2340  203.771 3.3148 197.689 2.1611 6.082443       3.957067 
1 1 1 15 16 21 o 36.369  4.4234 15.180   1.7931  29.931  8.2335 42.807  3.2368 -12.87598      8.846877 
1 1 1 15 16 23 o 91.682  1.9366 86.390   2.2954  86.520  3.3364 96.844  1.9672 -10.32412      3.873157 
1 1 1 15 16 25 o 83.979  2.2248 72.159   2.1680  81.502  4.0376 86.456  1.8698 -4.953300      4.449519 
1 1 1 15 16 27 o 18.540  5.8116 -1.4495  2.8250  16.406  7.2329 20.674  9.0984 -4.268070      11.62311 
1 1 1 15 16 29 o 24.421  6.2335 4.6975   2.7535  19.501  7.8665 29.341  9.6717 -9.839296      12.46693 
1 1 1 15 16 31 o 18.260  5.7155 -1.2973  2.7813  17.266  7.3706 19.254  8.7374 -1.987400      11.43094 
1 1 1 15 16 33 o 68.966  3.9634 47.767   3.6810  66.227  4.6202 71.705  6.4411 -5.477303      7.926793 
1 1 1 15 16 35 o 50.517  5.5705 28.066   3.5003  53.985  5.3471 47.050  9.7739 6.934891       11.14095 
1 1 1 15 16 37 o 53.310  5.0122 30.624   3.5658  55.651  5.4982 50.969  8.3819 4.681896       10.02434 
1 1 1 15 16 39 o 58.058  4.8513 37.396   3.5961  61.343  4.7998 54.773  8.4322 6.569218       9.702554 
1 1 1 15 16 41 o 21.848  6.5387 3.7006   3.3475  18.489  8.0809 25.208  10.282 -6.718859      13.07733 
1 1 1 15 16 43 f 20.265  6.6426 0.5845   4.5464  20.603  9.2873 19.926  9.4995 0.6767406      13.28515 
1 1 1 15 17 0  o 143.268 2.0157 205.411  5.7732  143.268 2.0157 ?       ?      0.000000       0.000000 
1 1 1 15 17 2  o 22.305  4.1330 4.6206   1.6144  30.089  5.3741 14.521  6.2805 15.56871       8.265939 
1 1 1 15 17 4  o 26.092  4.5590 7.1031   1.6722  26.189  6.2503 25.994  6.6385 0.1950607      9.117914 
1 1 1 15 17 6  o 376.457 2.5656 1418.76  13.643  376.430 3.5275 376.484 3.7263 -0.5380249E-01 5.131113 
1 1 1 15 17 8  o 464.934 2.9809 2164.86  19.598  467.751 4.2335 462.116 4.1977 5.634705       5.961770 
1 1 1 15 17 10 o 216.404 1.7555 468.471  5.3592  217.159 2.5788 215.650 2.3826 1.508759       3.510995 
1 1 1 15 17 12 o 299.118 2.2118 894.391  9.3170  294.615 2.9786 303.620 3.2705 -9.005005      4.423587 
1 1 1 15 17 14 o 237.740 1.7693 565.432  5.9375  236.509 2.4166 238.971 2.5850 -2.462524      3.538658 
1 1 1 15 17 16 o 187.585 1.7411 352.153  4.6179  184.817 2.4678 190.353 2.4567 -5.535461      3.482100 
1 1 1 15 17 18 o 69.333  1.8362 48.339   1.7878  66.374  2.7834 72.291  2.3958 -5.916603      3.672475 
1 1 1 15 17 20 o 154.590 1.7245 240.580  3.5857  152.153 2.8458 157.027 1.9486 -4.873596      3.448964 
1 1 1 15 17 22 o 66.606  3.1773 45.712   2.3701  64.294  5.8367 68.919  2.5131 -4.624916      6.354685 
1 1 1 15 17 24 o 159.352 1.9277 256.924  4.0365  155.735 3.2622 162.969 2.0547 -7.234146      3.855368 
1 1 1 15 17 26 o 46.131  4.1235 20.716   1.8904  47.752  7.7377 44.511  2.8535 3.241116       8.247058 
1 1 1 15 17 28 o 25.389  6.0320 4.3223   3.1022  31.212  8.0781 19.565  8.9601 11.64680       12.06402 
1 1 1 15 17 30 o 56.687  3.8617 32.224   3.0431  48.915  5.5472 64.459  5.3739 -15.54358      7.723360 
1 1 1 15 17 32 o 44.858  5.8775 20.965   3.5263  42.726  7.0264 46.990  9.4240 -4.263943      11.75509 
1 1 1 15 17 34 o 65.294  4.4202 46.066   3.5697  71.023  4.0643 59.566  7.8507 11.45759       8.840379 
1 1 1 15 17 36 o 52.893  4.5712 29.728   3.3574  55.188  5.6490 50.598  7.1883 4.589931       9.142324 
1 1 1 15 17 38 o 43.341  6.4657 21.428   3.8826  32.742  9.4971 53.940  8.7765 -21.19838      12.93141 
1 1 1 15 17 40 o 19.192  6.2552 -1.3520  3.7819  16.710  7.8300 21.674  9.7570 -4.964256      12.51033 
1 1 1 15 17 42 o 27.061  7.3686 10.721   3.9534  26.431  10.012 27.691  10.814 -1.260086      14.73721 
1 1 1 15 18 1  o 157.696 1.8017 249.675  3.9425  160.176 2.2347 155.216 2.8268 4.960373       3.603410 
1 1 1 15 18 3  o 191.200 1.6027 365.818  4.3292  197.479 2.2218 184.921 2.3103 12.55862       3.205299 
1 1 1 15 18 5  o 422.479 2.7780 1787.30  16.596  426.168 3.9421 418.790 3.9151 7.377533       5.555922 
1 1 1 15 18 7  f 478.607 2.9683 2295.00  20.090  480.230 4.2076 476.984 4.1879 3.246338       5.936517 
1 1 1 15 18 9  o 257.538 2.0319 664.710  7.3879  263.035 2.7655 252.042 2.9778 10.99289       4.063883 
1 1 1 15 18 11 o 29.659  4.1793 8.9254   1.7146  24.234  6.3542 35.083  5.4304 -10.84978      8.358542 
1 1 1 15 18 13 o 126.744 1.7392 160.741  3.1165  125.812 2.4320 127.676 2.4870 -1.863602      3.478494 
1 1 1 15 18 15 o 210.819 1.7812 444.500  5.3057  207.183 2.4800 214.455 2.5574 -7.271317      3.562445 
1 1 1 15 18 17 o 149.870 1.5254 224.628  3.2289  148.179 2.1039 151.561 2.2093 -3.381760      3.050824 
1 1 1 15 18 19 o 214.976 1.9554 462.003  5.9324  209.875 2.6958 220.077 2.8331 -10.20190      3.910746 
1 1 1 15 18 21 o 209.299 1.9410 440.833  5.6220  205.271 3.0656 213.327 2.3815 -8.055374      3.881967 
1 1 1 15 18 23 o 121.395 1.8845 149.423  3.1375  115.876 3.0392 126.914 2.2290 -11.03836      3.768944 
1 1 1 15 18 25 o 22.092  5.6903 3.5946   1.9845  22.611  9.6947 21.574  5.9608 1.036924       11.38065 
1 1 1 15 18 27 o 40.492  5.6481 17.635   2.9913  43.982  5.7756 37.003  9.7080 6.978687       11.29616 
1 1 1 15 18 29 o 35.380  7.0549 13.384   3.6218  31.795  9.3635 38.965  10.555 -7.170105      14.10978 
1 1 1 15 18 31 o 72.446  3.5026 53.688   3.5390  75.975  4.4073 68.918  5.4451 7.057259       7.005234 
1 1 1 15 18 33 o 28.688  7.3924 7.9356   3.7348  27.215  9.3262 30.160  11.472 -2.944681      14.78478 
1 1 1 15 18 35 o 18.906  5.8510 -1.5763  3.1461  16.024  7.5505 21.788  8.9401 -5.763845      11.70196 
1 1 1 15 18 37 o 51.345  5.3360 29.015   3.8129  49.927  6.8224 52.763  8.2064 -2.836311      10.67191 
1 1 1 15 18 39 o 43.638  5.5045 23.058   3.1959  47.513  6.0754 39.762  9.1810 7.751556       11.00908 
1 1 1 15 18 41 o 31.691  7.4397 14.787   4.0241  25.154  9.8903 38.228  11.117 -13.07392      14.87941 
1 1 1 15 19 0  o 181.119 2.6150 328.381  9.4681  181.119 2.6150 ?       ?      0.000000       0.000000 
1 1 1 15 19 2  o 275.963 2.0722 762.693  8.0821  280.149 2.8645 271.777 2.9952 8.372253       4.144441 
1 1 1 15 19 4  o 213.998 1.6985 458.440  5.1375  216.144 2.3505 211.851 2.4526 4.293091       3.397078 
1 1 1 15 19 6  o 296.009 2.0757 877.026  8.6840  297.571 2.9878 294.447 2.8822 3.124329       4.151395 
1 1 1 15 19 8  o 211.719 1.7451 448.589  5.2246  213.805 2.4572 209.634 2.4786 4.170273       3.490151 
1 1 1 15 19 10 f 172.981 1.7945 299.594  4.3869  171.243 2.5959 174.718 2.4782 -3.474960      3.588949 
1 1 1 15 19 12 o 116.984 1.5938 137.256  2.6189  118.988 2.0863 114.981 2.4101 4.007240       3.187693 
1 1 1 15 19 14 o 104.442 1.5853 109.242  2.3349  105.357 2.1371 103.527 2.3422 1.830017       3.170618 
1 1 1 15 19 16 o 30.710  4.3214 10.117   1.8144  37.151  4.6620 24.270  7.2776 12.88062       8.642828 
1 1 1 15 19 18 o 248.472 1.9225 617.998  6.7468  246.289 2.6488 250.655 2.7869 -4.365585      3.844904 
1 1 1 15 19 20 o 87.820  2.0025 77.083   2.4610  86.490  2.6033 89.151  3.0436 -2.661278      4.005084 
1 1 1 15 19 22 o 79.029  2.5905 62.457   2.4114  79.374  4.6550 78.685  2.2745 0.6885376      5.180999 
1 1 1 15 19 24 o 38.473  5.1297 15.094   2.0154  38.585  9.6026 38.361  3.6119 0.2232666      10.25946 
1 1 1 15 19 26 o 19.940  5.6161 1.1340   2.1155  27.038  9.6313 12.841  5.7794 14.19703       11.23228 
1 1 1 15 19 28 o 33.995  6.3048 12.736   3.1495  38.722  7.2752 29.268  10.299 9.454245       12.60954 
1 1 1 15 19 30 o 17.503  5.6268 -3.6733  3.0884  18.824  8.3088 16.183  7.5898 2.641441       11.25354 
1 1 1 15 19 32 o 23.196  6.8347 2.1193   3.4185  18.373  7.9716 28.019  11.104 -9.646061      13.66946 
1 1 1 15 19 34 o 25.313  7.2501 4.7811   3.9019  23.968  9.4128 26.657  11.030 -2.689098      14.50026 
1 1 1 15 19 36 o 38.929  6.5479 18.213   3.5239  42.848  6.8716 35.011  11.148 7.836746       13.09571 
1 1 1 15 19 38 o 23.501  6.4098 6.1603   2.9977  20.807  8.4104 26.194  9.6751 -5.387283      12.81961 
1 1 1 15 19 40 o 24.983  6.8315 7.6103   3.7983  28.914  9.7562 21.053  9.5652 7.861383       13.66295 
1 1 1 15 20 1  o 27.217  4.9710 7.6727   2.0491  33.011  6.3476 21.424  7.6519 11.58677       9.942045 
1 1 1 15 20 3  o 82.167  2.1131 67.628   2.4533  83.398  2.9075 80.936  3.0672 2.461334       4.226246 
1 1 1 15 20 5  o 146.697 1.5871 215.325  3.2867  146.851 2.3195 146.543 2.1668 0.3080597      3.174126 
1 1 1 15 20 7  o 109.958 1.6360 121.122  2.5402  113.423 2.2396 106.493 2.3853 6.930527       3.271950 
1 1 1 15 20 9  o 52.419  2.5812 27.447   1.8772  51.716  3.2374 53.122  4.0211 -1.406330      5.162345 
1 1 1 15 20 11 o 142.069 1.6100 202.064  3.2320  143.229 2.2169 140.909 2.3354 2.320236       3.220048 
1 1 1 15 20 13 o 205.256 1.9789 421.362  5.7326  208.492 2.8798 202.019 2.7149 6.472610       3.957752 
1 1 1 15 20 15 o 202.781 1.6809 411.502  4.8191  206.136 2.3806 199.425 2.3738 6.711319       3.361892 
1 1 1 15 20 17 o 42.450  3.3635 18.500   1.9302  34.028  5.4292 50.873  3.9719 -16.84482      6.727001 
1 1 1 15 20 19 o 69.251  2.0413 47.827   1.9579  67.813  2.5540 70.689  3.1851 -2.876068      4.082664 
1 1 1 15 20 21 o 65.526  2.5528 43.879   2.3035  71.749  3.0577 59.303  4.0888 12.44565       5.105612 
1 1 1 15 20 23 o 183.576 1.9417 336.279  4.6794  185.480 3.2682 181.673 2.0974 3.806656       3.883325 
1 1 1 15 20 25 o 90.230  2.2429 82.086   2.5208  89.573  3.9316 90.887  2.1597 -1.313507      4.485735 
1 1 1 15 20 27 o 79.761  3.5068 62.981   3.7775  74.194  4.2019 85.329  5.6157 -11.13506      7.013679 
1 1 1 15 20 29 o 57.448  3.9502 33.640   3.1914  57.268  5.2421 57.628  5.9107 -0.3593063     7.900387 
1 1 1 15 20 31 o 32.707  6.8896 11.866   3.3854  33.861  8.3872 31.553  10.933 2.308493       13.77918 
1 1 1 15 20 33 f 25.058  7.1940 3.6840   4.1149  26.617  9.7670 23.498  10.565 3.118935       14.38800 
1 1 1 15 20 35 o 17.558  5.8582 -5.4972  3.6047  15.235  7.2855 19.882  9.1757 -4.647182      11.71630 
1 1 1 15 20 37 o 17.068  5.5471 -3.2041  3.2237  14.942  7.2514 19.193  8.3964 -4.251260      11.09426 
1 1 1 15 20 39 o 23.972  7.0251 5.7695   4.3167  27.403  10.218 20.540  9.6435 6.863132       14.05022 
1 1 1 15 20 41 o 25.678  6.8087 8.3514   3.8603  33.291  10.709 18.064  8.4115 15.22784       13.61739 
1 1 1 15 21 0  o 190.316 2.4884 362.559  9.4681  190.316 2.4884 ?       ?      0.000000       0.000000 
1 1 1 15 21 2  f 38.355  3.5649 14.719   1.9233  39.398  5.2753 37.313  4.7965 2.085106       7.129880 
1 1 1 15 21 4  o 111.445 1.7789 123.634  2.7640  108.374 2.2907 114.515 2.7224 -6.140610      3.557881 
1 1 1 15 21 6  f 83.674  1.9051 70.145   2.2516  81.293  2.7697 86.054  2.6164 -4.760773      3.810103 
1 1 1 15 21 8  o 146.796 1.7242 215.688  3.5794  146.718 2.4397 146.875 2.4370 -0.1573181     3.448344 
1 1 1 15 21 10 f 239.277 2.0484 573.557  6.9260  241.286 2.8234 237.269 2.9685 4.016663       4.096769 
1 1 1 15 21 12 o 218.908 1.8117 480.260  5.5947  221.791 2.4468 216.025 2.6725 5.765701       3.623415 
1 1 1 15 21 14 o 140.701 1.6131 198.440  3.2018  143.167 2.1776 138.235 2.3805 4.932419       3.226256 
1 1 1 15 21 16 o 37.593  3.7580 14.170   1.9813  33.850  5.4577 41.335  5.1677 -7.485531      7.516099 
1 1 1 15 21 18 o 98.076  1.9998 96.418   2.7663  98.144  2.7059 98.008  2.9453 0.1366959      3.999575 
1 1 1 15 21 20 o 99.395  1.9160 99.031   2.6818  106.271 2.6076 92.519  2.8080 13.75245       3.832064 
1 1 1 15 21 22 o 123.662 1.7011 153.181  2.9662  122.859 2.3025 124.466 2.5047 -1.606636      3.402271 
1 1 1 15 21 24 o 82.359  2.6007 68.592   2.6268  81.609  4.5982 83.109  2.4313 -1.499878      5.201448 
1 1 1 15 21 26 o 76.334  2.8666 59.303   2.5125  75.323  5.2119 77.344  2.3886 -2.020805      5.733206 
1 1 1 15 21 28 o 82.203  2.8355 68.237   3.2745  81.738  3.7435 82.668  4.2600 -0.9308548     5.671065 
1 1 1 15 21 30 o 18.954  6.0531 -1.9348  3.1709  17.083  7.5175 20.825  9.4893 -3.741646      12.10616 
1 1 1 15 21 32 o 73.311  3.1720 55.475   3.2494  75.912  4.0307 70.709  4.8989 5.203293       6.343940 
1 1 1 15 21 34 o 23.086  6.8235 2.7461   3.5355  17.834  7.9501 28.338  11.092 -10.50441      13.64698 
1 1 1 15 21 36 o 34.138  6.4252 15.114   3.1585  35.447  8.4200 32.829  9.7075 2.618717       12.85039 
1 1 1 15 21 38 o 22.586  6.7094 5.3203   3.6807  23.420  9.2878 21.753  9.6851 1.667122       13.41880 
1 1 1 15 21 40 o 18.797  6.1563 0.3481   3.8258  17.092  8.0135 20.502  9.3479 -3.410089      12.31257 
1 1 1 15 22 1  o 229.747 1.8747 528.388  6.0895  230.283 2.6825 229.210 2.6195 1.073273       3.749346 
1 1 1 15 22 3  f 270.821 2.4113 731.295  9.0707  276.600 3.7361 265.042 3.0495 11.55826       4.822674 
1 1 1 15 22 5  o 251.126 2.0645 631.453  7.3302  252.867 2.9452 249.385 2.8937 3.482864       4.128916 
1 1 1 15 22 7  f 18.820  5.2774 1.1334   2.1695  14.800  6.5779 22.840  8.2543 -8.039697      10.55474 
1 1 1 15 22 9  o 216.352 1.8210 468.671  5.5710  218.926 2.5580 213.778 2.5925 5.147324       3.642038 
1 1 1 15 22 11 f 94.517  1.9026 89.543   2.5402  97.113  2.6157 91.921  2.7635 5.191895       3.805104 
1 1 1 15 22 13 o 37.437  4.6256 15.560   2.2456  47.328  4.5134 27.547  8.0755 19.78089       9.251167 
1 1 1 15 22 15 f 62.727  2.5063 39.495   2.2223  63.098  3.4769 62.356  3.6108 0.7421417      5.012659 
1 1 1 15 22 17 o 80.858  2.0267 65.598   2.3078  86.208  2.7457 75.507  2.9819 10.70079       4.053489 
1 1 1 15 22 19 o 61.000  2.4193 37.377   2.0639  61.256  3.1102 60.744  3.7067 0.5119019      4.838653 
1 1 1 15 22 21 o 193.516 1.8458 375.496  5.0501  191.855 2.5879 195.177 2.6326 -3.321930      3.691558 
1 1 1 15 22 23 o 97.507  2.0107 95.470   2.7699  94.200  2.8805 100.814 2.8060 -6.613434      4.021326 
1 1 1 15 22 25 o 23.660  6.0228 3.5720   2.3043  32.353  10.223 14.966  6.3712 17.38708       12.04569 
1 1 1 15 22 27 o 79.789  2.6529 64.963   2.3815  78.443  4.8575 81.135  2.1347 -2.692146      5.305818 
1 1 1 15 22 29 o 59.320  4.2821 35.631   3.4861  53.720  5.4809 64.921  6.5806 -11.20039      8.564173 
1 1 1 15 22 31 f 20.490  6.0975 -0.4234  3.3356  23.704  9.0618 17.276  8.1611 6.428322       12.19510 
1 1 1 15 22 33 o 21.828  6.6886 1.5079   3.6914  21.180  8.7449 22.475  10.123 -1.295023      13.37728 
1 1 1 15 22 35 o 22.851  6.6947 5.0279   3.5503  23.338  9.5265 22.365  9.4085 0.9729328      13.38933 
1 1 1 15 22 37 o 35.795  6.9415 19.006   3.8826  42.486  8.0380 29.104  11.319 13.38147       13.88305 
1 1 1 15 22 39 o 30.746  7.8239 16.777   4.2898  30.012  10.396 31.480  11.696 -1.467569      15.64774 
1 1 1 15 23 0  o 204.838 2.6221 420.060  10.738  204.838 2.6221 ?       ?      0.000000       0.000000 
1 1 1 15 23 2  o 160.644 1.7179 258.558  3.8967  166.555 2.3571 154.734 2.4998 11.82100       3.435820 
1 1 1 15 23 4  o 176.775 1.8179 313.407  4.5230  179.577 2.4112 173.973 2.7211 5.604446       3.635708 
1 1 1 15 23 6  o 151.319 1.9010 228.630  4.0535  156.035 2.7750 146.602 2.5991 9.432709       3.802065 
1 1 1 15 23 8  f 168.588 1.8051 284.523  4.2916  169.552 2.6559 167.625 2.4453 1.927002       3.610187 
1 1 1 15 23 10 o 138.784 1.6473 192.852  3.2320  138.143 2.2985 139.425 2.3602 -1.282654      3.294532 
1 1 1 15 23 12 o 49.232  3.1473 25.351   2.0527  55.123  3.3515 43.342  5.3281 11.78178       6.294531 
1 1 1 15 23 14 o 73.988  2.1509 54.754   2.2456  71.267  2.9973 76.710  3.0857 -5.442093      4.301779 
1 1 1 15 23 16 o 111.370 1.8534 124.378  2.9129  110.146 2.7256 112.595 2.5124 -2.449654      3.706885 
1 1 1 15 23 18 o 163.173 1.9012 266.836  4.3846  160.461 2.6625 165.885 2.7146 -5.424789      3.802326 
1 1 1 15 23 20 o 65.869  2.4562 44.065   2.2279  68.579  2.9464 63.158  3.9306 5.421368       4.912321 
1 1 1 15 23 22 o 43.130  3.4893 18.745   2.0404  42.368  4.0879 43.891  5.6560 -1.523258      6.978631 
1 1 1 15 23 24 o 19.230  4.8316 2.5195   1.8612  22.496  6.5399 15.964  7.1139 6.531960       9.663280 
1 1 1 15 23 26 o 73.473  2.5958 54.221   2.4590  74.192  4.4354 72.753  2.6980 1.438820       5.191581 
1 1 1 15 23 28 o 21.608  5.2036 4.4611   1.7635  24.304  8.3022 18.913  6.2758 5.391708       10.40730 
1 1 1 15 23 30 o 22.315  7.2095 -1.6642  4.2591  18.017  8.1710 26.613  11.880 -8.595507      14.41892 
1 1 1 15 23 32 f 45.610  6.6820 25.981   3.9339  53.233  6.0733 37.987  11.904 15.24623       13.36395 
1 1 1 15 23 34 o 24.229  7.2938 5.7975   4.3117  23.223  9.7355 25.235  10.864 -2.012127      14.58764 
1 1 1 15 23 36 o 36.041  7.3453 18.886   3.8786  33.300  9.6633 38.781  11.065 -5.480343      14.69058 
1 1 1 15 23 38 o 23.339  7.1209 7.5217   4.1206  20.772  9.0481 25.905  10.998 -5.132805      14.24172 
1 1 1 15 24 1  o 15.390  4.7857 -1.0969  2.0206  15.028  6.6772 15.752  6.8575 -0.7243080     9.571330 
1 1 1 15 24 3  o 102.535 1.9220 105.606  2.7699  94.741  2.8640 110.330 2.5640 -15.58844      3.844074 
1 1 1 15 24 5  o 177.614 2.1306 314.761  5.2714  173.663 2.7260 181.565 3.2751 -7.901489      4.261139 
1 1 1 15 24 7  o 191.027 2.0946 365.771  5.6554  190.765 2.9053 191.290 3.0181 -0.5252838     4.189207 
1 1 1 15 24 9  o 80.970  2.2255 65.909   2.5389  83.542  2.9716 78.398  3.3138 5.144218       4.451015 
1 1 1 15 24 11 o 82.662  2.2243 68.560   2.5967  81.784  3.2472 83.540  3.0407 -1.756256      4.448617 
1 1 1 15 24 13 o 90.172  2.1308 81.533   2.7122  94.296  2.9388 86.047  3.0863 8.249214       4.261664 
1 1 1 15 24 15 o 117.960 1.8150 138.676  3.0087  112.576 2.4616 123.344 2.6679 -10.76791      3.630061 
1 1 1 15 24 17 o 159.012 1.9242 252.760  4.3107  153.092 2.6398 164.932 2.8003 -11.83990      3.848374 
1 1 1 15 24 19 o 167.126 1.9907 280.396  4.7036  164.168 2.8133 170.083 2.8173 -5.915604      3.981469 
1 1 1 15 24 21 o 92.759  2.2004 86.441   2.8820  89.110  3.1098 96.408  3.1139 -7.297852      4.400851 
1 1 1 15 24 23 o 143.250 1.8950 206.051  3.8372  141.552 2.6510 144.948 2.7084 -3.396484      3.789920 
1 1 1 15 24 25 o 81.165  2.4617 64.879   2.5354  77.583  2.5301 84.746  4.2237 -7.163437      4.923472 
1 1 1 15 24 27 o 63.900  5.7352 46.037   2.7924  58.988  11.172 68.812  2.6009 -9.824299      11.47049 
1 1 1 15 24 29 o 84.522  3.9846 75.377   4.4562  87.323  4.2974 81.722  6.7113 5.600845       7.969233 
1 1 1 15 24 31 f 27.357  6.8923 6.9798   3.9425  33.720  9.9449 20.993  9.5453 12.72737       13.78458 
1 1 1 15 24 33 o 23.470  6.8717 5.5134   3.5181  20.416  8.5109 26.525  10.791 -6.109413      13.74335 
1 1 1 15 24 35 o 19.594  6.6461 -3.0269  4.7177  17.148  8.0995 22.039  10.540 -4.891647      13.29225 
1 1 1 15 24 37 o 30.026  7.6990 13.998   4.1296  21.006  8.9370 39.046  12.539 -18.04031      15.39801 
1 1 1 15 25 0  o 67.160  3.7203 45.609   4.9650  67.160  3.7203 ?       ?      0.000000       0.000000 
1 1 1 15 25 2  o 36.283  4.9083 14.226   2.3788  30.017  8.3535 42.548  5.1561 -12.53079      9.816597 
1 1 1 15 25 4  o 84.715  2.1906 71.615   2.6113  80.951  2.9954 88.479  3.1972 -7.528427      4.381150 
1 1 1 15 25 6  o 135.304 1.9007 183.327  3.6335  133.606 2.6359 137.002 2.7391 -3.396011      3.801364 
1 1 1 15 25 8  o 54.155  3.1462 30.160   2.3292  59.716  3.6738 48.594  5.1086 11.12178       6.292439 
1 1 1 15 25 10 o 68.406  3.0824 47.404   2.9160  70.638  3.7596 66.174  4.8856 4.464119       6.164711 
1 1 1 15 25 12 o 69.607  2.4656 48.660   2.4193  69.498  3.3228 69.717  3.6436 -0.2192688     4.931248 
1 1 1 15 25 14 o 61.378  2.7864 38.049   2.3677  62.315  3.4279 60.441  4.3938 1.873959       5.572814 
1 1 1 15 25 16 o 33.984  4.8132 12.002   2.2713  29.611  7.2599 38.358  6.3214 -8.746649      9.626317 
1 1 1 15 25 18 o 112.213 2.0186 126.877  3.1375  113.609 2.4900 110.816 3.1779 2.793144       4.037262 
1 1 1 15 25 20 o 124.025 1.8106 154.391  3.1711  122.927 2.4891 125.122 2.6300 -2.195801      3.621155 
1 1 1 15 25 22 o 109.358 2.1085 120.169  3.2555  106.697 2.9219 112.020 3.0407 -5.322853      4.217032 
1 1 1 15 25 24 o 104.610 2.2691 109.405  3.2678  100.692 2.8095 108.528 3.5641 -7.836121      4.538281 
1 1 1 15 25 26 o 96.674  2.0989 92.365   2.6298  92.325  2.2511 101.022 3.5432 -8.696800      4.197822 
1 1 1 15 25 28 o 44.076  3.5818 19.653   2.0100  46.181  6.1257 41.972  3.7138 4.208824       7.163558 
1 1 1 15 25 30 o 90.001  3.1370 84.405   3.9835  93.529  4.2592 86.472  4.6067 7.056129       6.273921 
1 1 1 15 25 32 o 17.972  6.0207 -4.1811  3.8640  16.835  7.7956 19.109  9.1773 -2.274899      12.04138 
1 1 1 15 25 34 o 21.852  6.3555 4.8928   3.2320  23.856  9.2720 19.847  8.6947 4.009680       12.71097 
1 1 1 15 25 36 o 20.348  6.7058 0.7652   4.7142  20.431  9.2147 20.266  9.7448 0.1656132      13.41165 
1 1 1 15 26 1  o 53.576  3.2175 29.181   2.3677  51.333  5.1734 55.819  3.8268 -4.485943      6.434989 
1 1 1 15 26 3  o 89.719  2.0934 80.671   2.6544  87.246  2.9777 92.191  2.9433 -4.944542      4.186838 
1 1 1 15 26 5  o 160.752 1.9588 259.389  4.4446  156.653 2.8746 164.852 2.6616 -8.198624      3.917550 
1 1 1 15 26 7  o 142.162 1.8236 202.588  3.6658  141.936 2.6032 142.388 2.5544 -0.4520416     3.647115 
1 1 1 15 26 9  o 125.627 1.9174 157.894  3.3905  122.918 2.5833 128.337 2.8341 -5.418816      3.834718 
1 1 1 15 26 11 o 84.805  2.3577 72.073   2.8183  82.278  3.2277 87.332  3.4375 -5.054550      4.715379 
1 1 1 15 26 13 o 68.653  2.6949 47.687   2.5864  70.579  3.4355 66.728  4.1529 3.850655       5.389766 
1 1 1 15 26 15 o 32.367  5.3767 11.258   2.4248  33.992  7.3419 30.743  7.8569 3.248585       10.75336 
1 1 1 15 26 17 o 114.498 2.0580 132.208  3.3173  118.397 2.7306 110.599 3.0798 7.798004       4.115992 
1 1 1 15 26 19 o 154.919 2.0815 241.181  4.5579  157.413 2.9707 152.425 2.9164 4.987900       4.163027 
1 1 1 15 26 21 o 144.389 2.1080 209.711  4.2854  142.951 2.8270 145.827 3.1276 -2.876190      4.215909 
1 1 1 15 26 23 o 29.904  5.5838 9.3361   2.2873  24.882  7.0834 34.926  8.6336 -10.04409      11.16754 
1 1 1 15 26 25 o 15.634  5.0137 -2.0902  2.2450  14.885  6.3550 16.384  7.7566 -1.498766      10.02747 
1 1 1 15 26 27 o 22.400  5.6074 4.8705   2.0574  18.517  6.7349 26.282  8.9674 -7.764673      11.21484 
1 1 1 15 26 29 o 22.757  5.6023 5.3966   2.0729  22.463  9.2493 23.050  6.3240 -0.5870533     11.20458 
1 1 1 15 26 31 o 19.464  6.2598 -0.2169  3.6389  18.525  8.1966 20.403  9.4635 -1.877403      12.51968 
1 1 1 15 26 33 o 29.818  8.0002 14.166   4.5306  29.193  10.296 30.443  12.247 -1.250635      16.00032 
1 1 1 15 27 0  o 30.010  10.134 11.777   5.4268  30.010  10.134 ?       ?      0.000000       0.000000 
1 1 1 15 27 2  o 67.196  3.0032 45.783   2.8277  62.933  4.5868 71.459  3.8780 -8.525921      6.006476 
1 1 1 15 27 4  o 80.628  2.4621 65.424   2.7926  79.747  3.6921 81.509  3.2582 -1.761375      4.924144 
1 1 1 15 27 6  o 153.781 1.9377 237.117  4.2113  150.491 2.7237 157.070 2.7567 -6.578827      3.875312 
1 1 1 15 27 8  o 246.484 2.2113 610.286  7.7020  247.811 3.1917 245.156 3.0614 2.655258       4.422549 
1 1 1 15 27 10 o 217.516 2.0086 475.112  6.1725  216.866 2.7686 218.166 2.9109 -1.300598      4.017260 
1 1 1 15 27 12 o 37.352  5.4270 14.971   2.7854  41.267  6.2955 33.437  8.8418 7.830036       10.85402 
1 1 1 15 27 14 f 53.112  3.4136 28.808   2.5402  57.297  4.4334 48.927  5.1918 8.369801       6.827170 
1 1 1 15 27 16 f 102.941 2.1406 106.259  3.1079  98.207  2.9981 107.675 3.0562 -9.468262      4.281208 
1 1 1 15 27 18 o 119.656 2.0988 144.179  3.5503  120.748 2.9165 118.564 3.0190 2.184349       4.197654 
1 1 1 15 27 20 o 75.136  2.7487 57.284   2.9015  74.794  3.6279 75.479  4.1303 -0.6850891     5.497372 
1 1 1 15 27 22 o 21.136  5.4679 3.3318   2.3371  24.300  7.5376 17.972  7.9231 6.328465       10.93576 
1 1 1 15 27 24 o 34.833  5.6465 13.231   2.4114  35.149  5.0917 34.517  10.080 0.6320038      11.29297 
1 1 1 15 27 26 o 47.959  3.9206 24.244   2.3975  48.165  3.9555 47.752  6.7704 0.4129677      7.841140 
1 1 1 15 27 28 o 25.446  5.9970 7.6784   2.3815  23.406  7.3309 27.487  9.4927 -4.080912      11.99396 
1 1 1 15 27 30 o 25.121  4.9865 7.4901   2.0275  19.867  8.7683 30.375  4.7517 -10.50709      9.973033 
1 1 1 15 27 32 o 18.098  6.0808 -2.6889  3.9582  16.795  7.8118 19.401  9.3209 -2.605713      12.16161 
1 1 1 15 28 1  o 69.633  2.8176 48.916   2.7663  69.948  3.7967 69.318  4.1643 0.6294098      5.635240 
1 1 1 15 28 3  o 132.541 1.8327 176.315  3.4348  132.494 2.6144 132.589 2.5690 -0.9527588E-01 3.665369 
1 1 1 15 28 5  o 47.301  4.3704 23.222   2.8435  43.570  7.0227 51.032  5.2040 -7.461414      8.740735 
1 1 1 15 28 7  o 25.221  5.9162 6.2418   2.4610  22.456  7.9700 27.985  8.7456 -5.528881      11.83243 
1 1 1 15 28 9  o 18.368  5.6216 -0.9505  2.7274  15.540  7.1327 21.195  8.6911 -5.655620      11.24326 
1 1 1 15 28 11 o 43.383  4.3285 19.283   2.6557  43.383  6.1214 43.383  6.1214 0.000000       8.657039 
1 1 1 15 28 13 o 33.914  6.0962 12.610   3.0500  28.068  9.5865 39.760  7.5335 -11.69250      12.19240 
1 1 1 15 28 15 o 74.677  2.6242 56.255   2.7663  71.386  3.7202 77.969  3.7023 -6.583221      5.248477 
1 1 1 15 28 17 o 75.421  3.0300 57.685   3.2237  72.045  4.2471 78.797  4.3227 -6.752388      6.060012 
1 1 1 15 28 19 o 106.117 2.4235 113.702  3.6225  103.831 3.2805 108.402 3.5683 -4.570908      4.847087 
1 1 1 15 28 21 o 56.527  3.6055 32.622   2.8300  53.176  4.6684 59.878  5.4957 -6.702068      7.210922 
1 1 1 15 28 23 o 29.035  6.0341 9.6846   2.5980  30.634  6.9436 27.437  9.8707 3.197594       12.06829 
1 1 1 15 28 25 o 18.818  5.4745 0.2417   2.3200  12.006  5.6974 25.631  9.3500 -13.62469      10.94904 
1 1 1 15 28 27 o 25.442  5.3654 7.8906   2.1924  29.121  6.3230 21.763  8.6699 7.357512       10.73071 
1 1 1 15 28 29 o 19.216  5.3459 3.2825   2.1155  19.896  6.6565 18.537  8.3669 1.358875       10.69180 
1 1 1 15 28 31 o 20.911  6.7166 3.8554   4.2577  20.128  8.9830 21.694  9.9879 -1.566744      13.43324 
1 1 1 15 29 0  o 82.817  4.2057 69.510   6.9279  82.817  4.2057 ?       ?      0.000000       0.000000 
1 1 1 15 29 2  o 62.946  3.2773 40.189   2.9129  63.156  4.4792 62.736  4.7853 0.4196358      6.554560 
1 1 1 15 29 4  o 38.805  5.3446 16.081   2.8242  38.070  7.3913 39.540  7.7220 -1.470226      10.68922 
1 1 1 15 29 6  o 30.316  5.9280 9.7231   2.7699  24.356  8.7388 36.276  8.0126 -11.92002      11.85610 
1 1 1 15 29 8  o 42.131  4.9446 18.642   2.8551  44.542  6.2214 39.720  7.6870 4.821915       9.889183 
1 1 1 15 29 10 o 16.109  5.1921 -3.0503  2.6189  16.532  7.5352 15.687  7.1452 0.8451042      10.38429 
1 1 1 15 29 12 o 56.999  3.5396 33.326   2.8242  59.829  4.5353 54.169  5.4355 5.660484       7.079113 
1 1 1 15 29 14 o 24.749  5.8557 4.3865   2.9398  32.112  8.6248 17.385  7.9226 14.72691       11.71132 
1 1 1 15 29 16 o 28.034  5.9533 8.3034   2.6444  22.906  8.3447 33.163  8.4930 -10.25673      11.90655 
1 1 1 15 29 18 o 69.269  2.6494 49.280   2.5350  58.867  4.1191 79.672  3.3333 -20.80506      5.298812 
1 1 1 15 29 20 o 67.241  2.8865 46.271   2.7347  62.826  4.1352 71.656  4.0284 -8.830723      5.773026 
1 1 1 15 29 22 o 66.475  3.1241 45.201   2.8889  61.742  4.1143 71.208  4.7024 -9.466202      6.248151 
1 1 1 15 29 24 o 49.963  3.9565 26.581   2.5058  49.256  3.9851 50.669  6.8364 -1.413109      7.913094 
1 1 1 15 29 26 o 18.460  5.8150 1.0538   2.5895  15.380  6.6765 21.539  9.5227 -6.159500      11.63000 
1 1 1 15 29 28 o 18.369  5.6441 1.7571   2.4436  14.517  6.4654 22.221  9.2532 -7.704082      11.28816 
1 1 1 15 29 30 o 34.635  6.5079 17.493   3.2555  37.455  9.1581 31.816  9.2488 5.639164       13.01577 
1 1 1 15 30 1  o 33.572  6.0500 12.277   2.8855  32.242  8.6091 34.902  8.5026 -2.660458      12.10004 
1 1 1 15 30 3  o 29.279  6.3760 9.1331   2.9152  30.785  8.8836 27.772  9.1485 3.013172       12.75204 
1 1 1 15 30 5  o 43.482  4.6106 19.530   2.8277  41.187  6.7282 45.777  6.3058 -4.589642      9.221267 
1 1 1 15 30 7  o 133.785 2.1855 180.509  4.1228  132.110 3.2338 135.460 2.9408 -3.349823      4.370996 
1 1 1 15 30 9  o 186.360 2.0045 349.755  5.2823  184.152 2.8529 188.568 2.8167 -4.415619      4.009073 
1 1 1 15 30 11 o 179.396 1.8674 323.856  4.7164  177.531 2.5040 181.262 2.7710 -3.730286      3.734743 
1 1 1 15 30 13 o 129.764 2.0922 169.518  3.8216  126.975 2.8190 132.552 3.0924 -5.577522      4.184416 
1 1 1 15 30 15 o 118.820 2.2804 143.636  3.7963  115.926 3.4861 121.714 2.9408 -5.787666      4.560827 
1 1 1 15 30 17 o 54.092  4.6150 31.130   3.2835  54.835  4.9484 53.350  7.7915 1.484978       9.230037 
1 1 1 15 30 19 o 60.172  3.7446 38.166   3.1711  61.724  4.9572 58.620  5.6137 3.104317       7.489138 
1 1 1 15 30 21 o 40.958  5.2299 19.211   2.9129  45.575  6.2070 36.341  8.4191 9.234402       10.45988 
1 1 1 15 30 23 o 24.457  6.4611 7.0508   2.9237  24.553  8.1021 24.361  10.067 0.1927395      12.92217 
1 1 1 15 30 25 o 32.244  6.1252 13.421   2.6352  34.584  5.5089 29.905  10.942 4.678919       12.25031 
1 1 1 15 30 27 o 16.910  5.4799 0.1237   2.5273  14.014  6.3438 19.805  8.9373 -5.790244      10.95987 
1 1 1 15 31 0  o 23.184  12.042 8.5444   7.1588  23.184  12.042 ?       ?      0.000000       0.000000 
1 1 1 15 31 2  o 26.152  6.4297 6.6673   3.0285  22.811  9.0971 29.493  9.0888 -6.681757      12.85937 
1 1 1 15 31 4  o 65.837  3.1921 44.204   2.9662  63.802  4.4338 67.872  4.5933 -4.069069      6.384130 
1 1 1 15 31 6  o 126.704 2.1424 161.998  3.8372  124.727 3.0087 128.682 3.0508 -3.955124      4.284762 
1 1 1 15 31 8  o 79.544  2.7729 64.551   3.0560  81.125  3.4159 77.962  4.3691 3.163216       5.545888 
1 1 1 15 31 10 o 60.193  4.0712 37.765   3.4601  62.791  5.7005 57.594  5.8139 5.197033       8.142324 
1 1 1 15 31 12 o 41.412  5.2123 18.932   2.8923  37.756  8.5995 45.068  5.8926 -7.311779      10.42468 
1 1 1 15 31 14 o 45.078  4.9083 22.046   3.0175  39.118  7.4992 51.038  6.3345 -11.92004      9.816519 
1 1 1 15 31 16 o 98.291  2.6731 99.428   3.6940  91.224  3.9870 105.358 3.5618 -14.13355      5.346273 
1 1 1 15 31 18 o 101.684 2.5707 106.027  3.6867  96.081  3.6653 107.286 3.6054 -11.20531      5.141325 
1 1 1 15 31 20 o 70.017  3.1474 52.255   3.0884  65.031  4.7940 75.003  4.0796 -9.972488      6.294853 
1 1 1 15 31 22 o 31.051  6.6805 12.899   3.1670  31.484  8.5726 30.618  10.248 0.8661442      13.36110 
1 1 1 15 31 24 o 17.813  5.7325 -0.1471  2.9030  14.400  6.7161 21.226  9.2920 -6.825708      11.46505 
1 1 1 15 31 26 o 13.209  4.6453 -7.2030  2.7225  10.625  5.2741 15.793  7.6485 -5.167630      9.290640 
1 1 1 15 32 1  o 30.956  6.1067 10.414   3.0500  22.500  8.8208 39.412  8.4473 -16.91222      12.21330 
1 1 1 15 32 3  o 98.491  2.5502 98.741   3.5503  97.304  3.6786 99.677  3.5331 -2.372803      5.100431 
1 1 1 15 32 5  o 116.451 2.2795 137.518  3.7526  114.567 3.2755 118.335 3.1712 -3.767822      4.559066 
1 1 1 15 32 7  o 59.795  3.8406 37.292   3.2320  62.396  5.0889 57.194  5.7536 5.201698       7.681259 
1 1 1 15 32 9  o 40.894  5.6935 18.844   3.1658  41.414  8.3782 40.374  7.7116 1.039742       11.38695 
1 1 1 15 32 11 o 27.490  6.7826 8.4739   3.2616  29.152  9.6717 25.827  9.5118 3.324892       13.56523 
1 1 1 15 32 13 o 17.661  5.6564 -1.9802  3.0560  18.049  7.9425 17.272  8.0559 0.7766876      11.31283 
1 1 1 15 32 15 f 24.569  6.4880 6.4451   2.9845  23.505  8.6242 25.634  9.6952 -2.128834      12.97592 
1 1 1 15 32 17 o 15.046  5.1111 -6.5888  3.1711  13.966  6.8035 16.125  7.6293 -2.159216      10.22229 
1 1 1 15 32 19 o 32.498  7.3251 14.859   3.9046  29.201  10.841 35.795  9.8545 -6.593847      14.65022 
1 1 1 15 32 21 o 36.226  6.8024 18.029   3.4470  34.388  8.5805 38.063  10.558 -3.675121      13.60484 
1 1 1 15 32 23 o 29.981  6.4083 12.041   2.7375  24.360  7.7807 35.603  10.185 -11.24367      12.81662 
1 1 1 15 33 0  o 12.773  8.8516 -3.8103  7.2743  12.773  8.8516 ?       ?      0.000000       0.000000 
1 1 1 15 33 2  f 29.419  5.8439 8.9803   3.0884  39.675  8.1376 19.162  8.3896 20.51276       11.68785 
1 1 1 15 33 4  o 37.382  6.4713 16.809   3.4907  31.150  10.084 43.613  8.1131 -12.46334      12.94269 
1 1 1 15 33 6  f 64.897  3.4939 44.008   3.2018  67.664  4.8633 62.130  5.0178 5.534077       6.987843 
1 1 1 15 33 8  o 21.283  6.2474 2.8704   3.0819  20.675  8.6059 21.890  9.0587 -1.214455      12.49488 
1 1 1 15 33 10 o 41.731  5.3277 19.716   3.0500  42.980  6.7162 40.481  8.2724 2.499104       10.65547 
1 1 1 15 33 12 o 30.830  6.4679 11.947   3.0175  28.710  8.9212 32.951  9.3673 -4.240602      12.93579 
1 1 1 15 33 14 o 44.016  5.4180 23.256   3.2289  51.729  6.4731 36.304  8.6901 15.42563       10.83595 
1 1 1 15 33 16 o 45.937  4.8060 24.190   3.1175  47.382  6.5796 44.492  7.0070 2.890579       9.611918 
1 1 1 15 33 18 f 82.075  3.2368 72.718   3.7517  78.904  4.6827 85.246  4.4698 -6.341667      6.473552 
1 1 1 15 33 20 o 39.676  7.8772 24.762   4.4200  37.395  13.319 41.958  8.4149 -4.562954      15.75444 
1 1 1 15 33 22 o 15.360  5.3026 -4.8495  3.1560  13.222  6.3289 17.498  8.5096 -4.276114      10.60512 
1 1 1 15 34 1  o 48.785  5.1257 27.006   3.3771  43.039  8.2087 54.531  6.1405 -11.49130      10.25132 
1 1 1 15 34 3  o 52.454  4.5919 30.194   3.4062  52.179  6.5279 52.730  6.4598 -0.5503044     9.183794 
1 1 1 15 34 5  o 27.812  6.4895 9.3973   3.0555  31.919  9.3518 23.705  8.9999 8.214071       12.97897 
1 1 1 15 34 7  o 16.933  5.5761 -3.2938  3.2816  17.599  8.0137 16.268  7.7557 1.330898       11.15218 
1 1 1 15 34 9  o 21.723  6.3420 4.1370   3.2039  19.801  8.6079 23.645  9.3159 -3.843395      12.68390 
1 1 1 15 34 11 o 22.221  6.5347 4.2644   3.4329  19.999  8.7659 24.443  9.6936 -4.443876      13.06931 
1 1 1 15 34 13 f 20.396  5.9145 0.8348   3.2555  14.888  7.2334 25.903  9.3597 -11.01552      11.82904 
1 1 1 15 34 15 o 49.221  4.8072 28.351   3.3325  46.475  6.7080 51.968  6.8877 -5.493427      9.614460 
1 1 1 15 34 17 o 67.537  3.1436 49.138   2.9743  65.469  4.1446 69.605  4.7277 -4.136200      6.287240 
1 1 1 15 34 19 o 40.266  6.1611 22.939   3.6289  28.516  9.9084 52.016  7.3253 -23.49940      12.32224 
1 1 1 15 35 0  o 15.792  10.143 2.5402   7.0433  15.792  10.143 ?       ?      0.000000       0.000000 
1 1 1 15 35 2  o 25.896  6.6904 7.9772   3.2411  20.971  8.6033 30.820  10.248 -9.849417      13.38084 
1 1 1 15 35 4  o 21.567  6.3779 3.8954   3.2897  22.764  9.1891 20.370  8.8472 2.394247       12.75586 
1 1 1 15 35 6  f 33.868  6.6665 15.387   3.3133  31.692  9.3731 36.043  9.4823 -4.350780      13.33301 
1 1 1 15 35 8  f 32.226  6.3675 14.229   3.1976  26.390  9.6839 38.061  8.2707 -11.67015      12.73507 
1 1 1 15 35 10 f 70.208  3.5575 54.106   3.5179  71.908  4.7369 68.508  5.3091 3.400337       7.115061 
1 1 1 15 35 12 o 58.320  4.6549 39.501   3.8286  55.261  6.5817 61.378  6.5842 -6.116894      9.309731 
1 1 1 15 35 14 o 17.504  5.8053 -1.3599  3.6362  16.442  7.8496 18.566  8.5551 -2.123861      11.61062 
1 1 1 15 35 16 o 23.862  6.0901 7.0113   3.0908  29.437  8.8764 18.288  8.3405 11.14927       12.18012 
1 1 1 15 36 1  f 28.754  6.8259 11.615   3.3712  32.930  9.8987 24.577  9.4015 8.352438       13.65184 
1 1 1 15 36 3  o 36.542  6.7125 19.086   3.6967  29.719  10.665 43.364  8.1545 -13.64498      13.42497 
1 1 1 15 36 5  o 20.068  6.0046 2.6300   3.1133  22.925  8.9939 17.212  7.9581 5.713194       12.00920 
1 1 1 15 36 7  o 24.828  6.7289 8.4289   3.4639  21.263  9.1114 28.394  9.9043 -7.130793      13.45786 
1 1 1 15 36 9  f 16.705  5.5797 -2.8355  3.5207  18.570  8.4999 14.840  7.2309 3.730685       11.15947 
1 1 1 15 36 11 o 26.609  6.9820 11.053   3.4525  25.087  9.3217 28.130  10.397 -3.042448      13.96391 
1 1 1 15 37 0  o 11.210  7.8732 -3.5794  6.3506  11.210  7.8732 ?       ?      0.000000       0.000000 
1 1 1 15 37 2  o 35.694  6.8377 18.840   3.5390  33.063  9.5768 38.325  9.7622 -5.262360      13.67533 
1 1 1 15 37 4  o 27.473  7.3335 12.125   3.8967  27.216  10.375 27.730  10.367 -0.5136852     14.66691 
1 1 1 16 1  1  o 226.643 1.7673 516.180  5.6216  236.195 2.2976 217.089 2.6860 19.10606       3.534604 
1 1 1 16 1  3  o 972.807 5.6931 9473.13  76.402  973.204 6.9585 972.409 9.0124 0.7943726      11.38613 
1 1 1 16 1  5  o 825.657 5.0113 6824.05  56.712  826.443 6.0007 824.871 8.0278 1.571960       10.02264 
1 1 1 16 1  7  o 363.185 2.4458 1315.39  12.213  359.278 2.9728 367.093 3.8845 -7.814972      4.891520 
1 1 1 16 1  9  o 451.797 2.9443 2041.98  18.317  451.807 3.5779 451.787 4.6770 0.1986694E-01  5.888573 
1 1 1 16 1  11 o 306.423 2.1483 934.462  8.9143  301.961 2.5046 310.886 3.4912 -8.925476      4.296695 
1 1 1 16 1  13 o 268.279 2.4739 720.593  9.3013  266.872 3.7641 269.685 3.2111 -2.813049      4.947706 
1 1 1 16 1  15 f 433.468 3.4625 1873.85  19.918  429.708 3.8290 437.228 5.7702 -7.519806      6.925100 
1 1 1 16 1  17 o 97.551  1.4888 95.335   2.0491  94.769  2.1931 100.332 2.0139 -5.563667      2.977512 
1 1 1 16 1  19 o 171.141 1.4915 292.840  3.6062  177.195 2.0852 165.087 2.1332 12.10822       2.983067 
1 1 1 16 1  21 o 198.557 1.6546 393.719  4.6387  192.120 2.3139 204.994 2.3657 -12.87332      3.309138 
1 1 1 16 1  23 o 246.864 1.9463 610.550  6.7775  250.611 2.6262 243.117 2.8734 7.494278       3.892683 
1 1 1 16 1  25 o 148.354 1.4994 219.899  3.1398  151.347 2.1743 145.362 2.0652 5.985092       2.998806 
1 1 1 16 1  27 o 122.864 1.6216 151.518  2.6942  123.937 1.8633 121.791 2.6545 2.145668       3.243215 
1 1 1 16 1  29 o 121.779 1.6617 149.053  2.7865  123.690 2.0070 119.868 2.6490 3.822243       3.323436 
1 1 1 16 1  31 o 143.679 1.6682 204.788  3.2051  140.245 1.8936 147.113 2.7471 -6.868179      3.336472 
1 1 1 16 1  33 o 144.349 1.6325 207.676  3.2631  141.497 2.0401 147.201 2.5493 -5.703735      3.265084 
1 1 1 16 1  35 o 24.186  5.4086 5.8194   2.0784  25.604  6.6908 22.769  8.4997 2.834709       10.81715 
1 1 1 16 1  37 o 56.868  2.9251 32.296   2.2580  54.899  3.4703 58.837  4.7099 -3.938385      5.850282 
1 1 1 16 1  39 o 22.900  5.5924 4.9533   2.1982  23.682  7.1797 22.117  8.5763 1.565136       11.18487 
1 1 1 16 1  41 o 15.792  4.9432 -2.2276  2.3318  17.592  7.2707 13.992  6.6991 3.600661       9.886389 
1 1 1 16 1  43 o 27.492  5.9124 8.5882   2.4367  26.483  7.5048 28.501  9.1380 -2.018436      11.82475 
1 1 1 16 1  45 o 22.564  5.7628 4.7518   2.6011  16.098  7.1872 29.029  9.0101 -12.93016      11.52554 
1 1 1 16 1  47 o 20.014  6.0831 3.0506   3.0431  18.255  7.9469 21.773  9.2121 -3.517891      12.16622 
1 1 1 16 2  0  o 503.635 4.4829 2537.45  45.147  503.635 4.4829 ?       ?      0.000000       0.000000 
1 1 1 16 2  2  o 319.741 2.2090 1021.41  9.9663  323.982 3.2253 315.500 3.0193 8.482086       4.418018 
1 1 1 16 2  4  o 328.613 2.3343 1078.93  10.495  327.479 2.7854 329.747 3.7467 -2.267822      4.668684 
1 1 1 16 2  6  o 561.906 3.5902 3163.96  27.814  565.532 4.3692 558.279 5.6980 7.252441       7.180314 
1 1 1 16 2  8  o 208.525 1.7323 430.960  4.8495  203.532 1.9856 213.517 2.8391 -9.984619      3.464503 
1 1 1 16 2  10 o 345.242 2.2646 1192.30  11.055  346.622 3.1646 343.862 3.2404 2.760498       4.529291 
1 1 1 16 2  12 o 683.596 4.0435 4676.50  39.063  681.503 5.5995 685.688 5.8348 -4.185791      8.087006 
1 1 1 16 2  14 o 336.452 2.2204 1132.32  10.564  338.561 3.1547 334.343 3.1254 4.218323       4.440725 
1 1 1 16 2  16 o 18.021  4.3263 2.3704   1.4716  22.491  6.3792 13.551  5.8459 8.939970       8.652625 
1 1 1 16 2  18 o 212.107 1.6836 449.379  5.0435  217.943 2.4106 206.271 2.3510 11.67160       3.367225 
1 1 1 16 2  20 o 75.615  1.8323 57.729   1.9233  72.062  2.8841 79.167  2.2607 -7.105774      3.664536 
1 1 1 16 2  22 o 187.476 1.5784 351.275  4.1806  183.706 2.1999 191.245 2.2641 -7.539154      3.156795 
1 1 1 16 2  24 o 207.480 1.7018 430.339  4.9857  210.897 2.4637 204.064 2.3482 6.832748       3.403507 
1 1 1 16 2  26 o 294.314 2.2431 868.839  9.2433  297.297 2.8934 291.330 3.4283 5.967224       4.486116 
1 1 1 16 2  28 o 21.123  4.8076 3.9998   1.7590  24.190  5.9903 18.056  7.5212 6.134108       9.615252 
1 1 1 16 2  30 o 16.458  4.8082 0.7794   1.7590  15.903  6.2368 17.012  7.3197 -1.108913      9.616385 
1 1 1 16 2  32 o 85.256  1.9270 73.219   2.2187  86.572  2.2007 83.940  3.1638 2.631645       3.853905 
1 1 1 16 2  34 o 24.125  5.5222 5.5712   2.1650  25.849  6.6606 22.401  8.8100 3.447897       11.04445 
1 1 1 16 2  36 o 89.286  2.1250 81.277   2.6011  94.500  2.5048 84.073  3.4335 10.42688       4.250014 
1 1 1 16 2  38 o 56.500  2.9930 32.675   2.2950  58.832  3.4346 54.169  4.9026 4.662418       5.985954 
1 1 1 16 2  40 o 19.829  5.1932 1.8546   2.2779  23.993  7.4265 15.665  7.2613 8.327646       10.38647 
1 1 1 16 2  42 o 58.868  3.6471 35.973   2.8720  59.541  4.0724 58.194  6.0516 1.346569       7.294238 
1 1 1 16 2  44 o 18.979  5.7418 1.3333   2.7177  18.366  7.7860 19.591  8.4409 -1.225117      11.48353 
1 1 1 16 2  46 o 20.039  5.6594 2.4801   2.7663  24.549  8.6615 15.528  7.2865 9.020768       11.31879 
1 1 1 16 2  48 o 19.901  6.2478 3.1175   3.5217  20.132  8.8963 19.671  8.7748 0.4608555      12.49569 
1 1 1 16 3  1  o 222.373 1.6607 493.436  5.2119  214.793 2.3115 229.953 2.3851 -15.15996      3.321406 
1 1 1 16 3  3  o 775.703 4.4909 6013.41  49.189  790.780 6.4903 760.626 6.2087 30.15454       8.981761 
1 1 1 16 3  5  o 420.345 2.8112 1770.22  16.601  425.707 3.6887 414.982 4.2432 10.72552       5.622377 
1 1 1 16 3  7  o 121.138 1.3499 146.784  2.3035  121.377 1.8075 120.899 2.0056 0.4774475      2.699871 
1 1 1 16 3  9  o 316.142 2.1371 999.597  9.5539  319.830 3.0145 312.454 3.0302 7.376404       4.274293 
1 1 1 16 3  11 o 351.284 2.2491 1234.34  11.168  351.483 3.1208 351.086 3.2395 0.3976135      4.498173 
1 1 1 16 3  13 o 175.374 1.7624 308.341  4.2676  173.740 2.7913 177.008 2.1526 -3.268311      3.524898 
1 1 1 16 3  15 o 298.428 2.0951 891.584  8.8327  304.958 2.8775 291.898 3.0458 13.05954       4.190166 
1 1 1 16 3  17 o 155.751 1.4942 242.569  3.2897  152.174 2.1245 159.327 2.1016 -7.152756      2.988400 
1 1 1 16 3  19 f 295.143 2.1162 871.558  8.8327  297.314 2.9904 292.973 2.9953 4.340271       4.232478 
1 1 1 16 3  21 o 24.582  4.8358 6.0095   1.8759  30.133  6.5074 19.031  7.1550 11.10224       9.671571 
1 1 1 16 3  23 f 75.217  1.7403 56.599   1.8456  79.667  2.3914 70.766  2.5290 8.900627       3.480638 
1 1 1 16 3  25 o 20.377  4.8708 3.4200   1.8144  16.626  6.9215 24.129  6.8551 -7.503168      9.741690 
1 1 1 16 3  27 o 18.735  4.9068 0.8772   1.8095  11.310  5.2630 26.160  8.2831 -14.84924      9.813695 
1 1 1 16 3  29 o 101.032 1.8650 101.436  2.5123  99.144  2.0963 102.920 3.0852 -3.775627      3.730003 
1 1 1 16 3  31 f 206.497 1.8226 425.703  5.1675  204.061 2.2068 208.932 2.9014 -4.871490      3.645226 
1 1 1 16 3  33 o 44.709  3.4774 19.398   2.0419  41.109  3.9323 48.309  5.7363 -7.200008      6.954718 
1 1 1 16 3  35 o 30.975  5.2656 10.130   2.2362  30.080  6.6997 31.871  8.1253 -1.790836      10.53124 
1 1 1 16 3  37 o 27.427  5.5275 7.9197   2.2146  25.362  7.3279 29.492  8.2774 -4.130211      11.05502 
1 1 1 16 3  39 o 47.964  3.7107 23.570   2.4342  48.645  4.3912 47.284  5.9828 1.361130       7.421369 
1 1 1 16 3  41 o 46.836  4.7458 24.958   2.7411  56.402  4.4014 37.269  8.4095 19.13256       9.491684 
1 1 1 16 3  43 o 22.858  5.5091 4.9775   2.3872  27.634  7.8049 18.081  7.7771 9.552586       11.01816 
1 1 1 16 3  45 o 17.185  5.3874 0.0351   2.6243  17.453  7.5070 16.918  7.7292 0.5347214      10.77479 
1 1 1 16 3  47 o 19.507  6.1149 1.0638   3.5179  21.934  9.2004 17.079  8.0574 4.855097       12.22987 
1 1 1 16 4  0  o 28.421  5.1476 8.7753   2.6557  28.421  5.1476 ?       ?      0.000000       0.000000 
1 1 1 16 4  2  o 227.337 1.8129 515.190  5.8030  234.154 2.6628 220.520 2.4609 13.63385       3.625847 
1 1 1 16 4  4  o 303.392 2.3088 918.490  9.6719  306.164 3.6393 300.621 2.8422 5.542114       4.617695 
1 1 1 16 4  6  o 193.205 1.5852 369.647  4.1598  198.909 2.5542 187.501 1.8782 11.40794       3.170397 
1 1 1 16 4  8  o 302.403 2.3242 915.313  9.7503  301.497 3.6382 303.308 2.8932 -1.811157      4.648360 
1 1 1 16 4  10 o 247.598 1.7739 613.524  6.2061  242.456 2.5716 252.740 2.4442 -10.28310      3.547844 
1 1 1 16 4  12 o 662.921 4.6849 4387.42  41.790  668.328 7.6881 657.514 5.3560 10.81409       9.369846 
1 1 1 16 4  14 o 383.997 3.0057 1475.61  15.763  384.060 3.5626 383.934 4.8419 0.1256714      6.011354 
1 1 1 16 4  16 o 154.836 1.5826 239.549  3.4601  161.378 2.2180 148.293 2.2580 13.08505       3.165159 
1 1 1 16 4  18 o 504.336 3.3683 2545.14  23.883  507.045 5.0440 501.627 4.4655 5.418427       6.736670 
1 1 1 16 4  20 o 155.982 1.4791 243.436  3.2616  157.314 2.0551 154.649 2.1279 2.665756       2.958278 
1 1 1 16 4  22 o 104.077 1.4909 108.353  2.1923  103.884 2.0562 104.270 2.1594 -0.3861237     2.981763 
1 1 1 16 4  24 f 16.358  4.6382 0.9874   1.6722  18.479  6.9317 14.237  6.1647 4.242066       9.276426 
1 1 1 16 4  26 o 140.838 1.5239 198.022  3.0087  142.982 2.3015 138.695 1.9980 4.287109       3.047789 
1 1 1 16 4  28 o 105.083 1.7382 111.007  2.4759  106.446 2.0067 103.720 2.8387 2.725700       3.476410 
1 1 1 16 4  30 o 43.941  3.1632 19.099   1.9018  41.679  3.8784 46.202  4.9982 -4.523190      6.326488 
1 1 1 16 4  32 o 115.195 1.7526 131.317  2.7111  111.502 2.0193 118.888 2.8651 -7.386444      3.505158 
1 1 1 16 4  34 o 20.951  5.3699 3.4062   2.1194  22.657  7.1071 19.245  8.0518 3.411808       10.73978 
1 1 1 16 4  36 f 50.712  3.2614 25.818   2.2169  49.749  3.7135 51.676  5.3625 -1.927429      6.522830 
1 1 1 16 4  38 o 43.429  3.8480 19.057   2.3445  40.849  5.2292 46.008  5.6467 -5.159233      7.696097 
1 1 1 16 4  40 o 23.538  5.2442 5.3026   2.2187  28.387  6.7922 18.688  7.9920 9.699238       10.48836 
1 1 1 16 4  42 o 19.084  5.8763 -0.2051  2.9102  15.866  7.2271 22.302  9.2679 -6.435630      11.75268 
1 1 1 16 4  44 o 16.378  5.2270 -1.9001  2.6544  18.120  7.8303 14.637  6.9263 3.483839       10.45405 
1 1 1 16 4  46 o 26.200  6.0618 8.9325   2.7122  21.814  8.4793 30.586  8.6652 -8.772499      12.12366 
1 1 1 16 5  1  o 522.545 3.1720 2731.57  23.439  521.036 4.5208 524.054 4.4507 -3.017883      6.343946 
1 1 1 16 5  3  o 938.985 5.5229 8853.62  72.184  924.437 8.5995 953.533 6.9325 -29.09631      11.04588 
1 1 1 16 5  5  o 406.419 2.7613 1662.22  15.211  398.964 4.5148 413.874 3.1804 -14.91022      5.522565 
1 1 1 16 5  7  o 401.496 2.7048 1617.57  14.930  396.842 4.3207 406.151 3.2551 -9.309052      5.409677 
1 1 1 16 5  9  f 558.762 3.3999 3127.42  26.258  556.147 5.3669 561.377 4.1753 -5.229553      6.799742 
1 1 1 16 5  11 o 476.569 3.4540 2262.44  21.380  481.069 5.8684 472.070 3.6444 8.999695       6.907967 
1 1 1 16 5  13 o 227.302 2.0114 514.939  6.1599  225.016 2.3091 229.587 3.2941 -4.571228      4.022865 
1 1 1 16 5  15 o 247.294 1.8402 610.003  6.4080  240.891 2.4925 253.698 2.7080 -12.80690      3.680456 
1 1 1 16 5  17 o 321.705 2.2085 1035.55  10.042  321.128 3.1821 322.282 3.0632 -1.154327      4.416914 
1 1 1 16 5  19 o 331.466 2.2476 1099.27  10.534  327.490 3.1732 335.443 3.1840 -7.953308      4.495200 
1 1 1 16 5  21 o 108.103 1.5148 116.912  2.2963  108.073 2.2970 108.133 1.9754 -0.5964661E-01 3.029647 
1 1 1 16 5  23 o 88.209  1.7818 77.855   2.2223  89.354  2.5198 87.065  2.5198 2.288986       3.563537 
1 1 1 16 5  25 o 125.598 1.5608 157.898  2.7712  127.781 2.1687 123.414 2.2454 4.366760       3.121697 
1 1 1 16 5  27 o 107.556 1.8981 115.811  2.8855  107.559 2.6301 107.554 2.7376 0.4737854E-02  3.796252 
1 1 1 16 5  29 o 94.811  1.8027 90.012   2.3538  94.857  2.1911 94.764  2.8633 0.9228516E-01  3.605467 
1 1 1 16 5  31 o 184.941 1.6930 344.176  4.3504  189.136 2.1062 180.747 2.6511 8.389038       3.385903 
1 1 1 16 5  33 o 86.041  2.0069 73.345   2.3368  83.162  2.3603 88.919  3.2463 -5.757042      4.013702 
1 1 1 16 5  35 o 67.223  2.6454 46.054   2.3962  69.737  2.9803 64.710  4.3717 5.027573       5.290879 
1 1 1 16 5  37 o 27.304  5.2475 7.7977   2.1553  21.971  7.5741 32.638  7.2650 -10.66726      10.49505 
1 1 1 16 5  39 o 27.561  5.2220 7.9686   2.1461  21.781  7.4693 33.340  7.2998 -11.55854      10.44403 
1 1 1 16 5  41 o 36.411  4.7838 14.338   2.3872  30.184  7.4863 42.638  5.9577 -12.45326      9.567614 
1 1 1 16 5  43 o 50.810  3.4510 26.800   2.4610  46.884  4.8024 54.736  4.9573 -7.851238      6.901990 
1 1 1 16 5  45 o 20.079  5.7509 3.5794   2.5402  20.435  8.1881 19.722  8.0774 0.7130814      11.50172 
1 1 1 16 5  47 f 15.527  5.1460 -2.5013  2.8100  17.752  8.0374 13.301  6.4284 4.450754       10.29197 
1 1 1 16 6  0  o 280.418 2.9036 786.660  16.281  280.418 2.9036 ?       ?      0.000000       0.000000 
1 1 1 16 6  2  o 341.017 2.4884 1154.99  11.338  347.154 4.1076 334.880 2.8101 12.27423       4.976871 
1 1 1 16 6  4  o 475.227 2.9278 2265.88  19.304  468.868 4.5928 481.586 3.6323 -12.71869      5.855573 
1 1 1 16 6  6  o 308.963 2.1503 959.603  9.1913  302.267 3.3998 315.660 2.6337 -13.39294      4.300534 
1 1 1 16 6  8  o 437.209 2.8484 1912.22  16.992  437.216 4.5952 437.202 3.3673 0.1428223E-01  5.696849 
1 1 1 16 6  10 o 156.101 1.4574 243.029  3.1602  158.059 2.2646 154.144 1.8352 3.915710       2.914865 
1 1 1 16 6  12 o 16.641  4.5946 1.6165   1.5241  17.051  6.9913 16.231  5.9633 0.8197918      9.189140 
1 1 1 16 6  14 o 233.874 1.8187 547.675  5.8203  233.062 2.9230 234.686 2.1648 -1.623016      3.637336 
1 1 1 16 6  16 f 134.853 1.4558 181.592  2.7519  133.422 1.9039 136.285 2.2028 -2.863495      2.911555 
1 1 1 16 6  18 o 32.559  3.4537 10.631   1.5871  31.849  5.0755 33.270  4.6853 -1.420362      6.907435 
1 1 1 16 6  20 o 85.668  1.5247 73.363   1.8456  84.321  2.1225 87.015  2.1895 -2.693611      3.049390 
1 1 1 16 6  22 o 136.863 1.4765 187.399  2.8575  136.863 2.0669 136.862 2.1091 0.1266479E-02  2.953083 
1 1 1 16 6  24 o 175.417 1.5824 307.839  3.9249  177.456 2.2448 173.378 2.2310 4.077805       3.164890 
1 1 1 16 6  26 o 136.124 1.5749 185.406  3.0285  136.503 2.2839 135.745 2.1690 0.7576752      3.149712 
1 1 1 16 6  28 f 120.686 1.6772 145.068  2.7334  118.986 1.9408 122.385 2.7360 -3.399277      3.354474 
1 1 1 16 6  30 o 111.641 1.6482 125.087  2.5143  112.490 1.9502 110.791 2.6576 1.699295       3.296376 
1 1 1 16 6  32 o 18.402  5.0460 2.1157   1.8403  16.252  6.5236 20.551  7.7002 -4.299013      10.09208 
1 1 1 16 6  34 f 66.730  2.5248 45.365   2.3207  70.654  3.0233 62.807  4.0445 7.846134       5.049581 
1 1 1 16 6  36 o 103.818 1.8358 107.886  2.6470  102.394 2.3117 105.241 2.8526 -2.847015      3.671643 
1 1 1 16 6  38 o 77.242  2.1252 60.053   2.2862  77.365  2.6864 77.119  3.2939 0.2462921      4.250478 
1 1 1 16 6  40 f 31.285  5.2766 10.837   2.3349  35.306  6.6216 27.265  8.2173 8.041491       10.55321 
1 1 1 16 6  42 o 43.331  3.9426 20.192   2.2771  35.721  6.3707 50.942  4.6465 -15.22105      7.885180 
1 1 1 16 6  44 o 17.142  5.2455 0.9251   2.3378  17.119  7.4368 17.165  7.3995 -0.4647446E-01 10.49091 
1 1 1 16 6  46 o 17.908  5.2671 1.5581   2.3292  14.145  6.5460 21.672  8.2534 -7.527223      10.53414 
1 1 1 16 7  1  o 516.026 3.1923 2664.15  23.295  513.508 4.5421 518.544 4.4868 -5.035095      6.384500 
1 1 1 16 7  3  o 742.847 4.5983 5518.80  46.621  744.866 7.4097 740.829 5.4473 4.036499       9.196511 
1 1 1 16 7  5  o 227.869 1.8561 520.440  5.8149  226.065 2.9624 229.673 2.2372 -3.607376      3.712243 
1 1 1 16 7  7  o 90.626  1.4779 81.241   1.8012  93.299  2.4133 87.952  1.7067 5.347328       2.955758 
1 1 1 16 7  9  o 478.531 3.7094 2293.91  22.289  477.655 6.4663 479.408 3.6368 -1.752197      7.418884 
1 1 1 16 7  11 o 170.032 1.6647 288.648  3.8432  170.960 2.7016 169.105 1.9460 1.855423       3.329452 
1 1 1 16 7  13 o 204.620 1.7327 417.372  4.8334  206.827 2.7913 202.413 2.0536 4.413437       3.465362 
1 1 1 16 7  15 o 65.795  2.0426 44.212   1.6389  63.550  3.6338 68.039  1.8667 -4.489162      4.085260 
1 1 1 16 7  17 o 215.872 1.7576 468.459  5.1675  212.477 2.8530 219.267 2.0537 -6.790283      3.515270 
1 1 1 16 7  19 o 181.195 1.6830 322.575  4.0467  188.983 2.7799 173.407 1.8977 15.57619       3.365910 
1 1 1 16 7  21 o 134.696 1.4858 181.553  2.8277  133.923 2.1554 135.468 2.0456 -1.545288      2.971597 
1 1 1 16 7  23 o 83.030  1.7686 68.649   2.0639  79.733  2.3894 86.327  2.6082 -6.594124      3.537230 
1 1 1 16 7  25 o 105.486 1.5670 111.222  2.3349  108.056 2.2440 102.917 2.1877 5.138718       3.133957 
1 1 1 16 7  27 o 108.274 1.7777 117.491  2.7024  109.162 2.3270 107.387 2.6880 1.774628       3.555366 
1 1 1 16 7  29 o 118.614 1.6321 139.501  2.6139  115.382 1.9014 121.846 2.6533 -6.464615      3.264264 
1 1 1 16 7  31 o 144.545 1.6817 210.089  3.3710  147.125 2.0797 141.966 2.6433 5.159378       3.363393 
1 1 1 16 7  33 o 95.911  1.7529 92.170   2.3445  95.782  2.2302 96.040  2.7051 -0.2588272     3.505858 
1 1 1 16 7  35 o 16.436  5.0457 -0.4665  2.1338  14.954  6.5830 17.917  7.6487 -2.963563      10.09148 
1 1 1 16 7  37 o 41.827  3.5350 17.753   2.0719  37.516  5.2322 46.139  4.7548 -8.623142      7.069963 
1 1 1 16 7  39 o 71.590  2.2569 51.836   2.2771  72.545  3.0241 70.635  3.3511 1.910439       4.513837 
1 1 1 16 7  41 o 31.340  4.9170 10.844   2.1345  27.543  7.3905 35.137  6.4875 -7.593649      9.833977 
1 1 1 16 7  43 o 16.533  4.9367 0.3041   2.0296  19.882  7.7912 13.184  6.0647 6.697393       9.873335 
1 1 1 16 7  45 o 18.100  5.3387 -0.5616  2.4759  24.693  9.0788 11.506  5.6196 13.18715       10.67732 
1 1 1 16 7  47 o 13.878  4.5471 -3.9035  2.3677  11.479  5.7229 16.277  7.0678 -4.798056      9.094204 
1 1 1 16 8  0  o 240.138 2.3084 576.861  11.085  240.138 2.3084 ?       ?      0.000000       0.000000 
1 1 1 16 8  2  o 297.426 2.0580 882.119  8.6214  288.763 2.7990 306.089 3.0178 -17.32565      4.116016 
1 1 1 16 8  4  o 659.078 3.9429 4344.94  36.705  664.619 5.7157 653.537 5.4328 11.08246       7.885744 
1 1 1 16 8  6  o 307.234 2.0807 947.431  8.8278  302.876 3.2976 311.592 2.5384 -8.716064      4.161439 
1 1 1 16 8  8  o 219.928 2.1773 482.137  5.8841  221.182 3.8370 218.675 2.0593 2.507080       4.354633 
1 1 1 16 8  10 o 103.799 1.5284 107.231  2.1593  105.381 2.4653 102.216 1.8074 3.164040       3.056851 
1 1 1 16 8  12 o 350.391 2.4170 1231.17  11.781  346.428 3.7663 354.353 3.0304 -7.924774      4.834055 
1 1 1 16 8  14 o 398.191 2.7475 1584.97  15.006  399.707 4.3909 396.675 3.3038 3.032562       5.494961 
1 1 1 16 8  16 o 190.170 1.7031 362.973  4.3780  188.322 2.7897 192.018 1.9543 -3.695267      3.406136 
1 1 1 16 8  18 o 371.958 2.5350 1395.69  13.040  359.119 4.0190 384.797 3.0907 -25.67792      5.069996 
1 1 1 16 8  20 o 191.338 1.9483 367.848  4.7334  189.828 3.3758 192.848 1.9459 -3.019791      3.896512 
1 1 1 16 8  22 o 232.164 1.9153 536.816  5.9805  235.292 3.1407 229.035 2.1930 6.257660       3.830528 
1 1 1 16 8  24 o 179.814 1.6803 322.119  4.0595  182.002 2.7597 177.626 1.9176 4.375412       3.360545 
1 1 1 16 8  26 o 51.974  3.6792 28.226   2.3358  48.368  6.5648 55.579  3.3240 -7.210819      7.358341 
1 1 1 16 8  28 o 12.234  4.0623 -3.7135  1.7729  11.673  5.4730 12.794  6.0045 -1.121339      8.124546 
1 1 1 16 8  30 o 163.059 1.6540 266.841  3.7319  164.487 2.0357 161.632 2.6074 2.854614       3.308000 
1 1 1 16 8  32 o 71.890  2.1517 52.149   2.0596  73.052  2.3709 70.729  3.5915 2.323700       4.303479 
1 1 1 16 8  34 o 61.004  2.3325 37.471   1.9579  61.423  2.8197 60.584  3.7164 0.8386955      4.665027 
1 1 1 16 8  36 o 25.213  5.0388 6.7520   1.8759  24.907  7.0811 25.519  7.1704 -0.6118507     10.07755 
1 1 1 16 8  38 o 48.518  3.1133 23.901   2.1361  48.280  4.4244 48.756  4.3812 -0.4759636     6.226524 
1 1 1 16 8  40 o 22.341  4.4668 3.5842   2.0639  13.391  6.3241 31.290  6.3100 -17.89881      8.933655 
1 1 1 16 8  42 o 17.080  5.0064 0.5695   2.1299  14.505  6.6817 19.654  7.4574 -5.149132      10.01290 
1 1 1 16 8  44 o 21.146  5.5117 4.9255   2.1695  21.146  8.1265 21.147  7.4480 -0.7724762E-03 11.02330 
1 1 1 16 8  46 o 16.878  4.6732 0.8384   1.9813  12.258  5.9025 21.498  7.2467 -9.239974      9.346370 
1 1 1 16 9  1  o 290.426 1.9614 843.728  8.0511  289.600 2.8308 291.252 2.7156 -1.651947      3.922764 
1 1 1 16 9  3  o 655.322 3.9186 4296.94  36.293  651.604 5.4401 659.041 5.6415 -7.436340      7.837120 
1 1 1 16 9  5  o 368.270 2.3945 1356.62  12.468  367.441 3.3467 369.099 3.4255 -1.658203      4.788937 
1 1 1 16 9  7  o 567.009 3.5989 3215.70  28.060  568.473 5.7278 565.546 4.3589 2.926758       7.197774 
1 1 1 16 9  9  o 449.082 3.0980 2018.22  19.363  449.093 4.8079 449.072 3.9082 0.2114868E-01  6.195949 
1 1 1 16 9  11 o 281.461 2.2650 792.717  8.7305  281.238 3.6334 281.684 2.7054 -0.4451599     4.530013 
1 1 1 16 9  13 o 179.105 1.5027 320.262  3.7178  180.421 2.3679 177.789 1.8509 2.632843       3.005471 
1 1 1 16 9  15 o 183.662 1.7025 339.594  4.2898  179.379 2.7357 187.945 2.0274 -8.566010      3.405026 
1 1 1 16 9  17 f 78.445  2.2657 61.624   2.5110  77.157  3.2923 79.734  3.1135 -2.577225      4.531312 
1 1 1 16 9  19 o 369.303 2.7381 1369.75  13.569  366.203 4.5246 372.405 3.0850 -6.202118      5.476243 
1 1 1 16 9  21 o 296.176 2.2554 875.333  8.9277  298.706 3.7302 293.647 2.5362 5.058746       4.510735 
1 1 1 16 9  23 f 110.798 1.6442 123.132  2.3916  110.208 2.7764 111.388 1.7622 -1.179710      3.288429 
1 1 1 16 9  25 o 88.995  2.0379 80.182   2.1925  87.408  3.6327 90.583  1.8483 -3.175468      4.075883 
1 1 1 16 9  27 o 180.824 1.8345 328.334  4.3241  179.642 3.1173 182.007 1.9349 -2.365326      3.669010 
1 1 1 16 9  29 o 17.874  4.8179 2.0236   1.6204  21.340  7.6489 14.407  5.8601 6.933170       9.635742 
1 1 1 16 9  31 o 56.923  2.3129 32.352   1.7155  57.442  3.9197 56.404  2.4565 1.037754       4.625873 
1 1 1 16 9  33 o 114.805 1.5951 131.244  2.4961  117.101 2.5637 112.509 1.8986 4.592621       3.190148 
1 1 1 16 9  35 o 58.886  3.3438 33.228   1.7845  61.701  6.3626 56.071  2.0593 5.630379       6.687569 
1 1 1 16 9  37 o 53.156  3.0799 28.730   2.0574  52.650  5.3730 53.662  3.0124 -1.011795      6.159827 
1 1 1 16 9  39 o 40.839  4.8842 19.703   2.1424  33.780  9.1669 47.897  3.3749 -14.11699      9.768451 
1 1 1 16 9  41 o 24.534  4.6835 6.6241   1.6414  21.283  8.2888 27.786  4.3633 -6.502874      9.367080 
1 1 1 16 9  43 o 12.788  4.3015 -2.8708  1.7747  14.389  6.9288 11.187  5.0995 3.202264       8.603065 
1 1 1 16 9  45 o 17.373  6.1188 -9.8207  4.6515  14.579  7.1157 20.168  9.9561 -5.588661      12.23758 
1 1 1 16 10 0  o 185.081 2.0593 342.699  7.6207  185.081 2.0593 ?       ?      0.000000       0.000000 
1 1 1 16 10 2  o 294.730 1.9943 867.258  8.2878  288.574 2.7208 300.887 2.9165 -12.31210      3.988578 
1 1 1 16 10 4  o 88.396  1.6649 77.987   2.0639  89.635  2.5119 87.156  2.1859 2.478798       3.329859 
1 1 1 16 10 6  o 201.694 1.5281 406.794  4.3571  202.982 2.1900 200.407 2.1318 2.574677       3.056251 
1 1 1 16 10 8  o 220.051 1.9418 484.777  5.9370  219.178 3.0291 220.923 2.4303 -1.745270      3.883567 
1 1 1 16 10 10 o 256.815 1.9338 659.144  6.8100  257.634 3.0924 255.995 2.3229 1.639206       3.867632 
1 1 1 16 10 12 o 253.628 2.0157 643.914  7.0243  253.079 3.2165 254.177 2.4303 -1.098129      4.031415 
1 1 1 16 10 14 o 186.055 1.7357 343.610  4.2193  189.173 2.9298 182.937 1.8620 6.236053       3.471356 
1 1 1 16 10 16 o 169.482 1.8425 287.172  4.4118  166.981 2.5585 171.983 2.6519 -5.001801      3.684909 
1 1 1 16 10 18 o 173.144 1.6447 303.360  3.9073  165.583 2.6498 180.705 1.9489 -15.12167      3.289311 
1 1 1 16 10 20 o 212.793 1.7829 454.589  5.1498  210.706 2.9043 214.880 2.0688 -4.174026      3.565811 
1 1 1 16 10 22 o 40.366  4.4786 18.590   1.7747  34.788  8.5199 45.945  2.7644 -11.15734      8.957199 
1 1 1 16 10 24 o 60.902  2.7578 37.504   1.9494  60.102  4.9950 61.703  2.3391 -1.601128      5.515570 
1 1 1 16 10 26 o 301.421 2.2695 908.136  9.2714  303.431 3.6911 299.410 2.6416 4.020844       4.539024 
1 1 1 16 10 28 o 107.895 1.6506 115.701  2.3737  109.898 2.7317 105.893 1.8537 4.005280       3.301247 
1 1 1 16 10 30 o 75.812  2.2978 55.945   1.9501  78.624  4.1854 73.001  1.8980 5.623299       4.595675 
1 1 1 16 10 32 o 84.367  1.9226 70.487   1.9371  85.897  3.4278 82.836  1.7424 3.060837       3.845174 
1 1 1 16 10 34 o 42.214  3.5114 16.736   1.8601  47.822  5.9154 36.607  3.7850 11.21578       7.022709 
1 1 1 16 10 36 o 47.091  4.9292 23.225   3.0106  48.114  5.2796 46.068  8.3256 2.046562       9.858493 
1 1 1 16 10 38 o 55.895  4.5710 32.252   3.4453  54.404  5.3059 57.386  7.4447 -2.982304      9.141998 
1 1 1 16 10 40 o 19.821  6.2084 -0.5659  3.2635  18.630  7.9339 21.011  9.5514 -2.381603      12.41676 
1 1 1 16 10 42 o 48.447  4.8164 25.806   3.2907  50.532  6.5121 46.362  7.0980 4.170799       9.632712 
1 1 1 16 10 44 o 27.652  6.9588 10.463   3.4391  28.516  9.3262 26.788  10.331 1.728697       13.91761 
1 1 1 16 10 46 o 22.798  6.9836 5.6022   4.5087  24.562  9.3998 21.035  10.331 3.527149       13.96713 
1 1 1 16 11 1  o 106.782 1.3449 114.425  2.0206  112.999 1.7882 100.564 2.0093 12.43514       2.689774 
1 1 1 16 11 3  o 177.186 1.5647 311.861  3.8952  187.365 2.2801 167.007 2.1433 20.35832       3.129321 
1 1 1 16 11 5  o 199.565 1.5567 398.692  4.3846  202.242 2.1124 196.888 2.2871 5.353882       3.113408 
1 1 1 16 11 7  o 70.915  1.7022 50.391   1.7026  68.879  2.5145 72.950  2.2950 -4.071121      3.404399 
1 1 1 16 11 9  o 236.691 1.8292 560.309  6.1109  237.237 2.6769 236.145 2.4937 1.091965       3.658427 
1 1 1 16 11 11 o 304.549 2.1900 928.830  9.2101  303.412 3.4630 305.686 2.6818 -2.274750      4.380053 
1 1 1 16 11 13 o 148.937 1.5200 223.627  3.0868  145.055 2.4676 152.819 1.7756 -7.764328      3.040031 
1 1 1 16 11 15 o 397.396 3.0867 1580.44  17.331  402.819 4.4429 391.974 4.2860 10.84500       6.173314 
1 1 1 16 11 17 o 58.275  2.5899 34.276   1.8210  57.513  4.6175 59.037  2.3470 -1.524117      5.179764 
1 1 1 16 11 19 o 190.040 1.7686 362.985  4.4752  187.933 2.9491 192.147 1.9530 -4.213974      3.537126 
1 1 1 16 11 21 o 21.918  5.2294 3.9791   1.8237  20.799  8.8539 23.036  5.5673 -2.237518      10.45875 
1 1 1 16 11 23 o 87.023  2.2540 77.409   2.3465  84.234  4.0437 89.812  1.9927 -5.578033      4.508075 
1 1 1 16 11 25 o 170.175 1.8881 290.923  4.2767  168.725 3.1479 171.624 2.0856 -2.898422      3.776147 
1 1 1 16 11 27 f 121.143 1.7264 147.778  2.5980  119.952 3.0322 122.334 1.6517 -2.382072      3.452866 
1 1 1 16 11 29 o 127.539 1.6315 163.440  2.7931  126.373 2.6954 128.704 1.8391 -2.330643      3.263022 
1 1 1 16 11 31 o 23.920  4.4604 5.9190   1.6544  19.119  7.6292 28.721  4.6232 -9.601971      8.920708 
1 1 1 16 11 33 o 65.565  3.4340 43.927   2.8757  66.982  3.4476 64.148  5.9399 2.833885       6.867910 
1 1 1 16 11 35 o 101.032 2.7152 101.860  3.7638  97.075  3.3304 104.988 4.2892 -7.913689      5.430346 
1 1 1 16 11 37 o 37.330  5.8860 16.023   3.1290  46.168  5.8772 28.492  10.200 17.67676       11.77202 
1 1 1 16 11 39 o 41.071  6.2444 18.766   3.3617  39.137  7.3514 43.006  10.096 -3.869408      12.48877 
1 1 1 16 11 41 o 33.251  7.1162 13.443   3.5629  30.196  9.3618 36.307  10.720 -6.110821      14.23237 
1 1 1 16 11 43 o 41.631  6.5833 22.301   3.7178  41.603  8.2019 41.659  10.300 -0.5592728E-01 13.16663 
1 1 1 16 11 45 o 19.413  6.2156 1.0336   3.5064  15.981  7.4866 22.846  9.9240 -6.865059      12.43119 
1 1 1 16 12 0  o 366.423 3.9399 1343.55  28.866  366.423 3.9399 ?       ?      0.000000       0.000000 
1 1 1 16 12 2  o 167.289 1.5252 279.895  3.6080  169.135 2.1504 165.443 2.1635 3.692093       3.050443 
1 1 1 16 12 4  o 313.644 2.1020 983.922  9.3215  316.118 2.9951 311.170 2.9500 4.947784       4.203932 
1 1 1 16 12 6  o 135.181 1.4949 182.609  2.8551  139.387 2.1124 130.975 2.1158 8.411652       2.989749 
1 1 1 16 12 8  o 288.030 2.1977 830.075  8.9425  288.424 3.0225 287.635 3.1913 0.7889404      4.395463 
1 1 1 16 12 10 o 169.400 1.5620 287.010  3.6859  169.303 1.9778 169.498 2.4183 -0.1950073     3.124094 
1 1 1 16 12 12 o 164.828 1.7062 275.396  3.8488  156.748 2.7624 172.908 2.0033 -16.16066      3.412325 
1 1 1 16 12 14 o 129.664 1.9676 168.136  3.6062  127.195 2.7687 132.133 2.7963 -4.938477      3.935132 
1 1 1 16 12 16 o 166.070 1.7276 279.701  3.8617  159.505 2.8594 172.636 1.9396 -13.13132      3.455172 
1 1 1 16 12 18 o 241.400 2.2829 592.259  7.2464  232.795 3.8687 250.006 2.4247 -17.21057      4.565780 
1 1 1 16 12 20 o 211.375 1.9388 453.113  5.4476  204.226 3.2509 218.523 2.1135 -14.29738      3.877563 
1 1 1 16 12 22 o 247.785 2.3445 617.859  7.3632  245.507 4.0682 250.062 2.3318 -4.555008      4.689078 
1 1 1 16 12 24 o 185.673 1.8746 345.617  4.5407  185.109 3.1812 186.237 1.9840 -1.127625      3.749150 
1 1 1 16 12 26 o 57.690  3.0028 33.640   1.8726  57.153  5.5558 58.227  2.2805 -1.074581      6.005598 
1 1 1 16 12 28 o 38.293  3.4867 14.467   1.5215  39.254  6.3242 37.331  2.9383 1.922485       6.973474 
1 1 1 16 12 30 o 15.693  5.1245 -3.7456  2.5351  14.003  6.4724 17.384  7.9467 -3.380652      10.24899 
1 1 1 16 12 32 o 21.118  5.6586 0.0455   2.9121  26.429  8.3824 15.807  7.6035 10.62198       11.31711 
1 1 1 16 12 34 o 31.828  6.3621 10.478   2.8145  27.858  7.7845 35.797  10.065 -7.938536      12.72410 
1 1 1 16 12 36 o 62.669  3.9861 39.657   3.4072  59.862  4.8221 65.476  6.3485 -5.613853      7.972166 
1 1 1 16 12 38 o 22.367  6.6122 2.2807   3.4391  21.169  8.7897 23.564  9.8804 -2.395544      13.22431 
1 1 1 16 12 40 f 17.284  5.6830 -4.0903  3.1492  13.818  6.6358 20.750  9.2278 -6.932080      11.36602 
1 1 1 16 12 42 o 37.541  6.3734 18.508   3.4450  43.511  6.8996 31.570  10.718 11.94051       12.74680 
1 1 1 16 12 44 o 24.954  7.2126 8.2269   4.0206  24.556  9.9052 25.352  10.487 -0.7953682     14.42524 
1 1 1 16 13 1  o 569.328 3.4849 3245.06  28.057  573.321 4.9141 565.335 4.9426 7.985168       6.969767 
1 1 1 16 13 3  o 343.929 2.3266 1181.86  11.286  338.424 3.1730 349.434 3.4035 -11.00992      4.653117 
1 1 1 16 13 5  o 138.149 1.5207 190.158  2.9595  143.746 2.2089 132.551 2.0906 11.19528       3.041408 
1 1 1 16 13 7  o 348.501 2.3898 1214.82  11.767  345.775 3.3059 351.228 3.4518 -5.453674      4.779553 
1 1 1 16 13 9  o 322.639 2.2206 1041.61  10.132  322.334 3.1523 322.943 3.1285 -0.6094971     4.441189 
1 1 1 16 13 11 o 319.909 2.2716 1024.12  10.273  319.462 3.1626 320.356 3.2619 -0.8944092     4.543283 
1 1 1 16 13 13 o 195.745 1.8356 385.248  4.9564  191.883 2.9185 199.605 2.2271 -7.721909      3.671143 
1 1 1 16 13 15 o 199.116 1.7918 398.601  4.8515  196.098 2.9146 202.134 2.0850 -6.035873      3.583582 
1 1 1 16 13 17 o 109.731 1.7982 121.630  2.5204  107.711 3.1088 111.750 1.8082 -4.039474      3.596368 
1 1 1 16 13 19 o 193.804 1.8009 379.872  4.6946  187.986 2.9790 199.623 2.0244 -11.63692      3.601752 
1 1 1 16 13 21 o 323.123 2.4190 1051.47  10.836  315.217 3.8095 331.030 2.9823 -15.81296      4.838037 
1 1 1 16 13 23 o 162.338 1.6904 266.615  3.6649  157.741 2.8182 166.935 1.8675 -9.194611      3.380773 
1 1 1 16 13 25 o 102.413 1.8914 104.252  2.2695  103.486 3.4030 101.340 1.6521 2.145767       3.782873 
1 1 1 16 13 27 o 46.168  4.1348 23.855   1.6935  41.403  7.9528 50.932  2.2670 -9.528679      8.269653 
1 1 1 16 13 29 o 87.957  2.9234 76.989   3.3969  85.959  3.2238 89.955  4.8776 -3.996155      5.846704 
1 1 1 16 13 31 f 65.564  3.6423 43.204   3.1627  64.588  4.0223 66.539  6.0735 -1.951019      7.284665 
1 1 1 16 13 33 o 62.171  3.9032 39.080   3.4057  57.223  5.4480 67.120  5.5909 -9.896336      7.806378 
1 1 1 16 13 35 o 53.820  5.2023 31.695   3.4453  59.507  4.8508 48.133  9.2045 11.37458       10.40451 
1 1 1 16 13 37 o 48.266  5.4382 24.944   3.5692  48.384  6.6820 48.148  8.5818 0.2362175      10.87639 
1 1 1 16 13 39 o 21.404  6.1366 -0.1115  3.3445  15.139  7.2828 27.669  9.8790 -12.52952      12.27329 
1 1 1 16 13 41 o 19.184  6.0899 -0.3978  3.4154  17.678  8.0598 20.690  9.1316 -3.012197      12.17975 
1 1 1 16 13 43 o 38.070  6.6207 20.013   3.6062  43.158  8.4616 32.982  10.185 10.17550       13.24138 
1 1 1 16 13 45 o 20.753  6.7977 2.2868   4.5961  19.594  8.9412 21.912  10.242 -2.318071      13.59548 
1 1 1 16 14 0  o 232.472 2.5338 540.721  11.777  232.472 2.5338 ?       ?      0.000000       0.000000 
1 1 1 16 14 2  o 16.368  4.6283 1.1709   1.6449  15.289  6.4333 17.447  6.6555 -2.158785      9.256528 
1 1 1 16 14 4  o 161.919 1.4622 262.175  3.3475  160.084 2.0556 163.755 2.0801 -3.671066      2.924436 
1 1 1 16 14 6  o 231.293 1.8534 535.156  6.0613  234.412 2.6106 228.173 2.6314 6.238266       3.706703 
1 1 1 16 14 8  o 136.208 1.5015 185.787  2.8820  137.841 2.0104 134.574 2.2308 3.267059       3.003026 
1 1 1 16 14 10 o 74.104  1.7888 54.633   1.8652  69.705  2.4847 78.503  2.5740 -8.797943      3.577584 
1 1 1 16 14 12 o 173.491 1.6481 301.181  4.0380  172.990 2.4029 173.992 2.2563 -1.002869      3.296166 
1 1 1 16 14 14 o 116.771 1.4170 136.254  2.3292  115.612 1.8976 117.930 2.1051 -2.318054      2.834091 
1 1 1 16 14 16 o 256.098 2.1210 661.334  7.3481  250.586 3.4789 261.611 2.4275 -11.02528      4.242081 
1 1 1 16 14 18 o 214.134 1.8253 463.961  5.3525  205.540 2.9493 222.729 2.1514 -17.18912      3.650561 
1 1 1 16 14 20 o 119.947 1.7458 147.085  2.6863  114.703 3.0199 125.192 1.7524 -10.48902      3.491531 
1 1 1 16 14 22 o 112.049 1.9953 126.643  2.6299  110.816 3.5947 113.282 1.7328 -2.465759      3.990544 
1 1 1 16 14 24 f 79.458  2.0000 65.296   1.9645  74.956  3.5430 83.960  1.8566 -9.003792      3.999940 
1 1 1 16 14 26 o 70.430  2.7909 51.274   2.1049  67.867  5.1891 72.993  2.0564 -5.126312      5.581730 
1 1 1 16 14 28 o 125.279 2.3814 157.988  4.0597  126.632 2.7810 123.926 3.8667 2.706345       4.762891 
1 1 1 16 14 30 o 36.262  6.1642 14.193   3.0508  38.036  7.0943 34.487  10.083 3.548397       12.32845 
1 1 1 16 14 32 o 35.199  6.6048 13.298   3.2489  33.306  8.3327 37.091  10.250 -3.785095      13.20954 
1 1 1 16 14 34 o 32.795  6.2217 11.747   2.9921  36.096  8.0452 29.495  9.4929 6.600954       12.44350 
1 1 1 16 14 36 o 28.217  7.1027 7.6780   3.6567  30.257  9.1482 26.177  10.868 4.080170       14.20541 
1 1 1 16 14 38 o 20.024  6.3551 -1.5949  3.6047  17.225  7.9045 22.823  9.9532 -5.597063      12.71014 
1 1 1 16 14 40 o 29.705  7.0613 10.517   3.4270  25.832  9.1195 33.578  10.784 -7.745901      14.12265 
1 1 1 16 14 42 o 19.460  6.2557 0.0000   3.6844  18.873  8.3514 20.047  9.3161 -1.173660      12.51144 
1 1 1 16 14 44 o 14.736  5.1283 -4.4135  2.8219  12.046  5.7858 17.425  8.4690 -5.378973      10.25666 
1 1 1 16 15 1  o 396.378 2.6938 1570.42  15.051  390.464 3.6520 402.292 3.9608 -11.82794      5.387531 
1 1 1 16 15 3  f 492.516 3.0871 2426.99  21.485  483.943 4.3066 501.088 4.4242 -17.14474      6.174159 
1 1 1 16 15 5  o 149.777 1.5002 224.521  3.1753  153.189 2.0728 146.366 2.1694 6.822540       3.000462 
1 1 1 16 15 7  o 91.218  1.6561 83.250   2.1361  92.104  2.3192 90.332  2.3647 1.772133       3.312199 
1 1 1 16 15 9  o 242.065 1.9406 586.108  6.6267  243.108 2.8497 241.022 2.6348 2.085724       3.881144 
1 1 1 16 15 11 o 326.140 2.3406 1064.53  10.793  328.268 3.3415 324.012 3.2785 4.255920       4.681272 
1 1 1 16 15 13 o 31.593  3.7787 10.334   1.6165  35.760  4.5205 27.425  6.0563 8.334440       7.557322 
1 1 1 16 15 15 o 160.519 1.6402 257.107  3.7056  164.521 2.4213 156.516 2.2131 8.004593       3.280345 
1 1 1 16 15 17 o 98.914  1.6460 97.914   2.2362  98.904  2.6268 98.924  1.9842 -0.2057648E-01 3.291970 
1 1 1 16 15 19 o 96.009  1.9797 91.482   2.4590  97.695  3.3684 94.322  2.0811 3.373611       3.959386 
1 1 1 16 15 21 o 180.654 1.9063 329.716  4.6354  176.015 3.1488 185.293 2.1499 -9.278275      3.812694 
1 1 1 16 15 23 o 80.425  2.8936 69.906   2.3093  73.721  5.4818 87.129  1.8553 -13.40774      5.787263 
1 1 1 16 15 25 o 21.064  4.8309 3.9155   1.7061  18.668  7.9414 23.460  5.5031 -4.792532      9.661768 
1 1 1 16 15 27 o 50.091  4.3606 27.299   2.0758  46.189  8.3014 53.992  2.6732 -7.803062      8.721164 
1 1 1 16 15 29 o 77.395  3.2055 59.541   3.3666  74.057  3.8199 80.733  5.1487 -6.676445      6.411008 
1 1 1 16 15 31 o 16.677  5.3600 -6.1164  3.0699  18.980  8.0501 14.374  7.0791 4.606447       10.71996 
1 1 1 16 15 33 o 62.083  4.0475 39.019   3.4072  60.731  4.7531 63.436  6.5526 -2.705116      8.094998 
1 1 1 16 15 35 o 16.837  5.5801 -5.2746  3.1697  14.443  6.8779 19.231  8.7888 -4.788167      11.16013 
1 1 1 16 15 37 o 53.565  4.6088 30.651   3.2685  55.852  4.9616 51.279  7.7684 4.572746       9.217674 
1 1 1 16 15 39 o 19.433  5.8882 0.3255   3.0307  22.266  8.9097 16.600  7.7007 5.665987       11.77642 
1 1 1 16 15 41 o 27.076  6.3677 7.7416   3.6142  35.490  9.3165 18.663  8.6828 16.82691       12.73533 
1 1 1 16 15 43 o 24.611  6.3679 7.5594   3.2616  30.455  9.5520 18.766  8.4237 11.68894       12.73579 
1 1 1 16 16 0  o 66.837  2.7744 44.916   3.6949  66.837  2.7744 ?       ?      0.000000       0.000000 
1 1 1 16 16 2  o 116.257 1.5109 135.150  2.4771  115.713 2.0456 116.802 2.2242 -1.088638      3.021876 
1 1 1 16 16 4  o 51.823  2.3964 27.157   1.7243  48.979  3.7719 54.666  2.9570 -5.687824      4.792847 
1 1 1 16 16 6  o 277.759 2.0141 771.702  7.8988  279.487 2.9332 276.030 2.7608 3.457306       4.028132 
1 1 1 16 16 8  o 270.004 2.0795 729.741  7.9381  273.180 2.8953 266.828 2.9858 6.351990       4.159072 
1 1 1 16 16 10 o 295.894 2.0631 875.623  8.6147  298.809 3.0140 292.978 2.8179 5.831024       4.126111 
1 1 1 16 16 12 o 107.651 1.5371 116.028  2.3378  106.014 2.2327 109.287 2.1130 -3.272995      3.074101 
1 1 1 16 16 14 o 145.597 1.6124 212.113  3.3194  147.678 2.2674 143.516 2.2929 4.161819       3.224709 
1 1 1 16 16 16 o 288.980 2.1467 834.925  8.7567  282.276 2.9656 295.684 3.1045 -13.40799      4.293311 
1 1 1 16 16 18 o 210.775 1.9738 450.544  5.6224  202.469 3.2506 219.082 2.2399 -16.61285      3.947618 
1 1 1 16 16 20 o 124.829 1.6801 158.182  2.8127  119.907 2.7926 129.751 1.8688 -9.844139      3.360154 
1 1 1 16 16 22 o 63.965  2.8758 41.837   2.1553  62.175  5.1998 65.754  2.4584 -3.578568      5.751695 
1 1 1 16 16 24 o 143.781 2.0474 208.509  3.7580  141.973 3.5378 145.589 2.0620 -3.616699      4.094869 
1 1 1 16 16 26 o 144.039 1.7218 207.642  3.2835  144.309 2.8804 143.769 1.8873 0.5401611      3.443676 
1 1 1 16 16 28 o 26.141  6.0076 6.8518   2.5350  26.845  8.6857 25.438  8.3022 1.407032       12.01528 
1 1 1 16 16 30 o 29.435  6.6360 8.3576   3.4264  34.423  8.4394 24.447  10.243 9.975971       13.27200 
1 1 1 16 16 32 o 45.788  5.5353 21.929   3.3677  45.268  6.3767 46.308  9.0497 -1.040054      11.07064 
1 1 1 16 16 34 o 38.469  5.5243 16.275   2.8809  42.353  6.1340 34.584  9.1895 7.769348       11.04867 
1 1 1 16 16 36 o 89.911  3.1843 82.437   3.9745  87.206  4.0384 92.616  4.9245 -5.410759      6.368562 
1 1 1 16 16 38 o 29.140  6.7314 8.6733   3.8938  36.935  9.3620 21.345  9.6747 15.59032       13.46278 
1 1 1 16 16 40 o 22.117  6.5915 3.6718   3.6247  23.287  9.0914 20.947  9.5467 2.339613       13.18301 
1 1 1 16 16 42 o 18.380  6.1304 -6.5279  3.9019  12.065  6.0712 24.694  10.652 -12.62852      12.26075 
1 1 1 16 17 1  o 21.531  4.7832 4.2275   1.7823  25.771  6.4946 17.292  7.0241 8.479546       9.566498 
1 1 1 16 17 3  o 222.025 1.8217 493.496  5.7155  216.954 2.6344 227.095 2.5168 -10.14105      3.643408 
1 1 1 16 17 5  o 411.719 2.6972 1697.51  15.702  410.635 3.8522 412.802 3.7761 -2.167664      5.394302 
1 1 1 16 17 7  o 277.017 2.1295 768.106  8.3422  278.193 3.0091 275.840 3.0139 2.353149       4.258900 
1 1 1 16 17 9  o 211.646 1.7763 446.948  5.2712  215.750 2.6759 207.541 2.3366 8.208786       3.552508 
1 1 1 16 17 11 o 114.767 1.6026 131.831  2.5928  115.047 2.1578 114.487 2.3701 0.5601120      3.205205 
1 1 1 16 17 13 o 86.219  1.7765 74.267   2.1553  84.918  2.3795 87.520  2.6386 -2.601723      3.553064 
1 1 1 16 17 15 o 220.160 1.8731 485.191  5.8304  216.399 2.6679 223.920 2.6298 -7.521408      3.746125 
1 1 1 16 17 17 o 115.145 1.5598 132.623  2.5389  113.167 2.1937 117.124 2.2181 -3.956894      3.119649 
1 1 1 16 17 19 o 180.589 1.8717 330.558  4.5901  173.413 3.0628 187.765 2.1523 -14.35132      3.743445 
1 1 1 16 17 21 o 155.648 1.8563 245.315  3.7775  151.811 3.1564 159.485 1.9548 -7.673752      3.712677 
1 1 1 16 17 23 o 39.406  4.9746 16.269   2.1500  38.122  9.1821 40.689  3.8309 -2.567089      9.949243 
1 1 1 16 17 25 o 93.322  2.1907 86.898   2.5005  94.018  3.8685 92.626  2.0568 1.392052       4.381332 
1 1 1 16 17 27 o 39.000  5.1972 17.381   1.9978  34.183  9.9016 43.817  3.1622 -9.634377      10.39430 
1 1 1 16 17 29 o 32.143  6.9862 10.602   3.3437  27.897  8.8572 36.390  10.806 -8.493303      13.97243 
1 1 1 16 17 31 o 26.466  6.7280 5.8395   3.3362  28.759  8.6977 24.174  10.267 4.584320       13.45605 
1 1 1 16 17 33 o 18.525  5.7579 -4.7169  3.3437  21.423  8.5653 15.627  7.6974 5.795684       11.51581 
1 1 1 16 17 35 o 31.891  6.9758 11.288   3.4827  26.213  9.2923 37.568  10.407 -11.35499      13.95158 
1 1 1 16 17 37 o 83.286  3.6562 72.705   4.2776  82.345  4.8376 84.227  5.4835 -1.881203      7.312402 
1 1 1 16 17 39 o 33.810  7.1327 15.828   3.7045  36.168  8.8414 31.452  11.195 4.716017       14.26542 
1 1 1 16 17 41 o 29.839  7.3929 13.344   3.8129  28.996  9.8399 30.682  11.036 -1.686781      14.78575 
1 1 1 16 18 0  o 179.278 2.8677 321.800  10.276  179.278 2.8677 ?       ?      0.000000       0.000000 
1 1 1 16 18 2  o 213.339 1.7410 454.989  5.2479  218.666 2.4818 208.013 2.4424 10.65231       3.482020 
1 1 1 16 18 4  o 115.297 1.5402 132.998  2.5110  115.947 2.1908 114.647 2.1653 1.300354       3.080343 
1 1 1 16 18 6  o 246.319 1.9813 607.528  6.8979  248.373 2.7428 244.265 2.8599 4.108093       3.962550 
1 1 1 16 18 8  o 204.440 1.6874 418.200  4.8768  205.411 2.4171 203.468 2.3551 1.943207       3.374701 
1 1 1 16 18 10 o 262.016 2.0118 687.149  7.4314  261.632 2.7141 262.400 2.9702 -0.7677307     4.023529 
1 1 1 16 18 12 o 245.910 1.9441 604.525  6.7231  243.041 2.5892 248.778 2.9008 -5.736694      3.888258 
1 1 1 16 18 14 o 17.616  4.8784 1.6947   1.7878  19.322  7.1766 15.910  6.6100 3.412609       9.756771 
1 1 1 16 18 16 o 97.063  1.5980 94.234   2.1923  95.102  2.2461 99.023  2.2738 -3.921059      3.196092 
1 1 1 16 18 18 o 180.644 1.8433 326.871  4.7008  179.678 2.6990 181.610 2.5113 -1.932281      3.686667 
1 1 1 16 18 20 f 74.368  2.3535 56.023   2.1966  72.958  4.1148 75.779  2.2856 -2.821060      4.706967 
1 1 1 16 18 22 o 41.617  4.1282 18.332   1.7747  39.506  7.7285 43.727  2.9046 -4.221214      8.256332 
1 1 1 16 18 24 o 34.465  5.1892 14.077   2.2193  26.321  9.6057 42.609  3.9293 -16.28750      10.37834 
1 1 1 16 18 26 o 72.006  2.7998 53.568   2.1251  69.633  5.2233 74.380  2.0181 -4.746994      5.599617 
1 1 1 16 18 28 o 61.909  3.7697 38.981   3.2745  62.121  4.9256 61.697  5.7081 0.4245605      7.539430 
1 1 1 16 18 30 o 33.386  6.4274 10.310   3.2922  20.967  8.3842 45.806  9.7444 -24.83891      12.85486 
1 1 1 16 18 32 o 27.339  7.0843 6.6934   3.5697  28.293  9.0456 26.385  10.905 1.907894       14.16869 
1 1 1 16 18 34 o 27.447  6.6935 6.7449   3.3084  19.524  8.2957 35.369  10.507 -15.84532      13.38699 
1 1 1 16 18 36 o 24.400  6.7044 4.5258   3.6149  27.961  9.5862 20.838  9.3756 7.123062       13.40880 
1 1 1 16 18 38 o 21.655  6.6427 2.0047   3.9618  23.354  9.4300 19.956  9.3582 3.398094       13.28534 
1 1 1 16 18 40 o 22.583  6.7709 5.1959   3.7633  23.050  9.1845 22.116  9.9512 0.9335079      13.54185 
1 1 1 16 18 42 o 32.385  7.6048 17.517   4.1519  34.920  10.249 29.849  11.238 5.071117       15.20956 
1 1 1 16 19 1  o 82.937  1.8194 68.417   2.1221  88.048  2.6228 77.826  2.5221 10.22121       3.638704 
1 1 1 16 19 3  o 112.156 1.6742 127.457  2.5518  116.747 1.9286 107.565 2.7373 9.182747       3.348444 
1 1 1 16 19 5  o 259.389 2.0094 673.989  7.3517  261.724 2.7132 257.054 2.9646 4.670197       4.018746 
1 1 1 16 19 7  o 282.118 2.0249 794.744  8.0561  290.869 2.9375 273.367 2.7877 17.50122       4.049741 
1 1 1 16 19 9  o 278.382 2.0676 775.740  8.1366  280.884 2.9598 275.880 2.8879 5.003235       4.135204 
1 1 1 16 19 11 o 247.015 1.9581 610.385  6.8353  242.150 2.7418 251.880 2.7963 -9.729507      3.916204 
1 1 1 16 19 13 o 90.436  1.8802 81.440   2.3538  88.439  2.3500 92.434  2.9355 -3.994492      3.760324 
1 1 1 16 19 15 o 18.098  4.8855 1.8731   1.8181  20.829  7.2362 15.367  6.5659 5.462477       9.771087 
1 1 1 16 19 17 o 99.291  1.7067 98.736   2.3955  99.874  2.3700 98.708  2.4565 1.166061       3.413389 
1 1 1 16 19 19 o 121.271 1.8018 147.230  3.0819  122.166 2.6464 120.377 2.4459 1.789223       3.603623 
1 1 1 16 19 21 o 126.999 2.0176 159.082  3.2950  130.947 3.4389 123.051 2.1113 7.896461       4.035269 
1 1 1 16 19 23 o 79.433  2.4764 62.562   2.4235  81.008  4.3473 77.858  2.3728 3.150246       4.952736 
1 1 1 16 19 25 o 77.287  2.6773 59.114   2.2801  78.747  4.9120 75.827  2.1318 2.920601       5.354657 
1 1 1 16 19 27 o 36.582  5.5175 14.604   2.1022  34.137  10.397 39.027  3.6982 -4.889832      11.03493 
1 1 1 16 19 29 o 46.725  5.0886 22.026   3.2883  41.846  6.7603 51.604  7.6076 -9.758125      10.17725 
1 1 1 16 19 31 o 20.028  6.1297 -2.9853  3.5415  22.286  8.7332 17.771  8.6038 4.515085       12.25939 
1 1 1 16 19 33 o 29.480  7.5484 8.3601   3.6916  22.759  8.7710 36.202  12.287 -13.44252      15.09673 
1 1 1 16 19 35 o 22.771  6.6978 3.1348   3.5239  22.814  8.9159 22.727  9.9976 0.8704376E-01  13.39568 
1 1 1 16 19 37 o 16.549  5.5039 -4.4403  3.2654  18.904  8.6023 14.193  6.8682 4.710421       11.00782 
1 1 1 16 19 39 o 25.633  7.1152 9.0397   3.7548  25.382  9.7251 25.884  10.389 -0.5021725     14.23043 
1 1 1 16 19 41 o 21.598  6.7794 5.0032   4.0177  19.609  8.7603 23.587  10.349 -3.977694      13.55876 
1 1 1 16 20 0  o 278.567 3.1096 776.846  17.320  278.567 3.1096 ?       ?      0.000000       0.000000 
1 1 1 16 20 2  o 146.275 1.8409 211.279  3.7229  154.244 2.8446 138.305 2.3376 15.93939       3.681868 
1 1 1 16 20 4  o 115.088 1.9786 133.389  3.1238  117.562 2.3572 112.612 3.1785 4.950058       3.957171 
1 1 1 16 20 6  o 174.543 1.7780 304.909  4.3846  174.902 2.5746 174.183 2.4527 0.7189941      3.555918 
1 1 1 16 20 8  o 146.380 1.5775 214.616  3.2616  149.576 2.1614 143.185 2.2982 6.391174       3.154962 
1 1 1 16 20 10 o 237.505 1.9432 564.972  6.5232  240.351 2.6902 234.658 2.8047 5.693161       3.886355 
1 1 1 16 20 12 f 166.994 1.6861 278.486  3.9701  171.530 2.4570 162.458 2.3099 9.072128       3.372293 
1 1 1 16 20 14 o 142.829 1.7460 204.098  3.5065  141.992 2.3176 143.667 2.6120 -1.675003      3.491947 
1 1 1 16 20 16 o 212.738 1.8425 453.193  5.5369  211.406 2.5397 214.069 2.6699 -2.663696      3.684925 
1 1 1 16 20 18 f 124.919 1.7742 156.961  3.1165  130.885 2.3378 118.953 2.6693 11.93198       3.548327 
1 1 1 16 20 20 o 146.901 1.7367 216.056  3.6062  149.037 2.4792 144.765 2.4327 4.271866       3.473357 
1 1 1 16 20 22 o 108.917 2.1401 118.623  3.0846  109.742 3.5773 108.093 2.3500 1.648811       4.280166 
1 1 1 16 20 24 o 76.235  2.6740 57.147   2.4236  78.751  4.7652 73.719  2.4277 5.032120       5.347953 
1 1 1 16 20 26 o 95.325  2.0977 90.561   2.4370  96.533  3.7079 94.116  1.9629 2.417061       4.195463 
1 1 1 16 20 28 o 36.921  6.0745 14.597   2.9369  36.631  6.7120 37.211  10.126 -0.5796127     12.14893 
1 1 1 16 20 30 o 45.844  5.7388 22.142   3.5263  42.955  6.9888 48.733  9.1045 -5.777802      11.47760 
1 1 1 16 20 32 o 47.191  6.5044 27.195   3.7862  56.467  5.4188 37.915  11.826 18.55112       13.00871 
1 1 1 16 20 34 f 33.731  7.2973 13.541   3.6389  30.624  9.1260 36.838  11.390 -6.213743      14.59470 
1 1 1 16 20 36 o 23.665  6.8424 5.6028   3.6142  22.766  9.2906 24.563  10.048 -1.796213      13.68472 
1 1 1 16 20 38 o 19.612  6.1842 -0.8997  3.5249  13.906  6.7795 25.317  10.345 -11.41116      12.36833 
1 1 1 16 20 40 o 18.656  6.2709 -1.1835  4.3780  17.726  8.3162 19.586  9.3881 -1.859331      12.54177 
1 1 1 16 21 1  o 161.115 1.6600 259.782  3.7795  160.939 2.2958 161.291 2.3982 -0.3522339     3.319959 
1 1 1 16 21 3  o 252.664 2.0456 639.348  7.2939  253.429 2.7792 251.898 3.0024 1.531021       4.091242 
1 1 1 16 21 5  o 160.500 1.6677 257.898  3.7760  161.045 2.2585 159.955 2.4543 1.089935       3.335316 
1 1 1 16 21 7  f 95.283  1.6723 90.928   2.2516  93.011  2.4207 97.556  2.3080 -4.544250      3.344658 
1 1 1 16 21 9  o 152.337 1.6485 232.348  3.5503  153.664 2.2918 151.009 2.3703 2.655334       3.297082 
1 1 1 16 21 11 o 128.453 1.7420 165.921  3.1440  134.142 2.2810 122.763 2.6335 11.37923       3.484042 
1 1 1 16 21 13 o 148.247 1.7209 219.991  3.6062  150.247 2.4592 146.247 2.4080 4.000763       3.441838 
1 1 1 16 21 15 o 64.457  2.4986 41.311   2.2508  61.168  3.3034 67.746  3.7496 -6.578152      4.997205 
1 1 1 16 21 17 o 71.001  2.2764 50.635   2.2771  72.147  3.0408 69.855  3.3885 2.292618       4.552806 
1 1 1 16 21 19 o 173.422 1.9172 300.056  4.6753  167.061 2.5918 179.783 2.8259 -12.72240      3.834457 
1 1 1 16 21 21 o 116.133 1.7971 135.440  2.9443  111.460 2.6416 120.806 2.4372 -9.345879      3.594198 
1 1 1 16 21 23 o 57.498  3.0987 32.799   2.2414  59.196  5.3640 55.799  3.1039 3.396549       6.197329 
1 1 1 16 21 25 o 81.396  3.8014 68.675   2.9857  79.301  7.2073 83.490  2.4202 -4.189384      7.602831 
1 1 1 16 21 27 f 82.013  1.9638 67.578   2.1983  82.056  3.1661 81.971  2.3242 0.8570862E-01  3.927577 
1 1 1 16 21 29 o 28.985  7.0122 8.1099   3.7171  32.781  9.0447 25.189  10.718 7.591560       14.02437 
1 1 1 16 21 31 o 72.890  3.8470 56.507   3.5528  77.057  3.7461 68.723  6.7205 8.333389       7.694083 
1 1 1 16 21 33 o 74.957  4.0675 58.281   4.0467  71.690  4.5902 78.224  6.7161 -6.534393      8.134908 
1 1 1 16 21 35 o 20.707  6.5402 0.4784   3.9588  21.334  9.1257 20.080  9.3712 1.254669       13.08042 
1 1 1 16 21 37 o 36.719  6.6433 19.180   3.7440  44.176  7.1879 29.263  11.174 14.91291       13.28657 
1 1 1 16 21 39 o 19.696  6.3890 2.1684   4.0454  19.946  8.9726 19.445  9.0978 0.5011673      12.77805 
1 1 1 16 22 0  o 165.493 2.5130 274.228  8.3135  165.493 2.5130 ?       ?      0.000000       0.000000 
1 1 1 16 22 2  o 118.043 1.7807 139.179  2.9662  123.196 2.5306 112.890 2.5059 10.30618       3.561341 
1 1 1 16 22 4  o 122.168 1.6878 149.367  2.9129  121.557 2.3272 122.778 2.4451 -1.221016      3.375571 
1 1 1 16 22 6  o 194.164 2.0042 377.511  5.4457  194.010 2.5889 194.317 3.0602 -0.3073883     4.008361 
1 1 1 16 22 8  o 113.934 1.7767 130.132  2.8551  115.661 2.3959 112.206 2.6240 3.454948       3.553316 
1 1 1 16 22 10 o 192.040 1.8076 369.510  4.9066  193.833 2.5019 190.248 2.6097 3.584824       3.615286 
1 1 1 16 22 12 o 89.734  1.9175 80.858   2.4193  91.480  2.5244 87.989  2.8870 3.490822       3.834990 
1 1 1 16 22 14 o 26.450  4.8716 7.0433   2.0784  34.257  6.3029 18.643  7.4300 15.61427       9.743255 
1 1 1 16 22 16 o 152.748 1.9152 232.995  4.0824  150.040 2.4626 155.455 2.9339 -5.415024      3.830388 
1 1 1 16 22 18 f 109.136 1.9472 119.435  3.0010  104.698 2.8122 113.574 2.6941 -8.875908      3.894475 
1 1 1 16 22 20 o 161.666 1.7972 262.482  4.0917  164.025 2.3934 159.308 2.6817 4.717072       3.594448 
1 1 1 16 22 22 o 177.628 1.9316 316.950  4.8495  174.118 2.7852 181.138 2.6772 -7.020386      3.863282 
1 1 1 16 22 24 o 43.831  5.5640 19.430   2.5707  45.333  10.293 42.329  4.2281 3.003887       11.12796 
1 1 1 16 22 26 o 105.559 2.1455 112.446  3.0508  104.702 3.5289 106.416 2.4413 -1.713539      4.291074 
1 1 1 16 22 28 o 25.864  5.7857 6.6447   2.0275  28.356  9.8281 23.373  6.1078 4.983374       11.57142 
1 1 1 16 22 30 o 18.961  6.0308 -2.6444  3.4658  19.628  8.4487 18.294  8.6081 1.334146       12.06152 
1 1 1 16 22 32 o 15.918  5.3771 -7.2432  3.3805  15.520  7.3215 16.315  7.8772 -0.7948627     10.75427 
1 1 1 16 22 34 o 20.985  6.5206 1.6302   3.7171  21.072  8.7721 20.898  9.6500 0.1742706      13.04115 
1 1 1 16 22 36 o 20.203  6.3831 1.8973   3.5575  19.215  8.2338 21.192  9.7561 -1.977154      12.76626 
1 1 1 16 22 38 o 20.201  6.4730 2.2110   4.0535  16.742  8.0180 23.660  10.164 -6.917240      12.94606 
1 1 1 16 23 1  o 97.788  1.9850 95.874   2.7420  99.679  2.7221 95.897  2.8897 3.782173       3.969946 
1 1 1 16 23 3  o 45.003  3.5045 20.407   2.2223  42.441  5.1691 47.565  4.7336 -5.124550      7.009081 
1 1 1 16 23 5  f 125.392 1.8243 157.494  3.2289  125.399 2.4861 125.384 2.6706 0.1496887E-01  3.648649 
1 1 1 16 23 7  o 88.230  2.4695 77.737   2.9901  89.596  3.9306 86.865  2.9908 2.730919       4.939095 
1 1 1 16 23 9  f 53.206  2.8559 28.819   2.0879  50.254  4.5953 56.158  3.3925 -5.903755      5.711889 
1 1 1 16 23 11 o 40.101  3.7680 16.162   2.1221  39.192  5.0084 41.010  5.6310 -1.818016      7.536024 
1 1 1 16 23 13 o 20.705  5.5112 3.2269   2.1878  20.239  7.5930 21.170  7.9900 -0.9310646     11.02241 
1 1 1 16 23 15 o 43.395  3.7563 19.470   2.2223  49.785  4.4066 37.004  6.0846 12.78132       7.512687 
1 1 1 16 23 17 f 43.147  3.9103 18.955   2.3614  44.979  5.0058 41.315  6.0087 3.664188       7.820638 
1 1 1 16 23 19 f 157.144 1.7934 247.754  3.9802  156.854 2.6133 157.434 2.4569 -0.5800323     3.586871 
1 1 1 16 23 21 o 80.535  2.3316 65.264   2.6544  79.650  3.2617 81.419  3.3326 -1.769005      4.663177 
1 1 1 16 23 23 o 63.157  2.7464 40.182   2.4451  61.639  3.7465 64.675  4.0169 -3.036316      5.492885 
1 1 1 16 23 25 o 22.473  6.0664 3.2109   2.4370  28.805  10.066 16.141  6.7733 12.66408       12.13279 
1 1 1 16 23 27 o 25.170  5.9143 6.3997   2.3040  26.264  9.5273 24.077  7.0103 2.187263       11.82857 
1 1 1 16 23 29 o 66.000  4.6285 46.052   3.9688  66.932  4.8303 65.067  7.8968 1.865326       9.256911 
1 1 1 16 23 31 o 44.990  6.7897 24.092   4.0612  44.273  8.1276 45.707  10.878 -1.434174      13.57939 
1 1 1 16 23 33 o 59.359  4.9054 40.185   3.8610  60.465  5.3469 58.253  8.2258 2.212112       9.810838 
1 1 1 16 23 35 o 69.379  4.8478 57.247   4.2953  75.191  4.7604 63.566  8.4464 11.62441       9.695567 
1 1 1 16 23 37 o 38.213  7.7304 23.903   4.1854  36.451  9.3103 39.975  12.343 -3.524242      15.46082 
1 1 1 16 24 0  o 115.546 2.5510 133.824  5.8887  115.546 2.5510 ?       ?      0.000000       0.000000 
1 1 1 16 24 2  o 63.480  2.5639 40.649   2.2625  65.092  3.1930 61.868  4.0125 3.223763       5.127898 
1 1 1 16 24 4  o 97.783  2.0792 96.175   2.8435  99.837  2.6600 95.729  3.1963 4.107826       4.158392 
1 1 1 16 24 6  o 139.564 2.0047 195.079  3.9443  138.381 2.7118 140.747 2.9533 -2.365921      4.009488 
1 1 1 16 24 8  o 177.032 1.9367 313.374  4.8323  181.103 2.8372 172.962 2.6369 8.140701       3.873343 
1 1 1 16 24 10 o 78.254  2.3279 61.492   2.5610  79.005  3.0691 77.502  3.5011 1.502060       4.655868 
1 1 1 16 24 12 o 83.719  2.3197 70.413   2.7420  85.826  3.1615 81.613  3.3955 4.212585       4.639456 
1 1 1 16 24 14 o 73.386  2.4785 54.074   2.5662  69.464  3.5738 77.307  3.4352 -7.843124      4.957075 
1 1 1 16 24 16 o 106.278 2.1134 113.444  3.1753  104.621 3.0350 107.935 2.9418 -3.313629      4.226791 
1 1 1 16 24 18 o 49.384  2.9872 24.478   2.0639  43.813  4.3484 54.955  4.0971 -11.14172      5.974472 
1 1 1 16 24 20 o 68.645  2.7803 47.763   2.6768  70.491  3.6036 66.800  4.2348 3.690323       5.560583 
1 1 1 16 24 22 o 42.370  4.4213 19.653   2.3677  49.298  4.3330 35.442  7.7082 13.85646       8.842585 
1 1 1 16 24 24 o 58.026  2.9114 33.586   2.3538  52.413  3.9654 63.638  4.2638 -11.22575      5.822731 
1 1 1 16 24 26 o 70.615  3.7507 52.044   2.9439  68.601  6.9008 72.629  2.9411 -4.027237      7.501415 
1 1 1 16 24 28 o 71.724  2.2250 51.373   2.1790  75.166  3.5331 68.282  2.7056 6.883568       4.450073 
1 1 1 16 24 30 o 80.223  3.4326 67.966   3.8286  85.380  4.2600 75.066  5.3836 10.31376       6.865166 
1 1 1 16 24 32 f 22.626  6.9937 3.6501   4.1724  21.695  9.3560 23.557  10.398 -1.862310      13.98744 
1 1 1 16 24 34 o 27.855  7.1438 11.172   3.7963  31.254  10.081 24.457  10.125 6.797024       14.28769 
1 1 1 16 24 36 o 25.149  6.9704 8.6281   4.3333  30.884  10.407 19.414  9.2756 11.46983       13.94088 
1 1 1 16 25 1  o 50.612  3.2178 25.942   2.2713  48.484  5.0012 52.740  4.0502 -4.256748      6.435539 
1 1 1 16 25 3  o 45.029  4.6803 22.272   2.6444  35.108  8.1982 54.950  4.5177 -19.84189      9.360583 
1 1 1 16 25 5  o 110.170 1.9038 121.931  2.9160  111.528 2.3812 108.812 2.9712 2.716385       3.807616 
1 1 1 16 25 7  f 146.285 1.8780 214.790  3.8465  147.749 2.4226 144.821 2.8703 2.927887       3.755997 
1 1 1 16 25 9  o 36.447  5.0520 13.966   2.5110  37.072  7.1056 35.821  7.1834 1.250511       10.10401 
1 1 1 16 25 11 o 38.176  5.8329 15.279   2.9509  36.745  7.0074 39.607  9.3266 -2.861385      11.66576 
1 1 1 16 25 13 o 95.873  2.1353 92.100   2.8577  94.799  2.7405 96.947  3.2753 -2.148209      4.270569 
1 1 1 16 25 15 o 39.329  5.0670 16.208   2.7347  40.756  6.3744 37.901  7.8781 2.855434       10.13391 
1 1 1 16 25 17 o 20.011  5.7794 1.7833   2.5774  19.891  7.9286 20.131  8.4109 -0.2395649     11.55883 
1 1 1 16 25 19 o 34.460  4.8931 12.276   2.3318  27.290  7.4212 41.629  6.3794 -14.33898      9.786237 
1 1 1 16 25 21 o 94.754  2.0464 90.338   2.7420  94.120  2.8829 95.387  2.9052 -1.266968      4.092827 
1 1 1 16 25 23 o 22.757  5.3455 4.4530   2.1558  16.386  6.8774 29.128  8.1853 -12.74115      10.69102 
1 1 1 16 25 25 o 57.692  2.9358 33.385   2.3176  54.122  3.6268 61.262  4.6177 -7.140453      5.871662 
1 1 1 16 25 27 f 37.456  4.6753 14.284   2.3039  47.796  6.4019 27.117  6.8153 20.67833       9.350520 
1 1 1 16 25 29 o 62.454  3.0870 38.333   2.5208  69.889  5.0390 55.020  3.5676 14.86908       6.174064 
1 1 1 16 25 31 o 24.836  6.9418 7.0469   3.7206  26.790  9.7732 22.882  9.8611 3.908274       13.88369 
1 1 1 16 25 33 o 31.885  6.9729 14.707   3.4639  34.093  8.2134 29.677  11.270 4.416426       13.94571 
1 1 1 16 25 35 o 32.950  7.6984 19.675   4.8719  39.963  10.217 25.936  11.519 14.02714       15.39687 
1 1 1 16 26 0  f 101.199 2.6854 102.763  5.4268  101.199 2.6854 ?       ?      0.000000       0.000000 
1 1 1 16 26 2  o 111.464 2.0886 124.630  3.2867  111.633 3.0513 111.296 2.8530 0.3373337      4.177301 
1 1 1 16 26 4  o 86.945  2.3174 74.744   2.8085  79.323  3.1296 94.567  3.4188 -15.24363      4.634883 
1 1 1 16 26 6  o 48.332  3.9339 23.864   2.6544  44.616  6.0817 52.048  4.9915 -7.431751      7.867778 
1 1 1 16 26 8  o 33.109  5.2457 11.641   2.3928  32.296  7.3184 33.922  7.5172 -1.626358      10.49135 
1 1 1 16 26 10 o 27.095  5.7492 7.1042   2.6265  33.648  7.9992 20.542  8.2600 13.10516       11.49847 
1 1 1 16 26 12 o 16.316  5.1235 -4.3031  2.3966  10.468  5.1820 22.163  8.8401 -11.69534      10.24697 
1 1 1 16 26 14 o 48.372  3.9064 24.240   2.5518  51.114  4.4050 45.631  6.4525 5.482807       7.812757 
1 1 1 16 26 16 o 77.657  2.3211 60.797   2.5284  78.289  3.0234 77.026  3.5227 1.263512       4.642294 
1 1 1 16 26 18 o 209.334 2.0090 440.556  5.9442  209.369 2.7850 209.298 2.8963 0.7115173E-01  4.018061 
1 1 1 16 26 20 o 100.248 2.3138 101.258  3.2187  99.830  2.8915 100.667 3.6130 -0.8375397     4.627635 
1 1 1 16 26 22 f 68.243  2.9380 47.337   2.8100  67.791  3.8323 68.695  4.4542 -0.9036789     5.875916 
1 1 1 16 26 24 o 69.018  2.8877 48.004   2.6926  66.428  3.3895 71.608  4.6761 -5.180405      5.775332 
1 1 1 16 26 26 o 23.355  5.9995 4.5270   2.4436  16.346  6.8697 30.365  9.8379 -14.01913      11.99906 
1 1 1 16 26 28 o 21.372  5.8492 3.8392   2.4090  25.914  9.3601 16.829  7.0172 9.084969       11.69836 
1 1 1 16 26 30 o 18.857  6.0273 -0.3753  3.4601  19.126  8.5433 18.587  8.5045 0.5383053      12.05461 
1 1 1 16 26 32 o 26.013  7.7929 8.8327   4.5626  21.407  9.2578 30.619  12.538 -9.212418      15.58574 
1 1 1 16 26 34 f 34.295  6.5066 16.823   3.4293  43.406  9.0729 25.184  9.3288 18.22157       13.01327 
1 1 1 16 27 1  o 109.245 2.1113 119.842  3.2616  109.769 2.9979 108.720 2.9737 1.048752       4.222575 
1 1 1 16 27 3  o 127.967 1.7537 163.836  3.1658  123.792 2.4251 132.142 2.5340 -8.349571      3.507456 
1 1 1 16 27 5  o 122.588 2.0642 150.583  3.5710  117.410 2.9011 127.766 2.9371 -10.35637      4.128306 
1 1 1 16 27 7  o 98.566  2.2406 97.709   3.1079  98.830  2.9792 98.302  3.3476 0.5280075      4.481268 
1 1 1 16 27 9  o 56.623  3.7847 32.574   3.0285  57.972  5.3777 55.273  5.3269 2.698524       7.569357 
1 1 1 16 27 11 o 24.963  5.1115 5.7732   2.2516  17.245  7.3662 32.682  7.0885 -15.43767      10.22293 
1 1 1 16 27 13 o 45.819  4.2018 21.499   2.7024  45.374  6.3618 46.263  5.4908 -0.8894386     8.403651 
1 1 1 16 27 15 o 56.669  3.6751 32.658   2.9398  56.300  5.0247 57.037  5.3646 -0.7374039     7.350222 
1 1 1 16 27 17 o 96.436  2.5201 93.894   3.4290  96.028  3.4269 96.845  3.6960 -0.8171616     5.040236 
1 1 1 16 27 19 o 126.387 2.0550 161.074  3.6476  125.828 2.7070 126.945 3.0925 -1.117302      4.109941 
1 1 1 16 27 21 o 59.809  3.4259 36.457   2.8127  57.823  4.1934 61.796  5.4186 -3.973415      6.851718 
1 1 1 16 27 23 o 65.965  2.9643 44.115   2.7279  61.674  3.9316 70.256  4.4374 -8.581604      5.928564 
1 1 1 16 27 25 o 62.654  3.3503 40.736   2.8719  61.786  4.0179 63.522  5.3622 -1.735977      6.700530 
1 1 1 16 27 27 o 34.127  5.4491 14.029   2.4132  36.910  5.1617 31.345  9.5983 5.565105       10.89816 
1 1 1 16 27 29 o 15.478  5.1797 -2.8818  2.5354  18.938  8.6137 12.018  5.7552 6.920521       10.35944 
1 1 1 16 27 31 o 20.330  6.3859 2.5143   3.5839  19.608  8.4445 21.052  9.5817 -1.444151      12.77180 
1 1 1 16 28 0  o 100.315 3.2302 101.262  6.4660  100.315 3.2302 ?       ?      0.000000       0.000000 
1 1 1 16 28 2  o 74.901  2.6828 57.599   2.7699  83.586  3.2463 66.217  4.2721 17.36876       5.365585 
1 1 1 16 28 4  o 69.011  3.1378 48.068   3.0500  73.689  4.3874 64.333  4.4870 9.356178       6.275507 
1 1 1 16 28 6  o 48.465  3.9521 24.110   2.6842  51.870  5.1199 45.059  6.0219 6.810852       7.904211 
1 1 1 16 28 8  o 80.501  2.6625 65.379   3.0285  79.841  3.6878 81.160  3.8412 -1.319847      5.324908 
1 1 1 16 28 10 o 18.798  5.6144 0.5929   2.5662  18.937  7.8934 18.659  7.9862 0.2776413      11.22873 
1 1 1 16 28 12 o 46.054  4.3997 21.938   2.8289  50.316  5.6222 41.792  6.7690 8.524387       8.799398 
1 1 1 16 28 14 o 23.050  6.4547 2.1938   3.4024  19.901  9.0433 26.199  9.2126 -6.298182      12.90942 
1 1 1 16 28 16 o 36.750  6.0128 14.914   3.1250  29.172  9.0012 44.327  7.9747 -15.15562      12.02566 
1 1 1 16 28 18 o 56.944  3.8100 32.841   2.9691  45.791  5.6735 68.098  5.0867 -22.30655      7.619934 
1 1 1 16 28 20 o 42.499  4.6348 18.568   2.7140  37.358  6.1815 47.639  6.9076 -10.28120      9.269612 
1 1 1 16 28 22 o 37.722  5.3050 15.845   2.6545  38.487  5.8502 36.957  8.8515 1.529915       10.61005 
1 1 1 16 28 24 o 26.501  6.2290 7.6826   2.9695  30.350  7.7665 22.652  9.7409 7.698547       12.45808 
1 1 1 16 28 26 o 17.376  5.4119 0.5458   2.4339  14.536  6.5590 20.217  8.6100 -5.681236      10.82372 
1 1 1 16 28 28 o 20.108  5.5470 4.1952   2.0784  18.737  6.6333 21.478  8.8924 -2.741005      11.09397 
1 1 1 16 28 30 o 34.043  5.1450 14.752   2.2425  31.359  9.0629 36.726  4.8731 -5.366945      10.28997 
1 1 1 16 29 1  o 40.235  5.3790 17.799   2.9083  48.152  5.7550 32.317  9.0892 15.83519       10.75793 
1 1 1 16 29 3  o 49.477  4.3459 24.682   2.9845  56.625  6.0153 42.328  6.2741 14.29739       8.691854 
1 1 1 16 29 5  o 29.223  6.3231 8.8599   2.9015  33.231  9.1124 25.215  8.7688 8.015839       12.64623 
1 1 1 16 29 7  o 126.728 2.2224 161.582  3.9802  124.248 3.1132 129.209 3.1724 -4.960693      4.444763 
1 1 1 16 29 9  o 148.647 1.9224 222.179  4.0404  146.523 2.7187 150.771 2.7187 -4.247940      3.844822 
1 1 1 16 29 11 f 72.494  3.1615 53.518   3.2330  69.507  4.6513 75.480  4.2833 -5.972839      6.323072 
1 1 1 16 29 13 o 58.240  3.7213 34.925   3.0500  58.192  5.5558 58.288  4.9523 -0.9635162E-01 7.442568 
1 1 1 16 29 15 o 64.209  4.0200 43.347   3.4072  61.131  6.7997 67.287  4.2900 -6.156132      8.039937 
1 1 1 16 29 17 o 25.680  6.3219 6.8914   2.8242  25.167  9.0958 26.193  8.7824 -1.025215      12.64373 
1 1 1 16 29 19 o 16.295  5.1797 -1.7904  2.5031  14.346  6.7004 18.245  7.9009 -3.899449      10.35947 
1 1 1 16 29 21 o 18.728  5.5903 1.4905   2.5350  18.204  7.7051 19.252  8.1018 -1.047300      11.18068 
1 1 1 16 29 23 o 62.367  3.3715 40.971   2.9258  59.808  4.3438 64.925  5.1574 -5.117393      6.742989 
1 1 1 16 29 25 o 43.333  5.7077 22.025   2.8733  43.608  4.8984 43.058  10.311 0.5500603      11.41537 
1 1 1 16 29 27 o 33.235  5.3186 14.194   2.3650  38.466  4.9528 28.003  9.4138 10.46319       10.63717 
1 1 1 16 29 29 o 26.723  6.1891 9.8501   2.4727  24.101  7.2879 29.346  10.005 -5.244921      12.37820 
1 1 1 16 30 0  o 37.865  9.1540 16.973   6.0042  37.865  9.1540 ?       ?      0.000000       0.000000 
1 1 1 16 30 2  f 97.046  2.2125 94.902   3.0285  102.408 3.0442 91.684  3.2114 10.72446       4.424984 
1 1 1 16 30 4  o 54.658  4.1423 31.251   3.1165  61.287  4.9926 48.029  6.6112 13.25757       8.284563 
1 1 1 16 30 6  o 62.189  3.4825 39.625   2.9845  62.870  4.2241 61.508  5.5378 1.361347       6.964946 
1 1 1 16 30 8  o 90.327  2.3510 82.571   3.0010  89.923  3.4027 90.731  3.2451 -0.8081131     4.702067 
1 1 1 16 30 10 o 101.801 2.3267 104.803  3.3475  102.360 3.2149 101.243 3.3644 1.116280       4.653435 
1 1 1 16 30 12 o 88.645  2.6949 80.029   3.3771  89.440  3.7438 87.849  3.8773 1.590683       5.389796 
1 1 1 16 30 14 o 23.285  6.2383 4.8495   2.8289  23.807  8.8729 22.764  8.7714 1.042892       12.47661 
1 1 1 16 30 16 o 55.850  3.7258 32.507   2.9342  53.415  5.1880 58.284  5.3489 -4.869324      7.451530 
1 1 1 16 30 18 f 42.381  4.8555 19.404   2.8809  39.736  6.5380 45.025  7.1804 -5.289116      9.711041 
1 1 1 16 30 20 o 45.854  4.6712 22.697   2.9317  42.922  5.7837 48.786  7.3369 -5.863922      9.342452 
1 1 1 16 30 22 o 37.742  5.2793 18.765   2.7122  49.817  4.7514 25.667  9.4290 24.14986       10.55851 
1 1 1 16 30 24 f 24.900  5.7060 7.5822   2.5402  28.938  6.7088 20.862  9.2318 8.076492       11.41198 
1 1 1 16 30 26 o 18.691  5.7744 1.5821   2.7549  18.550  7.2735 18.832  8.9706 -0.2819519     11.54884 
1 1 1 16 31 1  o 44.439  4.6004 20.625   2.8855  45.322  6.2418 43.556  6.7599 1.765755       9.200861 
1 1 1 16 31 3  o 22.303  6.2917 2.7301   3.0819  18.857  8.2431 25.749  9.5076 -6.891033      12.58342 
1 1 1 16 31 5  o 50.284  3.8145 26.086   2.7085  48.806  5.3231 51.763  5.4651 -2.957001      7.629065 
1 1 1 16 31 7  o 56.594  3.8309 33.312   3.0598  58.685  5.2139 54.503  5.6141 4.182465       7.661776 
1 1 1 16 31 9  o 76.413  3.0185 59.800   3.2616  75.674  4.2723 77.152  4.2653 -1.478271      6.036989 
1 1 1 16 31 11 o 64.634  3.7200 43.637   3.3751  61.353  5.6459 67.915  4.8454 -6.561714      7.439998 
1 1 1 16 31 13 o 30.855  6.1621 11.103   2.8277  28.272  8.8387 33.439  8.5884 -5.167328      12.32414 
1 1 1 16 31 15 o 37.083  5.7496 15.904   3.0285  30.308  9.0390 43.858  7.1083 -13.54914      11.49922 
1 1 1 16 31 17 o 13.667  4.7055 -8.5993  2.9083  13.220  6.4461 14.114  6.8568 -0.8942480     9.411035 
1 1 1 16 31 19 o 45.929  5.1686 25.425   3.0884  56.941  5.4750 34.916  8.7683 22.02497       10.33724 
1 1 1 16 31 21 o 22.109  6.2783 5.1870   2.9843  21.759  8.6083 22.460  9.1413 -0.7013664     12.55652 
1 1 1 16 31 23 o 19.365  5.9687 2.3324   2.9097  17.079  7.4729 21.651  9.3090 -4.572052      11.93738 
1 1 1 16 31 25 o 38.830  5.8156 18.555   2.5899  36.317  5.0870 41.342  10.460 -5.025909      11.63123 
1 1 1 16 32 0  o 45.538  7.3117 22.631   6.2351  45.538  7.3117 ?       ?      0.000000       0.000000 
1 1 1 16 32 2  o 30.185  6.4655 10.373   3.0755  27.189  9.6367 33.182  8.6223 -5.993343      12.93096 
1 1 1 16 32 4  o 26.753  6.3890 7.1764   2.9977  20.845  8.4167 32.661  9.6144 -11.81669      12.77799 
1 1 1 16 32 6  o 38.394  5.8560 16.855   3.0884  38.798  8.2792 37.990  8.2839 0.8082314      11.71193 
1 1 1 16 32 8  o 93.052  2.6594 88.836   3.4926  90.180  3.9052 95.925  3.6111 -5.745621      5.318861 
1 1 1 16 32 10 o 65.306  3.1271 44.204   2.8820  65.048  4.2601 65.563  4.5789 -0.5147476     6.254206 
1 1 1 16 32 12 o 19.798  5.6677 -0.9315  3.0010  25.804  9.1185 13.792  6.7338 12.01208       11.33535 
1 1 1 16 32 14 o 52.430  4.8139 31.746   3.2310  59.950  4.9113 44.910  8.2810 15.04065       9.627898 
1 1 1 16 32 16 o 38.229  6.2517 18.872   3.3395  33.769  9.8343 42.689  7.7215 -8.920006      12.50342 
1 1 1 16 32 18 o 34.896  6.4259 15.901   3.1914  33.500  8.8342 36.293  9.3341 -2.793289      12.85180 
1 1 1 16 32 20 o 26.698  7.2043 10.123   3.7019  24.786  9.4247 28.610  10.899 -3.824488      14.40859 
1 1 1 16 32 22 o 21.801  6.1465 5.4712   2.9843  17.394  7.7709 26.208  9.5253 -8.813211      12.29303 
1 1 1 16 33 1  o 116.141 2.3379 137.736  3.8372  115.948 3.2365 116.334 3.3746 -0.3859787     4.675739 
1 1 1 16 33 3  o 99.852  2.4577 102.210  3.4630  97.355  3.6174 102.348 3.3281 -4.993393      4.915402 
1 1 1 16 33 5  o 61.478  3.6626 39.893   3.1753  58.801  5.4000 64.154  4.9495 -5.352757      7.325122 
1 1 1 16 33 7  o 21.152  5.8835 2.0784   2.9595  25.789  8.8718 16.514  7.7299 9.274750       11.76691 
1 1 1 16 33 9  o 44.888  5.3322 23.190   3.2816  43.390  8.2801 46.386  6.7209 -2.995644      10.66444 
1 1 1 16 33 11 o 43.668  5.6445 23.065   3.3771  39.214  8.8897 48.123  6.9582 -8.909122      11.28907 
1 1 1 16 33 13 o 24.911  6.6966 7.5103   3.2412  23.373  9.0297 26.449  9.8915 -3.076157      13.39321 
1 1 1 16 33 15 o 28.248  6.8632 10.965   3.3194  28.760  9.7562 27.736  9.6556 1.023232       13.72641 
1 1 1 16 33 17 o 45.937  5.6061 26.679   3.4348  37.199  9.3221 54.675  6.2299 -17.47635      11.21216 
1 1 1 16 33 19 o 28.526  6.8083 12.182   3.2187  27.427  9.0584 29.625  10.167 -2.197510      13.61667 
1 1 1 16 33 21 o 26.527  6.3257 8.6470   3.7633  34.626  9.0645 18.428  8.8258 16.19745       12.65147 
1 1 1 16 34 0  o 14.778  9.7009 1.1546   6.9279  14.778  9.7009 ?       ?      0.000000       0.000000 
1 1 1 16 34 2  o 21.116  6.1380 3.4936   3.0285  23.874  9.2062 18.359  8.1209 5.514925       12.27607 
1 1 1 16 34 4  o 18.503  5.8679 -0.0031  3.1914  18.614  8.2212 18.391  8.3751 0.2226200      11.73590 
1 1 1 16 34 6  o 35.015  5.9945 15.896   3.3395  45.313  7.0074 24.718  9.7279 20.59540       11.98898 
1 1 1 16 34 8  o 39.284  6.3404 20.284   3.6913  29.459  10.377 49.109  7.2887 -19.65041      12.68084 
1 1 1 16 34 10 o 32.880  6.7196 14.750   3.3974  36.678  8.8938 29.083  10.075 7.594528       13.43924 
1 1 1 16 34 12 o 52.374  4.8513 32.248   3.5757  48.537  7.1368 56.212  6.5731 -7.675388      9.702520 
1 1 1 16 34 14 o 41.676  5.7722 21.894   3.2993  43.053  7.1070 40.298  9.0973 2.755264       11.54432 
1 1 1 16 34 16 o 21.107  6.3039 4.7670   3.3650  22.674  8.9039 19.540  8.9261 3.133837       12.60774 
1 1 1 16 34 18 o 18.085  5.6060 1.0007   2.9262  20.347  8.3433 15.822  7.4900 4.524723       11.21207 
1 1 1 16 35 1  o 19.891  5.9810 2.7823   2.9976  21.147  8.6273 18.635  8.2860 2.511417       11.96193 
1 1 1 16 35 3  f 27.121  7.0733 10.347   3.5710  26.263  9.7466 27.980  10.253 -1.716700      14.14650 
1 1 1 16 35 5  o 19.366  6.1156 0.8602   3.4553  16.818  7.8716 21.914  9.3616 -5.095901      12.23118 
1 1 1 16 35 7  o 18.413  5.7499 0.4036   3.1017  20.164  8.3681 16.663  7.8880 3.500313       11.49982 
1 1 1 16 35 9  o 31.580  7.0415 14.049   3.6734  24.236  9.4351 38.924  10.455 -14.68782      14.08299 
1 1 1 16 35 11 o 31.903  6.8341 14.926   3.5221  39.002  9.8973 24.804  9.4267 14.19805       13.66822 
1 1 1 16 35 13 o 32.661  6.9560 16.967   3.5785  36.605  9.5291 28.717  10.136 7.888401       13.91194 
1 1 1 16 36 0  o 12.850  8.8400 -1.5010  7.0433  12.850  8.8400 ?       ?      0.000000       0.000000 
1 1 1 16 36 2  o 21.235  6.2760 4.8495   3.1490  18.348  8.0880 24.122  9.5987 -5.774120      12.55194 
1 1 1 16 36 4  o 18.357  5.9238 0.7274   3.4630  17.264  8.0917 19.449  8.6540 -2.184326      11.84762 
1 1 1 16 36 6  o 53.991  4.7129 35.721   3.5785  51.339  7.0845 56.644  6.2172 -5.304436      9.425742 
1 1 1 16 36 8  o 25.855  7.1779 10.771   3.8372  24.950  9.9707 26.760  10.328 -1.809933      14.35588 
1 1 1 17 1  0  o 679.327 6.6727 4618.12  90.640  679.327 6.6727 ?       ?      0.000000       0.000000 
1 1 1 17 1  2  o 719.380 4.3559 5163.56  43.004  711.982 5.2625 726.779 6.9427 -14.79730      8.711787 
1 1 1 17 1  4  o 627.632 3.8607 3932.98  33.329  622.609 4.6920 632.655 6.1323 -10.04553      7.721344 
1 1 1 17 1  6  o 333.404 2.3227 1112.72  10.499  334.188 2.6950 332.620 3.7838 1.568237       4.645420 
1 1 1 17 1  8  f 305.712 2.1257 935.079  8.9898  306.097 2.6216 305.326 3.3468 0.7711487      4.251354 
1 1 1 17 1  10 f 443.651 2.8712 1969.30  17.577  443.775 3.5125 443.527 4.5428 0.2478943      5.742384 
1 1 1 17 1  12 o 508.673 3.4287 2572.40  23.177  500.382 3.8190 516.965 5.6954 -16.58322      6.857304 
1 1 1 17 1  14 o 11.522  3.8333 -3.5936  1.5841  11.289  5.1712 11.756  5.6600 -0.4670467     7.666589 
1 1 1 17 1  16 o 197.447 1.6343 389.681  4.5492  198.950 2.4085 195.944 2.2098 3.006241       3.268660 
1 1 1 17 1  18 o 186.172 1.7639 349.810  4.5750  196.084 2.2082 176.260 2.7513 19.82382       3.527883 
1 1 1 17 1  20 o 60.803  2.1755 36.414   1.8403  65.686  3.2520 55.919  2.8908 9.766903       4.351074 
1 1 1 17 1  22 o 205.035 1.6725 420.638  4.8495  204.387 2.3727 205.683 2.3578 -1.295227      3.344963 
1 1 1 17 1  24 o 141.708 1.4860 201.136  2.9707  139.649 2.1911 143.768 2.0078 -4.119324      2.971901 
1 1 1 17 1  26 o 62.370  2.3711 39.512   2.0296  58.889  3.8234 65.851  2.8055 -6.962078      4.742249 
1 1 1 17 1  28 o 173.224 1.6843 300.522  3.9618  173.503 1.9632 172.946 2.7373 0.5573883      3.368525 
1 1 1 17 1  30 o 138.635 1.7465 191.241  3.1534  136.749 1.8576 140.521 2.9581 -3.772552      3.492965 
1 1 1 17 1  32 o 65.633  2.3796 41.551   2.0100  60.635  2.5708 70.632  4.0051 -9.997425      4.759164 
1 1 1 17 1  34 o 40.118  3.8911 16.918   1.9808  42.845  3.9076 37.391  6.7301 5.453876       7.782260 
1 1 1 17 1  36 o 22.992  5.1785 5.2338   1.9612  25.301  6.5628 20.684  8.0123 4.617466       10.35704 
1 1 1 17 1  38 o 53.014  3.3967 28.237   2.3916  51.723  3.7950 54.305  5.6345 -2.581654      6.793375 
1 1 1 17 1  40 o 43.960  5.1315 20.419   2.7845  43.878  4.9998 44.042  8.9628 -0.1641312     10.26301 
1 1 1 17 1  42 o 59.333  3.1322 36.512   2.5659  60.616  3.8097 58.049  4.9727 2.566631       6.264318 
1 1 1 17 1  44 o 27.554  6.0015 9.4188   2.5298  26.632  7.8966 28.477  9.0397 -1.845320      12.00302 
1 1 1 17 1  46 o 15.964  5.1466 -2.0419  2.7177  17.681  7.6474 14.247  6.8896 3.433827       10.29318 
1 1 1 17 2  1  f 716.969 4.2110 5144.30  42.689  715.346 6.0287 718.593 5.8809 -3.247131      8.422036 
1 1 1 17 2  3  o 560.986 3.5219 3152.01  27.571  564.197 4.4819 557.775 5.4340 6.422180       7.043844 
1 1 1 17 2  5  o 315.432 2.2101 997.864  9.6929  319.511 2.7645 311.353 3.4489 8.158203       4.420126 
1 1 1 17 2  7  f 195.554 1.6646 384.421  4.5250  200.501 2.0732 190.606 2.6048 9.894562       3.329142 
1 1 1 17 2  9  o 263.136 1.8818 693.383  6.8819  264.655 2.3559 261.618 2.9350 3.037567       3.763569 
1 1 1 17 2  11 o 69.951  2.1104 49.116   2.0768  72.551  2.7851 67.351  3.1716 5.200790       4.220885 
1 1 1 17 2  13 o 361.529 2.5370 1306.31  12.914  358.098 3.4017 364.959 3.7649 -6.860657      5.074060 
1 1 1 17 2  15 o 188.214 1.5396 353.722  4.0917  182.020 2.1568 194.408 2.1975 -12.38866      3.079115 
1 1 1 17 2  17 o 296.086 2.0758 877.344  8.6878  298.798 2.8789 293.374 2.9912 5.423553       4.151525 
1 1 1 17 2  19 o 71.460  1.8566 51.085   1.8759  71.097  2.5985 71.823  2.6526 -0.7259979     3.713232 
1 1 1 17 2  21 o 194.791 1.6660 379.491  4.5881  197.708 2.3653 191.873 2.3469 5.835114       3.332039 
1 1 1 17 2  23 o 59.541  2.2204 35.642   1.8186  58.610  3.5461 60.471  2.6732 -1.861118      4.440770 
1 1 1 17 2  25 o 154.052 1.6165 237.511  3.5217  153.228 2.2983 154.877 2.2739 -1.648926      3.233063 
1 1 1 17 2  27 o 60.293  2.2131 36.961   1.8312  56.598  3.5702 63.988  2.6165 -7.390144      4.426286 
1 1 1 17 2  29 o 72.689  2.1211 53.893   1.9485  75.183  2.0733 70.194  3.7011 4.988876       4.242254 
1 1 1 17 2  31 o 127.893 1.6673 162.556  2.9310  124.358 2.0427 131.428 2.6356 -7.069191      3.334512 
1 1 1 17 2  33 o 92.469  1.8440 84.809   2.3176  89.572  2.1914 95.365  2.9664 -5.792511      3.688041 
1 1 1 17 2  35 o 68.420  2.4795 47.028   2.2095  68.263  2.6218 68.577  4.2093 -0.3140640     4.958994 
1 1 1 17 2  37 o 42.714  4.1277 18.637   2.3772  42.808  4.7203 42.620  6.7729 0.1875000      8.255467 
1 1 1 17 2  39 o 58.306  3.0305 33.652   2.4367  51.836  4.0095 64.776  4.5454 -12.94012      6.061090 
1 1 1 17 2  41 o 19.044  5.6332 0.1260   2.7292  20.924  7.8918 17.163  8.0406 3.761629       11.26642 
1 1 1 17 2  43 o 22.833  5.9836 5.2582   2.5428  21.165  7.9894 24.501  8.9096 -3.336355      11.96715 
1 1 1 17 2  45 o 18.247  5.5657 1.0318   2.7085  19.991  8.1749 16.503  7.5549 3.487289       11.13132 
1 1 1 17 2  47 o 16.731  5.5239 -1.2000  3.2165  17.931  8.2705 15.530  7.3248 2.401226       11.04781 
1 1 1 17 3  0  o 341.340 3.4004 1165.61  23.208  341.340 3.4004 ?       ?      0.000000       0.000000 
1 1 1 17 3  2  o 531.148 3.2162 2820.42  24.136  523.656 4.4651 538.640 4.6302 -14.98450      6.432413 
1 1 1 17 3  4  o 423.012 2.6973 1789.98  16.136  422.460 3.8127 423.565 3.8164 -1.104980      5.394643 
1 1 1 17 3  6  o 145.731 1.4762 212.412  3.0087  145.792 1.9008 145.670 2.2590 0.1214294      2.952309 
1 1 1 17 3  8  o 223.394 1.7912 498.309  5.5506  221.796 2.2385 224.992 2.7969 -3.196274      3.582421 
1 1 1 17 3  10 o 316.244 2.6275 996.363  11.126  319.676 4.3343 312.812 2.9714 6.864258       5.255047 
1 1 1 17 3  12 o 388.000 3.1187 1506.75  16.262  388.171 3.5398 387.828 5.1357 0.3428650      6.237397 
1 1 1 17 3  14 o 164.680 1.5134 271.400  3.5217  168.554 2.0893 160.806 2.1900 7.747650       3.026795 
1 1 1 17 3  16 o 171.672 1.5345 294.899  3.7235  173.943 2.1242 169.402 2.2152 4.540634       3.069088 
1 1 1 17 3  18 o 128.159 1.5926 164.238  2.8855  125.705 2.2504 130.613 2.2543 -4.908401      3.185284 
1 1 1 17 3  20 o 85.569  1.6943 73.128   2.0458  89.818  2.3783 81.320  2.4138 8.497650       3.388590 
1 1 1 17 3  22 o 324.313 2.2225 1053.18  10.188  326.534 3.0764 322.092 3.2084 4.442474       4.445007 
1 1 1 17 3  24 o 85.940  1.6621 73.741   2.0140  88.120  2.4241 83.760  2.2746 4.359756       3.324127 
1 1 1 17 3  26 o 128.045 1.5622 164.075  2.8289  127.729 2.2147 128.361 2.2039 -0.6312256     3.124431 
1 1 1 17 3  28 o 141.173 1.5636 200.512  3.0560  144.396 1.9191 137.950 2.4692 6.446259       3.127275 
1 1 1 17 3  30 o 21.419  4.9611 3.7209   1.9808  25.683  6.5079 17.155  7.4899 8.528063       9.922246 
1 1 1 17 3  32 o 60.809  2.7629 38.157   2.1317  64.138  2.7004 57.479  4.8211 6.658661       5.525872 
1 1 1 17 3  34 o 60.733  2.6021 37.597   2.1802  64.515  3.1321 56.951  4.1563 7.563965       5.204269 
1 1 1 17 3  36 o 44.721  3.8402 20.567   2.2980  46.082  4.2596 43.361  6.3909 2.720581       7.680329 
1 1 1 17 3  38 o 38.379  4.3882 15.629   2.2146  40.995  4.7881 35.762  7.3552 5.232864       8.776430 
1 1 1 17 3  40 o 27.189  5.7702 8.0440   2.4028  28.277  7.5956 26.101  8.6885 2.175714       11.54047 
1 1 1 17 3  42 o 31.717  6.2932 11.554   2.8311  29.420  7.8838 34.013  9.8114 -4.592695      12.58643 
1 1 1 17 3  44 o 18.777  5.5769 2.3212   2.4845  18.331  7.5712 19.223  8.1905 -0.8921585     11.15380 
1 1 1 17 3  46 o 22.802  5.9449 5.6217   2.7663  17.434  7.7119 28.171  9.0496 -10.73731      11.88985 
1 1 1 17 4  1  o 734.333 4.4616 5396.03  46.303  730.367 6.1893 738.299 6.4277 -7.932068      8.923165 
1 1 1 17 4  3  f 681.863 4.0442 4652.90  38.998  683.010 5.7224 680.717 5.7163 2.292236       8.088378 
1 1 1 17 4  5  o 528.518 3.2698 2796.05  24.407  524.032 4.7703 533.002 4.4734 -8.969971      6.539689 
1 1 1 17 4  7  o 306.533 2.1795 941.633  9.1092  304.639 3.5249 308.427 2.5644 -3.787903      4.359015 
1 1 1 17 4  9  o 333.473 2.2280 1112.39  10.507  333.958 3.1463 332.989 3.1554 0.9695129      4.456001 
1 1 1 17 4  11 o 157.553 1.3864 248.007  3.0819  155.520 1.8932 159.585 2.0259 -4.065201      2.772817 
1 1 1 17 4  13 o 184.596 1.5923 340.698  4.1535  183.096 2.2072 186.096 2.2957 -3.000229      3.184624 
1 1 1 17 4  15 o 241.359 1.8100 582.568  6.1725  242.696 2.6167 240.022 2.5015 2.674576       3.620012 
1 1 1 17 4  17 o 241.327 1.8995 583.665  6.4578  236.682 2.8295 245.971 2.5349 -9.289917      3.798921 
1 1 1 17 4  19 o 170.418 1.6058 290.652  3.8672  168.740 2.3265 172.096 2.2141 -3.355865      3.211687 
1 1 1 17 4  21 o 255.190 2.0610 651.650  7.3781  254.967 2.6945 255.413 3.1193 -0.4451141     4.121940 
1 1 1 17 4  23 o 187.596 1.5669 352.167  4.1567  188.889 2.2006 186.304 2.2312 2.585098       3.133815 
1 1 1 17 4  25 o 130.618 1.6566 170.637  3.0555  131.984 2.4058 129.252 2.2780 2.732117       3.313176 
1 1 1 17 4  27 o 55.731  2.5249 31.447   1.9561  52.461  3.9618 59.001  3.1312 -6.540379      5.049747 
1 1 1 17 4  29 o 132.933 1.6251 176.529  2.9691  131.849 1.9704 134.016 2.5847 -2.167175      3.250109 
1 1 1 17 4  31 o 116.443 1.7463 135.243  2.7111  115.219 1.9542 117.667 2.8948 -2.447899      3.492641 
1 1 1 17 4  33 o 69.936  2.4629 49.141   2.3176  70.032  2.8028 69.840  4.0505 0.1922455      4.925701 
1 1 1 17 4  35 o 72.330  2.4178 52.762   2.4261  73.096  3.0013 71.564  3.7916 1.532150       4.835695 
1 1 1 17 4  37 o 63.804  2.6943 40.885   2.3904  62.426  3.4218 65.183  4.1628 -2.756931      5.388655 
1 1 1 17 4  39 o 76.626  2.3995 59.310   2.5864  75.743  3.2013 77.508  3.5753 -1.765114      4.799066 
1 1 1 17 4  41 f 20.650  5.5046 2.4498   2.3677  15.015  6.7611 26.286  8.6885 -11.27109      11.00918 
1 1 1 17 4  43 o 37.618  5.2183 16.039   2.7085  39.591  6.5620 35.645  8.1156 3.945171       10.43662 
1 1 1 17 4  45 o 37.589  5.3088 17.570   2.6827  43.737  5.5439 31.440  9.0553 12.29694       10.61760 
1 1 1 17 4  47 o 18.881  6.1772 0.6540   3.9443  19.355  8.8076 18.408  8.6637 0.9463043      12.35449 
1 1 1 17 5  0  f 223.403 2.2488 499.269  10.045  223.403 2.2488 ?       ?      0.000000       0.000000 
1 1 1 17 5  2  o 178.111 1.4431 316.049  3.6225  186.943 2.0691 169.279 2.0122 17.66319       2.886193 
1 1 1 17 5  4  o 138.327 1.4993 192.903  2.7525  135.570 2.5125 141.084 1.6368 -5.514587      2.998645 
1 1 1 17 5  6  o 80.187  1.6616 64.061   1.7590  80.905  2.7830 79.469  1.8162 1.435326       3.323168 
1 1 1 17 5  8  o 381.272 2.6913 1452.56  13.806  382.506 4.4223 380.037 3.0686 2.469269       5.382673 
1 1 1 17 5  10 o 631.332 3.8878 3989.76  33.704  631.623 6.2063 631.040 4.6842 0.5834961      7.775545 
1 1 1 17 5  12 o 452.691 3.1141 2052.02  19.904  448.595 4.5558 456.788 4.2466 -8.193146      6.228118 
1 1 1 17 5  14 o 140.698 1.4362 197.892  2.8551  142.215 2.0703 139.181 1.9910 3.034714       2.872382 
1 1 1 17 5  16 o 218.538 1.7372 477.709  5.3685  220.308 2.4633 216.769 2.4502 3.538254       3.474411 
1 1 1 17 5  18 o 228.724 1.7490 522.828  5.6483  232.405 2.5338 225.043 2.4115 7.362030       3.497909 
1 1 1 17 5  20 o 280.953 2.0500 788.699  8.1071  284.751 3.0412 277.154 2.7496 7.597443       4.099906 
1 1 1 17 5  22 o 133.201 1.4729 177.587  2.7663  132.656 2.1760 133.746 1.9856 -1.089691      2.945792 
1 1 1 17 5  24 o 39.770  3.0482 15.932   1.6987  38.386  4.6624 41.155  3.9279 -2.768444      6.096395 
1 1 1 17 5  26 o 91.798  1.6681 84.294   2.1615  92.518  2.4336 91.078  2.2820 1.440186       3.336148 
1 1 1 17 5  28 o 181.768 1.7720 330.983  4.4906  182.298 2.2485 181.239 2.7395 1.058640       3.544076 
1 1 1 17 5  30 o 174.530 1.7189 304.823  4.1504  173.887 2.1249 175.173 2.7025 -1.285980      3.437818 
1 1 1 17 5  32 o 132.318 1.6943 175.057  3.0868  131.433 2.0645 133.204 2.6872 -1.770828      3.388659 
1 1 1 17 5  34 o 51.189  3.0757 26.221   2.2043  45.760  4.4158 56.618  4.2827 -10.85807      6.151446 
1 1 1 17 5  36 o 45.777  3.5551 21.349   2.2508  46.303  4.3639 45.251  5.6136 1.052242       7.110278 
1 1 1 17 5  38 o 26.316  5.3105 6.4062   2.3677  17.332  7.2786 35.300  7.7348 -17.96854      10.62100 
1 1 1 17 5  40 o 25.873  5.9456 7.1946   2.4845  26.158  7.9253 25.589  8.8651 0.5697041      11.89123 
1 1 1 17 5  42 o 19.170  5.6647 1.7994   2.5662  19.219  7.9447 19.121  8.0770 0.9717941E-01  11.32940 
1 1 1 17 5  44 o 25.394  5.9377 7.9631   2.5084  22.999  8.2600 27.789  8.5321 -4.790073      11.87537 
1 1 1 17 5  46 o 19.525  5.7975 3.2428   2.7122  19.856  8.2132 19.194  8.1847 0.6621208      11.59507 
1 1 1 17 6  1  o 536.785 3.6320 2883.15  27.211  536.812 5.5924 536.757 4.6357 0.5511475E-01  7.263960 
1 1 1 17 6  3  o 402.336 3.1909 1626.63  16.654  398.584 5.4461 406.089 3.3267 -7.505554      6.381782 
1 1 1 17 6  5  o 18.066  3.9737 2.5991   1.3432  13.790  6.1526 22.342  5.0308 -8.552053      7.947496 
1 1 1 17 6  7  f 417.338 2.6994 1745.22  15.641  414.344 4.2218 420.332 3.3651 -5.988220      5.398840 
1 1 1 17 6  9  o 196.950 1.9858 388.884  4.8872  196.158 3.4729 197.743 1.9269 -1.584885      3.971670 
1 1 1 17 6  11 o 342.116 2.4207 1171.33  11.395  341.716 3.8520 342.517 2.9328 -0.8014526     4.841436 
1 1 1 17 6  13 o 194.428 1.7248 376.095  4.4939  197.164 2.8403 191.692 1.9576 5.472473       3.449565 
1 1 1 17 6  15 o 204.551 1.7486 418.901  4.8722  204.004 2.8300 205.098 2.0548 -1.093933      3.497292 
1 1 1 17 6  17 o 276.999 2.0859 767.897  8.1690  274.060 2.9913 279.939 2.9079 -5.878632      4.171770 
1 1 1 17 6  19 o 89.235  1.6022 79.578   2.0140  88.331  2.1568 90.138  2.3698 -1.807129      3.204366 
1 1 1 17 6  21 o 114.463 1.5830 129.287  2.5298  124.164 2.3248 104.762 2.1492 19.40247       3.166075 
1 1 1 17 6  23 o 38.915  3.3298 15.271   1.8181  36.539  5.0560 41.290  4.3345 -4.750778      6.659651 
1 1 1 17 6  25 o 72.347  1.9657 52.632   1.9713  70.902  3.0942 73.791  2.4253 -2.889275      3.931431 
1 1 1 17 6  27 o 125.337 1.6933 157.083  2.9976  127.796 2.4395 122.878 2.3492 4.918396       3.386687 
1 1 1 17 6  29 o 92.762  1.8235 86.186   2.3163  92.753  2.1785 92.770  2.9249 -0.1676941E-01 3.647032 
1 1 1 17 6  31 o 181.159 1.7913 329.386  4.4347  182.337 2.1214 179.982 2.8869 2.355148       3.582526 
1 1 1 17 6  33 o 26.532  5.3702 7.3851   2.1299  28.007  7.1811 25.058  7.9866 2.948423       10.74032 
1 1 1 17 6  35 o 61.993  2.5837 38.904   2.1593  62.864  2.9388 61.122  4.2504 1.741756       5.167458 
1 1 1 17 6  37 o 40.830  3.9412 16.826   2.2508  38.097  5.3039 43.564  5.8310 -5.466949      7.882419 
1 1 1 17 6  39 o 50.636  3.0649 26.153   2.1938  51.491  4.2606 49.780  4.4070 1.710228       6.129826 
1 1 1 17 6  41 o 28.831  5.3770 8.8669   2.4951  19.553  7.8185 38.109  7.3837 -18.55590      10.75395 
1 1 1 17 6  43 o 22.649  5.8414 5.4667   2.4845  24.185  8.0002 21.113  8.5137 3.071594       11.68273 
1 1 1 17 6  45 o 20.626  5.8239 4.5083   2.5688  20.172  8.1996 21.080  8.2726 -0.9083843     11.64773 
1 1 1 17 6  47 o 15.645  5.0990 -1.7571  2.6507  13.400  6.4483 17.890  7.9004 -4.490163      10.19791 
1 1 1 17 7  0  o 480.848 4.2390 2313.22  40.759  480.848 4.2390 ?       ?      0.000000       0.000000 
1 1 1 17 7  2  o 323.741 3.1964 1037.04  13.019  330.123 5.5437 317.358 3.1835 12.76416       6.392794 
1 1 1 17 7  4  o 582.681 3.5883 3404.69  28.883  577.736 5.6759 587.625 4.3916 -9.889099      7.176536 
1 1 1 17 7  6  o 302.175 2.6080 904.137  9.6941  307.254 4.5847 297.095 2.4873 10.15903       5.215964 
1 1 1 17 7  8  o 281.641 2.4097 799.003  8.8983  277.259 4.0812 286.022 2.5634 -8.763275      4.819490 
1 1 1 17 7  10 o 296.908 2.2548 883.501  9.3307  294.106 3.4941 299.709 2.8509 -5.602539      4.509576 
1 1 1 17 7  12 o 252.236 1.8843 636.585  6.4766  252.040 3.0465 252.432 2.2184 -0.3916321     3.768631 
1 1 1 17 7  14 o 76.081  1.8250 58.003   1.7932  75.809  3.1223 76.353  1.8903 -0.5438843     3.649964 
1 1 1 17 7  16 o 112.703 1.5965 124.957  2.3650  116.895 2.6670 108.512 1.7557 8.382484       3.192998 
1 1 1 17 7  18 o 224.253 2.2118 502.881  7.0087  217.810 3.1277 230.697 3.1281 -12.88750      4.423543 
1 1 1 17 7  20 o 215.655 1.9685 465.671  5.9250  215.050 3.0336 216.259 2.5094 -1.208694      3.936983 
1 1 1 17 7  22 o 119.608 1.7633 143.075  2.9505  119.133 2.2776 120.082 2.6923 -0.9488297     3.526509 
1 1 1 17 7  24 o 106.451 1.6133 113.542  2.4234  108.378 2.1840 104.523 2.3751 3.854591       3.226599 
1 1 1 17 7  26 o 149.222 1.4916 222.869  3.1461  152.626 2.0804 145.818 2.1380 6.807098       2.983134 
1 1 1 17 7  28 o 158.243 1.7425 250.871  3.8950  159.415 2.3902 157.070 2.5361 2.345245       3.484974 
1 1 1 17 7  30 o 94.832  1.7983 90.359   2.3788  96.338  2.2772 93.325  2.7838 3.012550       3.596532 
1 1 1 17 7  32 o 75.186  2.2649 56.955   2.3928  77.883  2.9651 72.489  3.4247 5.394829       4.529886 
1 1 1 17 7  34 o 48.621  3.4828 24.571   2.2862  53.191  3.9074 44.052  5.7665 9.139343       6.965586 
1 1 1 17 7  36 o 75.184  2.1607 56.912   2.2508  75.503  2.6762 74.864  3.3931 0.6391068      4.321500 
1 1 1 17 7  38 f 54.705  3.1004 30.177   2.3538  52.718  3.9424 56.693  4.7862 -3.975399      6.200828 
1 1 1 17 7  40 o 27.350  5.3891 8.2557   2.2516  22.893  7.9852 31.806  7.2394 -8.913702      10.77829 
1 1 1 17 7  42 o 38.555  4.2079 16.159   2.2193  36.463  6.5733 40.647  5.2552 -4.184170      8.415815 
1 1 1 17 7  44 f 22.138  5.9671 5.1382   2.6444  19.028  7.9101 25.247  8.9363 -6.219019      11.93426 
1 1 1 17 7  46 o 15.308  5.0242 -1.4439  2.6011  15.606  7.3163 15.010  6.8877 0.5959167      10.04832 
1 1 1 17 8  1  f 272.819 1.8925 742.836  7.2775  266.559 2.5773 279.079 2.7720 -12.52026      3.785078 
1 1 1 17 8  3  o 506.809 3.0764 2567.79  22.028  497.047 4.2860 516.572 4.4145 -19.52527      6.152850 
1 1 1 17 8  5  o 248.291 2.2559 621.468  7.2172  244.375 3.8744 252.207 2.3120 -7.831726      4.511800 
1 1 1 17 8  7  o 116.783 1.8688 134.667  2.6680  119.196 3.2936 114.370 1.7667 4.825706       3.737509 
1 1 1 17 8  9  o 234.530 2.1247 550.532  6.6950  234.182 3.5007 234.878 2.4088 -0.6951752     4.249372 
1 1 1 17 8  11 o 132.349 1.4822 175.936  2.6139  130.926 2.4693 133.771 1.6400 -2.845383      2.964321 
1 1 1 17 8  13 o 292.857 2.1140 857.500  8.4562  293.476 3.4032 292.238 2.5089 1.238373       4.228084 
1 1 1 17 8  15 o 258.657 2.0296 673.977  7.1634  252.735 3.2894 264.580 2.3784 -11.84560      4.059188 
1 1 1 17 8  17 o 142.497 1.7620 203.113  3.5484  141.830 2.4423 143.164 2.5405 -1.333527      3.524093 
1 1 1 17 8  19 o 229.592 2.1791 523.168  6.3418  233.120 3.7643 226.062 2.1963 7.057983       4.358150 
1 1 1 17 8  21 o 126.662 1.8248 165.324  3.0106  118.074 3.1293 135.250 1.8782 -17.17567      3.649635 
1 1 1 17 8  23 o 154.785 1.6609 242.005  3.4470  150.848 2.7556 158.723 1.8550 -7.874603      3.321793 
1 1 1 17 8  25 o 97.700  1.8873 96.732   2.2892  95.604  3.3213 99.797  1.7933 -4.193275      3.774529 
1 1 1 17 8  27 o 82.934  2.2582 69.179   2.5158  82.068  3.7284 83.799  2.5491 -1.730789      4.516460 
1 1 1 17 8  29 o 77.093  1.9530 59.230   2.0404  75.849  2.2834 78.337  3.1690 -2.487564      3.905967 
1 1 1 17 8  31 o 52.404  2.8319 27.596   2.0383  52.439  3.4129 52.369  4.5199 0.6983566E-01  5.663702 
1 1 1 17 8  33 o 16.795  5.0229 -0.0156  2.0971  17.629  7.0116 15.960  7.1941 1.669290       10.04581 
1 1 1 17 8  35 o 19.245  5.2183 2.6958   1.9880  18.465  7.1810 20.025  7.5735 -1.559500      10.43667 
1 1 1 17 8  37 o 44.491  3.2442 20.447   1.9913  49.757  3.9450 39.226  5.1513 10.53069       6.488347 
1 1 1 17 8  39 o 18.846  5.0817 1.9743   2.0491  22.781  7.6863 14.911  6.6494 7.869562       10.16332 
1 1 1 17 8  41 o 21.757  5.5504 4.3862   2.3207  18.851  7.9280 24.662  7.7701 -5.810501      11.10086 
1 1 1 17 8  43 o 30.169  4.9427 10.870   2.0719  27.819  7.6511 32.518  6.2597 -4.699083      9.885486 
1 1 1 17 8  45 f 16.085  5.0037 0.2724   2.2501  17.257  7.3178 14.913  6.8264 2.344239       10.00748 
1 1 1 17 9  0  o 307.430 2.9113 945.540  17.897  307.430 2.9113 ?       ?      0.000000       0.000000 
1 1 1 17 9  2  o 428.339 2.9369 1836.58  17.782  420.536 4.2283 436.143 4.0770 -15.60773      5.873713 
1 1 1 17 9  4  o 236.564 1.8050 560.110  6.0296  234.086 2.6389 239.043 2.4634 -4.956970      3.610059 
1 1 1 17 9  6  f 49.030  2.2103 23.868   1.5032  50.618  3.4217 47.443  2.7988 3.174232       4.420538 
1 1 1 17 9  8  o 208.094 1.8813 433.938  5.4879  205.565 2.8646 210.622 2.4395 -5.057724      3.762635 
1 1 1 17 9  10 o 401.032 2.7528 1611.22  15.051  399.563 4.4502 402.501 3.2416 -2.937927      5.505695 
1 1 1 17 9  12 o 142.836 1.5454 203.689  3.0107  143.699 2.4909 141.973 1.8299 1.726166       3.090805 
1 1 1 17 9  14 o 169.848 1.6462 289.961  3.8197  167.120 2.6600 172.576 1.9403 -5.455414      3.292463 
1 1 1 17 9  16 o 258.388 2.4665 667.619  8.8882  259.704 3.8013 257.072 3.1441 2.631714       4.933086 
1 1 1 17 9  18 o 377.077 2.5701 1431.08  13.352  369.239 4.0965 384.915 3.1047 -15.67599      5.140106 
1 1 1 17 9  20 o 392.750 2.7065 1549.67  14.614  388.736 4.3217 396.765 3.2594 -8.028839      5.413023 
1 1 1 17 9  22 o 266.385 2.1422 708.983  7.7261  268.038 3.4893 264.732 2.4861 3.306183       4.284369 
1 1 1 17 9  24 o 158.477 1.7637 247.751  3.5889  162.956 3.0114 153.999 1.8369 8.956818       3.527445 
1 1 1 17 9  26 o 157.183 1.7402 248.540  3.6437  155.221 2.9011 159.144 1.9227 -3.922318      3.480373 
1 1 1 17 9  28 o 84.037  2.0121 71.097   2.1650  83.239  3.4678 84.835  2.0416 -1.595818      4.024175 
1 1 1 17 9  30 o 57.039  2.5146 32.076   1.9398  59.883  4.0491 54.194  2.9828 5.689072       5.029164 
1 1 1 17 9  32 o 30.246  4.3382 9.5202   1.6984  29.479  7.4375 31.012  4.4679 -1.532591      8.676335 
1 1 1 17 9  34 o 64.997  3.2202 41.524   2.2407  66.995  5.9460 62.999  2.4743 3.995502       6.440307 
1 1 1 17 9  36 o 55.393  2.6237 29.469   1.6868  59.011  4.6960 51.774  2.3417 7.236938       5.247422 
1 1 1 17 9  38 o 37.676  4.9983 15.926   2.3039  33.334  8.9776 42.017  4.3969 -8.683128      9.996507 
1 1 1 17 9  40 o 52.630  3.1042 27.300   2.1347  57.412  5.1284 47.847  3.4991 9.565235       6.208444 
1 1 1 17 9  42 o 38.591  4.0361 16.035   1.9485  38.591  6.9889 38.590  4.0393 0.1907349E-03  8.072214 
1 1 1 17 9  44 o 27.146  5.1594 7.0704   1.9957  39.839  8.3798 14.453  6.0212 25.38558       10.31875 
1 1 1 17 9  46 o 21.624  6.7456 4.6994   4.0008  24.290  10.362 18.959  8.6391 5.331165       13.49116 
1 1 1 17 10 1  o 292.473 2.2240 856.658  9.0740  294.152 2.8262 290.795 3.4346 3.356476       4.447948 
1 1 1 17 10 3  o 386.165 2.6657 1492.78  14.457  387.547 3.5008 384.783 4.0210 2.764282       5.331424 
1 1 1 17 10 5  o 379.003 2.4084 1437.30  12.895  379.898 3.3129 378.107 3.4965 1.791199       4.816756 
1 1 1 17 10 7  o 306.270 2.5081 939.023  10.846  308.800 3.4213 303.739 3.6684 5.061066       5.016213 
1 1 1 17 10 9  o 80.323  2.0295 65.789   1.9614  77.907  3.6311 82.740  1.8142 -4.833557      4.059094 
1 1 1 17 10 11 o 205.998 1.7229 424.081  4.9336  206.929 2.6784 205.067 2.1678 1.862305       3.445703 
1 1 1 17 10 13 o 93.994  1.7033 89.645   2.0260  91.467  2.9666 96.520  1.6748 -5.053825      3.406668 
1 1 1 17 10 15 o 95.403  1.6883 89.083   2.1982  102.081 2.6581 88.724  2.0822 13.35711       3.376559 
1 1 1 17 10 17 o 205.752 1.9005 427.528  5.1450  201.307 3.2120 210.198 2.0325 -8.891052      3.801050 
1 1 1 17 10 19 f 275.084 2.0514 760.867  7.7509  270.607 3.2855 279.560 2.4575 -8.953217      4.102884 
1 1 1 17 10 21 o 66.242  2.0391 41.045   1.7785  76.984  3.2247 55.500  2.4965 21.48346       4.078132 
1 1 1 17 10 23 o 156.749 1.7225 246.834  3.5606  155.359 2.8985 158.140 1.8619 -2.780853      3.444993 
1 1 1 17 10 25 o 180.319 1.8256 325.658  4.3738  180.132 3.0448 180.507 2.0150 -0.3748016     3.651105 
1 1 1 17 10 27 o 137.022 1.7040 188.431  3.1083  136.246 2.8390 137.797 1.8853 -1.551651      3.408024 
1 1 1 17 10 29 o 47.260  3.8060 22.657   1.9501  46.761  7.0373 47.758  2.9012 -0.9967308     7.611906 
1 1 1 17 10 31 o 51.287  2.7154 25.280   1.7931  55.816  4.5511 46.758  2.9633 9.057617       5.430790 
1 1 1 17 10 33 o 139.258 1.6590 193.388  3.0416  141.032 2.7836 137.485 1.8056 3.547165       3.317969 
1 1 1 17 10 35 o 98.121  1.7331 94.728   2.1154  101.366 3.0186 94.875  1.7038 6.490646       3.466244 
1 1 1 17 10 37 o 58.379  2.5818 34.353   1.8702  58.668  4.5266 58.091  2.4846 0.5774345      5.163672 
1 1 1 17 10 39 o 82.744  3.3941 70.746   3.7838  83.856  3.8554 81.632  5.5871 2.223984       6.788196 
1 1 1 17 10 41 o 29.402  6.9865 10.184   3.2753  27.840  8.6424 30.964  10.980 -3.123671      13.97292 
1 1 1 17 10 43 o 29.330  7.3550 11.840   3.9534  32.176  10.139 26.483  10.657 5.693338       14.71008 
1 1 1 17 10 45 o 15.122  5.2010 -7.2105  3.5803  15.578  7.4582 14.666  7.2510 0.9118977      10.40201 
1 1 1 17 11 0  o 378.375 4.0597 1432.69  30.714  378.375 4.0597 ?       ?      0.000000       0.000000 
1 1 1 17 11 2  o 359.208 2.4479 1290.21  12.352  360.786 3.6804 357.630 3.2286 3.155975       4.895851 
1 1 1 17 11 4  o 127.910 1.4073 163.902  2.5389  124.931 2.0795 130.890 1.8966 -5.958847      2.814528 
1 1 1 17 11 6  o 381.466 3.2166 1455.37  16.004  380.833 3.4109 382.100 5.4544 -1.267639      6.433106 
1 1 1 17 11 8  f 320.543 2.3479 1028.72  10.508  321.641 2.9975 319.446 3.6145 2.194916       4.695745 
1 1 1 17 11 10 f 39.611  3.0282 14.952   1.6204  47.544  4.3714 31.677  4.1918 15.86676       6.056436 
1 1 1 17 11 12 o 227.642 1.9904 523.554  6.1010  221.282 3.2873 234.002 2.2451 -12.71970      3.980841 
1 1 1 17 11 14 o 236.495 2.1251 559.135  6.5507  236.982 3.6055 236.009 2.2505 0.9726257      4.250221 
1 1 1 17 11 16 o 229.069 2.0399 522.604  6.1176  231.462 3.4421 226.676 2.1903 4.785614       4.079878 
1 1 1 17 11 18 o 62.867  2.2129 36.371   1.7705  72.895  3.6432 52.839  2.5130 20.05642       4.425805 
1 1 1 17 11 20 o 110.747 1.9740 119.799  2.6812  115.091 3.4612 106.403 1.8990 8.687263       3.947949 
1 1 1 17 11 22 o 179.066 1.8431 323.946  4.5242  172.952 2.9709 185.180 2.1823 -12.22874      3.686280 
1 1 1 17 11 24 o 31.368  4.3618 10.430   1.6861  29.147  7.7765 33.590  3.9531 -4.443617      8.723559 
1 1 1 17 11 26 o 87.781  1.9473 76.141   2.1154  89.771  3.4084 85.791  1.8842 3.980644       3.894598 
1 1 1 17 11 28 o 118.252 1.9370 137.826  2.7712  121.225 3.4289 115.279 1.8029 5.945930       3.874033 
1 1 1 17 11 30 o 140.176 1.6234 196.886  3.0903  140.093 2.6374 140.260 1.8934 -0.1670990     3.246700 
1 1 1 17 11 32 o 28.655  4.4956 9.0460   1.5105  25.531  8.3021 31.779  3.4517 -6.247753      8.991107 
1 1 1 17 11 34 o 28.492  4.5841 8.0404   1.5322  30.159  8.2058 26.824  4.0892 3.334915       9.168238 
1 1 1 17 11 36 o 44.861  5.9751 22.285   3.4863  49.564  6.0569 40.157  10.301 9.406982       11.95018 
1 1 1 17 11 38 o 35.745  6.7493 14.853   3.8208  43.347  6.9257 28.144  11.586 15.20254       13.49862 
1 1 1 17 11 40 o 19.072  6.1084 -1.7403  3.4399  18.441  8.0702 19.703  9.1717 -1.262726      12.21672 
1 1 1 17 11 42 o 25.852  6.8971 8.1282   3.5606  27.776  9.1485 23.928  10.324 3.848267       13.79425 
1 1 1 17 11 44 o 18.187  6.0160 -2.3820  3.8916  18.448  8.5466 17.927  8.4689 0.5215874      12.03195 
1 1 1 17 12 1  o 479.598 3.0688 2302.10  20.806  480.800 4.4068 478.397 4.2720 2.403473       6.137577 
1 1 1 17 12 3  o 162.033 1.4996 262.462  3.4329  156.512 2.1394 167.555 2.1018 -11.04338      2.999127 
1 1 1 17 12 5  o 399.545 2.9936 1600.49  16.801  404.610 3.9239 394.480 4.5222 10.13013       5.987264 
1 1 1 17 12 7  o 335.489 2.5022 1125.61  11.833  337.808 3.6915 333.170 3.3790 4.638245       5.004473 
1 1 1 17 12 9  o 144.477 1.5824 208.818  3.2330  145.536 2.2214 143.419 2.2542 2.117828       3.164876 
1 1 1 17 12 11 o 86.338  2.0620 74.693   2.3310  86.059  3.4884 86.617  2.1995 -0.5580139     4.123933 
1 1 1 17 12 13 o 177.077 1.9957 314.393  4.3911  176.443 3.5010 177.712 1.9167 -1.268753      3.991378 
1 1 1 17 12 15 o 160.910 1.9456 260.972  4.0194  158.569 3.3496 163.251 1.9804 -4.681458      3.891215 
1 1 1 17 12 17 o 35.765  4.5693 12.627   1.8413  37.246  8.2774 34.284  3.8730 2.961926       9.138659 
1 1 1 17 12 19 o 51.945  4.3059 31.124   2.1500  43.800  8.2117 60.090  2.5941 -16.28988      8.611732 
1 1 1 17 12 21 o 151.551 1.7487 235.650  3.5249  141.285 2.9421 161.818 1.8909 -20.53343      3.497346 
1 1 1 17 12 23 o 18.404  4.7587 -0.8358  1.7061  28.140  8.5107 8.6682  4.2601 19.47162       9.517335 
1 1 1 17 12 25 o 53.294  3.5237 28.447   1.9285  53.442  6.5897 53.146  2.4985 0.2958069      7.047424 
1 1 1 17 12 27 o 34.021  4.7283 11.779   1.7272  34.125  8.7549 33.917  3.5745 0.2075615      9.456541 
1 1 1 17 12 29 o 129.982 1.6205 168.578  2.8527  131.453 2.6351 128.511 1.8868 2.942276       3.240967 
1 1 1 17 12 31 o 44.553  3.5847 20.796   2.0596  40.961  6.2016 48.145  3.5974 -7.184101      7.169453 
1 1 1 17 12 33 o 44.348  5.1818 20.205   3.1081  36.660  7.6516 52.036  6.9897 -15.37627      10.36353 
1 1 1 17 12 35 o 34.664  6.7550 12.619   3.3013  28.612  8.7066 40.715  10.330 -12.10292      13.51003 
1 1 1 17 12 37 o 19.090  5.7912 -1.0658  3.0010  22.291  8.8561 15.888  7.4647 6.402880       11.58245 
1 1 1 17 12 39 f 24.605  6.8104 5.0475   3.5629  26.414  9.3779 22.796  9.8784 3.617708       13.62086 
1 1 1 17 12 41 o 19.119  5.9597 0.0136   3.2020  19.660  8.0689 18.579  8.7729 1.080450       11.91933 
1 1 1 17 12 43 o 26.559  6.8397 9.8310   3.3650  27.768  9.1485 25.351  10.170 2.416941       13.67948 
1 1 1 17 12 45 o 31.019  7.2156 15.259   4.5945  39.565  10.046 22.473  10.360 17.09215       14.43115 
1 1 1 17 13 0  o 180.900 2.2986 327.458  8.3135  180.900 2.2986 ?       ?      0.000000       0.000000 
1 1 1 17 13 2  o 150.770 1.4093 227.522  3.0010  152.743 1.9277 148.797 2.0564 3.945389       2.818594 
1 1 1 17 13 4  o 32.148  4.1473 11.520   1.7012  39.317  3.8178 24.979  7.3638 14.33778       8.294601 
1 1 1 17 13 6  o 369.398 2.5420 1365.78  13.277  368.442 3.6353 370.354 3.5542 -1.912170      5.084024 
1 1 1 17 13 8  o 416.741 2.7529 1738.74  16.223  419.181 3.8563 414.302 3.9296 4.879608       5.505750 
1 1 1 17 13 10 o 142.287 1.5267 200.947  2.9901  138.217 1.8796 146.357 2.4062 -8.139801      3.053329 
1 1 1 17 13 12 o 43.201  3.6356 20.264   1.9204  36.141  6.4633 50.262  3.3310 -14.12120      7.271207 
1 1 1 17 13 14 f 147.683 1.6291 217.713  3.1366  148.408 2.7620 146.958 1.7285 1.449341       3.258276 
1 1 1 17 13 16 o 241.139 1.9373 584.975  6.5159  234.322 3.0058 247.956 2.4447 -13.63426      3.874513 
1 1 1 17 13 18 o 131.855 1.7964 179.778  3.0483  122.530 3.1097 141.180 1.7993 -18.65044      3.592732 
1 1 1 17 13 20 o 235.721 2.2358 561.082  6.6820  231.952 3.8828 239.490 2.2178 -7.538589      4.471549 
1 1 1 17 13 22 o 219.586 1.8919 486.466  5.6601  214.079 3.0743 225.094 2.2057 -11.01474      3.783752 
1 1 1 17 13 24 o 88.038  2.2606 80.555   2.2574  83.614  4.1428 92.462  1.8107 -8.847878      4.521219 
1 1 1 17 13 26 o 107.074 2.1397 116.658  2.6942  104.672 3.8609 109.476 1.8457 -4.803429      4.279383 
1 1 1 17 13 28 o 41.878  5.1626 20.655   1.7659  36.106  10.037 47.650  2.4232 -11.54339      10.32524 
1 1 1 17 13 30 o 61.768  2.3294 39.753   1.7932  57.544  4.1134 65.993  2.1871 -8.449020      4.658729 
1 1 1 17 13 32 o 50.365  4.3246 25.823   2.9901  49.511  5.2472 51.219  6.8757 -1.708214      8.649199 
1 1 1 17 13 34 o 103.070 2.9268 106.937  4.1567  101.144 3.5960 104.996 4.6188 -3.852142      5.853557 
1 1 1 17 13 36 o 35.777  6.6322 14.455   3.2635  37.661  7.1568 33.894  11.168 3.766399       13.26434 
1 1 1 17 13 38 o 25.783  6.7651 6.3939   3.2474  26.414  8.5935 25.153  10.451 1.261513       13.53021 
1 1 1 17 13 40 o 34.729  6.3275 15.051   3.4264  42.292  6.8254 27.165  10.657 15.12720       12.65495 
1 1 1 17 13 42 f 44.682  4.9334 23.311   3.1165  45.318  7.0066 44.046  6.9469 1.272476       9.866721 
1 1 1 17 13 44 o 20.308  6.6132 2.8805   4.1980  18.474  8.4454 22.141  10.179 -3.667543      13.22630 
1 1 1 17 14 1  o 336.745 2.2912 1134.76  10.911  335.940 3.2308 337.549 3.2496 -1.609009      4.582407 
1 1 1 17 14 3  o 275.705 2.1651 754.154  8.2707  265.867 2.7361 285.543 3.3563 -19.67630      4.330178 
1 1 1 17 14 5  o 57.194  2.0015 32.757   1.6144  56.638  2.9560 57.751  2.6991 -1.112713      4.002923 
1 1 1 17 14 7  o 263.295 1.9382 693.588  7.2147  262.519 2.7050 264.071 2.7765 -1.551880      3.876341 
1 1 1 17 14 9  o 171.256 1.5655 292.714  3.7442  169.088 2.0145 173.423 2.3969 -4.334900      3.130972 
1 1 1 17 14 11 o 46.307  2.1630 21.387   1.4091  49.920  3.0069 42.694  3.1102 7.226269       4.326043 
1 1 1 17 14 13 o 119.222 1.5065 142.145  2.5389  117.238 2.1175 121.206 2.1434 -3.967949      3.012969 
1 1 1 17 14 15 o 110.640 1.6334 125.871  2.3962  102.567 2.7581 118.712 1.7508 -16.14529      3.266824 
1 1 1 17 14 17 o 83.509  2.1780 71.283   2.2268  80.611  3.8674 86.407  2.0044 -5.796440      4.355978 
1 1 1 17 14 19 o 168.478 1.7946 286.018  4.0612  165.350 2.9678 171.606 2.0185 -6.255814      3.589187 
1 1 1 17 14 21 o 287.665 2.2019 832.980  8.7595  281.701 3.4840 293.629 2.6936 -11.92834      4.403865 
1 1 1 17 14 23 o 112.606 1.9269 130.329  2.7643  106.771 3.3524 118.441 1.9010 -11.66981      3.853883 
1 1 1 17 14 25 f 90.979  2.2420 83.512   2.4867  90.017  3.9764 91.940  2.0722 -1.923401      4.483909 
1 1 1 17 14 27 o 60.326  3.0856 36.923   1.8587  59.623  5.8098 61.030  2.0811 -1.407223      6.171255 
1 1 1 17 14 29 o 41.155  4.1604 19.900   1.8976  31.560  7.7332 50.751  3.0714 -19.19104      8.320793 
1 1 1 17 14 31 o 31.721  5.7458 10.729   2.6113  27.283  8.2162 36.159  8.0345 -8.875805      11.49168 
1 1 1 17 14 33 o 35.539  6.3534 13.303   3.1299  30.015  8.4761 41.062  9.4667 -11.04749      12.70679 
1 1 1 17 14 35 o 58.251  4.2113 34.019   3.2474  53.699  4.8380 62.803  6.8944 -9.104595      8.422532 
1 1 1 17 14 37 o 29.736  6.8671 9.3882   3.4168  23.665  9.1216 35.806  10.268 -12.14156      13.73416 
1 1 1 17 14 39 o 56.345  4.8624 34.110   3.6567  54.172  5.5417 58.517  7.9914 -4.344803      9.724857 
1 1 1 17 14 41 o 36.629  6.7121 17.568   3.4876  33.305  9.2242 39.953  9.7532 -6.648277      13.42424 
1 1 1 17 14 43 o 16.190  5.4778 -2.9801  3.1299  14.453  6.7310 17.928  8.6441 -3.475547      10.95568 
1 1 1 17 15 0  o 318.129 3.1220 1012.74  19.860  318.129 3.1220 ?       ?      0.000000       0.000000 
1 1 1 17 15 2  o 151.413 1.6621 229.817  3.4611  152.546 2.0058 150.279 2.6507 2.266602       3.324128 
1 1 1 17 15 4  o 288.730 2.0585 834.342  8.3920  289.357 2.8132 288.104 3.0058 1.251984       4.116925 
1 1 1 17 15 6  f 379.137 2.4767 1439.05  13.278  381.217 3.4680 377.057 3.5369 4.160461       4.953473 
1 1 1 17 15 8  o 184.916 1.6115 342.041  4.2137  186.507 2.2906 183.325 2.2674 3.182175       3.223068 
1 1 1 17 15 10 o 97.350  1.5944 94.854   2.1938  99.218  2.2111 95.481  2.2976 3.736168       3.188771 
1 1 1 17 15 12 o 207.698 1.7200 431.741  5.0514  208.505 2.4089 206.891 2.4556 1.614014       3.439907 
1 1 1 17 15 14 o 168.176 1.5662 283.014  3.7217  168.036 2.2676 168.315 2.1609 -0.2794189     3.132313 
1 1 1 17 15 16 o 127.251 1.8226 164.673  3.0703  122.193 3.0710 132.309 1.9635 -10.11568      3.645100 
1 1 1 17 15 18 o 111.173 1.7923 126.834  2.6532  103.498 3.0122 118.848 1.9431 -15.34943      3.584510 
1 1 1 17 15 20 o 32.890  4.8493 12.149   1.9473  27.541  8.8687 38.239  3.9254 -10.69829      9.698559 
1 1 1 17 15 22 o 53.785  3.9222 28.763   2.1805  54.434  7.3180 53.135  2.8249 1.299129       7.844369 
1 1 1 17 15 24 o 223.092 2.0750 495.982  6.0567  225.891 3.5014 220.293 2.2276 5.597794       4.149933 
1 1 1 17 15 26 o 124.576 2.0676 157.621  3.1030  121.939 3.6929 127.213 1.8607 -5.272942      4.135184 
1 1 1 17 15 28 o 62.233  3.2124 39.518   2.3733  61.006  5.7727 63.461  2.8202 -2.455448      6.424736 
1 1 1 17 15 30 o 27.087  6.2240 6.7835   3.0309  31.896  8.1215 22.279  9.4336 9.616720       12.44796 
1 1 1 17 15 32 o 44.946  5.0026 21.911   2.9160  50.989  5.2084 38.904  8.5426 12.08471       10.00515 
1 1 1 17 15 34 f 30.163  6.7216 9.9227   3.1825  30.482  8.7938 29.845  10.168 0.6367798      13.44319 
1 1 1 17 15 36 o 27.807  7.6094 6.5320   3.8457  21.492  8.7316 34.123  12.465 -12.63034      15.21877 
1 1 1 17 15 38 o 28.004  6.3255 8.3416   3.3250  33.979  7.9491 22.029  9.8417 11.94989       12.65098 
1 1 1 17 15 40 o 20.995  6.3518 2.9099   3.3805  21.448  8.7821 20.542  9.1790 0.9050236      12.70351 
1 1 1 17 15 42 o 18.667  5.8341 1.4439   3.0307  18.655  8.2326 18.680  8.2687 -0.2464485E-01 11.66820 
1 1 1 17 16 1  o 174.122 1.7724 300.592  4.2745  167.537 2.2399 180.707 2.7475 -13.16977      3.544839 
1 1 1 17 16 3  o 220.813 1.7841 486.228  5.5375  215.123 2.3885 226.503 2.6508 -11.37999      3.568141 
1 1 1 17 16 5  o 67.624  2.0535 45.782   1.9629  66.386  2.9568 68.862  2.8505 -2.475792      4.107041 
1 1 1 17 16 7  o 47.199  2.6818 22.288   1.7878  45.428  3.8126 48.970  3.7726 -3.542595      5.363601 
1 1 1 17 16 9  f 67.184  1.9135 45.103   1.8144  68.771  2.7703 65.598  2.6403 3.173553       3.826964 
1 1 1 17 16 11 o 59.468  2.2683 35.395   1.9034  56.413  3.2748 62.524  3.1394 -6.111286      4.536587 
1 1 1 17 16 13 o 106.942 1.5844 114.431  2.3955  104.918 2.2561 108.965 2.2253 -4.047127      3.168852 
1 1 1 17 16 15 o 142.380 1.6780 202.008  3.3475  138.520 2.2089 146.242 2.5266 -7.721939      3.356020 
1 1 1 17 16 17 o 150.185 1.7573 226.693  3.3863  148.940 3.0235 151.430 1.7919 -2.490417      3.514547 
1 1 1 17 16 19 o 121.332 1.8523 149.307  2.9913  117.262 3.1017 125.403 2.0257 -8.140938      3.704588 
1 1 1 17 16 21 o 102.273 1.9129 105.809  2.5725  99.922  3.2355 104.624 2.0417 -4.701324      3.825849 
1 1 1 17 16 23 o 143.882 1.8465 207.208  3.4748  144.161 3.1237 143.603 1.9699 0.5579681      3.692967 
1 1 1 17 16 25 o 112.022 1.8061 126.080  2.6926  111.208 3.0110 112.836 1.9954 -1.628471      3.612178 
1 1 1 17 16 27 o 37.359  4.4383 15.171   1.7531  34.456  8.2971 40.262  3.1546 -5.806648      8.876594 
1 1 1 17 16 29 o 78.246  3.2899 61.361   3.5629  74.994  4.1571 81.499  5.1003 -6.505661      6.579858 
1 1 1 17 16 31 o 25.680  6.6289 5.7775   3.1144  23.260  8.8244 28.099  9.8943 -4.838499      13.25772 
1 1 1 17 16 33 o 24.823  6.8364 4.6640   3.4072  24.698  8.9983 24.948  10.294 -0.2502174     13.67276 
1 1 1 17 16 35 o 45.420  5.6097 22.513   3.4876  44.200  7.1839 46.639  8.6177 -2.439289      11.21930 
1 1 1 17 16 37 o 38.404  6.3327 17.685   3.3905  34.552  9.9723 42.256  7.8081 -7.703762      12.66541 
1 1 1 17 16 39 o 15.323  5.2988 -8.2660  3.4496  14.000  6.7193 16.646  8.1950 -2.646680      10.59750 
1 1 1 17 16 41 o 32.151  7.3379 15.433   3.7838  33.168  9.3475 31.134  11.314 2.034040       14.67579 
1 1 1 17 17 0  o 301.260 3.5656 908.591  21.476  301.260 3.5656 ?       ?      0.000000       0.000000 
1 1 1 17 17 2  o 111.309 1.6853 123.246  2.6356  106.180 2.2836 116.438 2.4791 -10.25719      3.370596 
1 1 1 17 17 4  o 122.387 1.5193 149.803  2.6189  122.903 2.2548 121.872 2.0370 1.030296       3.038605 
1 1 1 17 17 6  f 251.878 1.9409 635.142  6.8718  251.588 2.9143 252.169 2.5642 -0.5812531     3.881756 
1 1 1 17 17 8  o 142.495 1.6829 203.782  3.3712  146.187 2.2116 138.804 2.5372 7.382614       3.365733 
1 1 1 17 17 10 o 92.990  1.5803 86.478   2.0768  91.781  2.2016 94.199  2.2676 -2.418015      3.160570 
1 1 1 17 17 12 o 46.056  3.0115 21.155   1.9476  44.250  4.0446 47.862  4.4630 -3.612785      6.023011 
1 1 1 17 17 14 o 161.145 1.7226 259.609  3.9182  163.664 2.5045 158.625 2.3657 5.038956       3.445166 
1 1 1 17 17 16 o 245.979 1.9172 605.647  6.6620  244.674 2.6427 247.283 2.7782 -2.609726      3.834392 
1 1 1 17 17 18 f 255.285 2.0370 656.677  7.2083  248.179 3.2102 262.390 2.5083 -14.21066      4.073925 
1 1 1 17 17 20 o 60.167  2.6720 36.986   2.0260  58.101  4.6701 62.233  2.5975 -4.131248      5.343900 
1 1 1 17 17 22 o 56.232  3.6790 32.169   2.1537  55.458  6.8707 57.005  2.6332 -1.547215      7.357963 
1 1 1 17 17 24 o 103.161 2.2115 106.480  2.7949  103.492 3.9049 102.830 2.0773 0.6622086      4.423071 
1 1 1 17 17 26 o 32.768  4.4551 11.479   1.8095  30.353  7.9096 35.184  4.1022 -4.830906      8.910117 
1 1 1 17 17 28 o 59.059  3.4779 34.805   2.1628  59.869  6.4609 58.250  2.5769 1.619263       6.955816 
1 1 1 17 17 30 o 90.896  3.0424 83.872   3.8129  92.290  3.6907 89.502  4.8378 2.788010       6.084866 
1 1 1 17 17 32 o 48.210  4.5641 24.053   3.0431  48.237  5.6251 48.183  7.1891 0.5402756E-01  9.128271 
1 1 1 17 17 34 o 81.253  3.4505 67.683   3.6475  80.700  3.6485 81.805  5.8575 -1.105225      6.900906 
1 1 1 17 17 36 o 54.293  5.1107 32.571   3.8025  57.590  6.0148 50.996  8.2643 6.593857       10.22138 
1 1 1 17 17 38 o 23.141  6.7727 3.8733   3.7788  18.062  8.3067 28.220  10.699 -10.15839      13.54545 
1 1 1 17 17 40 o 21.305  6.6539 2.7526   3.9073  18.035  8.3261 24.576  10.381 -6.541267      13.30781 
1 1 1 17 17 42 o 18.659  6.1191 0.0139   3.8025  17.553  8.1623 19.765  9.1186 -2.212250      12.23811 
1 1 1 17 18 1  o 147.545 1.7792 217.604  3.6507  148.393 2.7623 146.697 2.2432 1.695328       3.558391 
1 1 1 17 18 3  o 313.143 2.3622 979.540  10.378  307.944 3.1121 318.342 3.5545 -10.39810      4.724394 
1 1 1 17 18 5  o 355.093 2.3395 1262.51  11.747  353.335 3.2842 356.851 3.3327 -3.516144      4.678990 
1 1 1 17 18 7  o 189.819 1.6881 360.339  4.5274  192.415 2.4303 187.223 2.3435 5.191711       3.376193 
1 1 1 17 18 9  o 87.548  1.7979 76.773   2.2193  88.244  2.4207 86.852  2.6589 1.391479       3.595732 
1 1 1 17 18 11 o 126.009 1.7390 159.107  3.0755  127.048 2.2721 124.971 2.6332 2.076439       3.477936 
1 1 1 17 18 13 o 95.453  1.7094 90.804   2.2963  91.770  2.3277 99.135  2.5041 -7.365616      3.418884 
1 1 1 17 18 15 o 62.148  2.2371 38.738   1.9629  60.058  3.2683 64.238  3.0557 -4.180271      4.474275 
1 1 1 17 18 17 o 52.344  2.5739 27.481   1.9052  51.903  3.6706 52.785  3.6093 -0.8823433     5.147866 
1 1 1 17 18 19 o 71.303  2.5704 49.341   2.1925  74.783  4.5548 67.824  2.3834 6.958305       5.140702 
1 1 1 17 18 21 o 126.062 1.7659 158.533  3.0309  127.674 2.8488 124.450 2.0875 3.224571       3.531752 
1 1 1 17 18 23 f 78.044  2.8620 64.619   2.5775  71.759  5.2294 84.329  2.3277 -12.57027      5.724081 
1 1 1 17 18 25 o 82.491  2.4439 68.364   2.5208  82.479  4.2698 82.502  2.3792 -0.2310181E-01 4.887896 
1 1 1 17 18 27 o 34.946  4.6421 11.431   1.9185  41.907  7.7294 27.986  5.1433 13.92052       9.284255 
1 1 1 17 18 29 o 30.840  7.0875 9.7485   3.4309  30.867  8.6397 30.814  11.238 0.5281258E-01  14.17490 
1 1 1 17 18 31 o 43.322  5.8168 20.329   3.4232  41.366  8.1046 45.278  8.3460 -3.912445      11.63358 
1 1 1 17 18 33 o 25.185  6.8955 5.4707   3.4067  22.783  8.9133 27.588  10.523 -4.805712      13.79094 
1 1 1 17 18 35 o 43.412  6.3877 21.518   3.6844  39.046  8.2405 47.778  9.7625 -8.731998      12.77544 
1 1 1 17 18 37 o 21.352  6.2003 0.5413   3.5896  26.778  9.6977 15.926  7.7285 10.85143       12.40064 
1 1 1 17 18 39 o 19.346  6.1177 0.9010   3.4980  20.390  8.7721 18.301  8.5297 2.089211       12.23541 
1 1 1 17 18 41 o 24.472  6.3336 6.8355   3.7411  31.166  9.3023 17.779  8.5978 13.38712       12.66712 
1 1 1 17 19 0  o 25.504  8.6228 8.4289   3.9258  25.504  8.6228 ?       ?      0.000000       0.000000 
1 1 1 17 19 2  o 65.976  2.2730 43.481   2.0973  73.539  3.0617 58.414  3.3603 15.12494       4.546008 
1 1 1 17 19 4  o 104.305 1.8028 109.436  2.5884  106.282 2.1728 102.328 2.8774 3.953964       3.605577 
1 1 1 17 19 6  o 112.565 1.5709 127.489  2.4771  117.133 2.0208 107.996 2.4056 9.136993       3.141732 
1 1 1 17 19 8  o 157.696 1.5934 248.987  3.5484  156.356 2.3262 159.035 2.1781 -2.678314      3.186730 
1 1 1 17 19 10 o 117.624 1.7349 138.276  2.8820  121.228 2.4764 114.021 2.4304 7.206177       3.469771 
1 1 1 17 19 12 o 47.519  3.0911 22.596   2.0719  45.766  4.2890 49.271  4.4525 -3.505184      6.182274 
1 1 1 17 19 14 o 51.976  2.8602 27.298   2.0639  53.877  3.5361 50.074  4.4964 3.803085       5.720331 
1 1 1 17 19 16 o 41.971  3.2098 17.691   1.9034  40.671  4.5424 43.272  4.5362 -2.600365      6.419531 
1 1 1 17 19 18 o 169.950 1.6565 288.455  3.9701  175.964 2.3951 163.936 2.2891 12.02872       3.313032 
1 1 1 17 19 20 f 133.915 1.9690 179.523  3.3568  134.124 3.4005 133.706 1.9862 0.4175110      3.938055 
1 1 1 17 19 22 o 86.985  2.5969 76.414   2.7316  86.169  4.6229 87.801  2.3671 -1.632065      5.193703 
1 1 1 17 19 24 o 82.080  2.8116 68.910   2.6546  80.137  5.1150 84.023  2.3361 -3.886642      5.623237 
1 1 1 17 19 26 f 121.063 2.3067 146.059  3.4604  122.892 4.0401 119.234 2.2273 3.657845       4.613373 
1 1 1 17 19 28 o 69.645  3.2026 49.754   2.4248  68.226  5.9234 71.064  2.4372 -2.838409      6.405187 
1 1 1 17 19 30 f 61.727  3.9699 39.102   3.4553  61.156  5.3809 62.298  5.8383 -1.141758      7.939798 
1 1 1 17 19 32 o 47.648  6.0102 24.111   3.8377  40.003  8.2197 55.292  8.7707 -15.28908      12.02033 
1 1 1 17 19 34 o 30.429  7.1155 9.7725   3.6844  21.955  8.9629 38.904  11.054 -16.94810      14.23099 
1 1 1 17 19 36 o 36.628  6.8117 17.703   3.7091  42.146  8.2388 31.111  10.850 11.03526       13.62343 
1 1 1 17 19 38 o 19.799  6.4553 -1.2024  4.1408  16.383  7.8725 23.215  10.233 -6.832800      12.91059 
1 1 1 17 19 40 o 18.594  6.0826 -0.3169  3.9209  19.616  8.6430 17.572  8.5609 2.044796       12.16514 
1 1 1 17 20 1  o 118.020 1.6087 139.203  2.6768  116.288 2.1844 119.751 2.3623 -3.463409      3.217478 
1 1 1 17 20 3  o 75.322  2.0684 56.883   2.1923  80.723  2.7892 69.921  3.0550 10.80229       4.136801 
1 1 1 17 20 5  o 71.800  2.2795 51.331   2.2732  69.924  2.8897 73.675  3.5262 -3.750648      4.559039 
1 1 1 17 20 7  o 117.754 1.6647 138.810  2.7699  117.311 2.4114 118.198 2.2957 -0.8869705     3.329439 
1 1 1 17 20 9  o 79.101  1.8307 63.205   2.0058  82.430  2.2412 75.772  2.8953 6.657738       3.661395 
1 1 1 17 20 11 o 34.687  3.9242 12.264   1.8723  31.631  5.8779 37.743  5.2007 -6.111193      7.848382 
1 1 1 17 20 13 o 41.644  3.3975 17.671   1.9476  44.089  4.0593 39.199  5.4494 4.890324       6.795095 
1 1 1 17 20 15 o 39.466  4.0344 16.345   2.1068  45.718  4.5461 33.214  6.6662 12.50437       8.068775 
1 1 1 17 20 17 o 64.233  2.5142 41.825   2.2382  67.441  3.0817 61.025  3.9734 6.416622       5.028418 
1 1 1 17 20 19 f 129.967 1.8212 168.792  3.3395  124.271 2.5551 135.662 2.5959 -11.39059      3.642444 
1 1 1 17 20 21 o 151.269 1.9926 230.984  4.1757  146.855 3.1450 155.683 2.4475 -8.827774      3.985131 
1 1 1 17 20 23 o 16.751  5.4176 -2.1819  2.3926  19.408  8.8636 14.094  6.2320 5.314345       10.83518 
1 1 1 17 20 25 o 113.704 2.2090 131.627  3.1087  111.189 3.8942 116.218 2.0864 -5.029869      4.417903 
1 1 1 17 20 27 o 65.056  3.7100 46.972   2.4808  57.770  6.9955 72.342  2.4739 -14.57199      7.420023 
1 1 1 17 20 29 o 21.518  6.5237 0.7747   3.3969  20.401  8.4096 22.635  9.9757 -2.234043      13.04745 
1 1 1 17 20 31 f 75.862  3.6269 59.941   3.8025  78.547  4.4100 73.177  5.7592 5.369957       7.253756 
1 1 1 17 20 33 o 69.480  4.4804 50.703   3.8457  68.457  4.3010 70.503  7.8610 -2.045883      8.960718 
1 1 1 17 20 35 o 23.479  6.6283 4.3963   3.3860  17.874  7.9969 29.084  10.573 -11.21077      13.25669 
1 1 1 17 20 37 o 19.470  6.2517 -0.8196  3.7885  15.977  7.6653 22.964  9.8782 -6.986250      12.50340 
1 1 1 17 20 39 o 20.872  6.4696 4.6452   3.6638  21.037  8.8564 20.708  9.4333 0.3297081      12.93919 
1 1 1 17 21 0  o 84.533  2.6007 71.704   4.3877  84.533  2.6007 ?       ?      0.000000       0.000000 
1 1 1 17 21 2  o 173.190 1.6383 300.056  4.0072  174.868 2.3771 171.513 2.2553 3.354828       3.276682 
1 1 1 17 21 4  o 95.459  1.7527 91.028   2.3614  98.719  2.5147 92.198  2.4421 6.521240       3.505356 
1 1 1 17 21 6  o 81.979  2.0463 67.378   2.3614  81.198  3.0573 82.760  2.7206 -1.561691      4.092537 
1 1 1 17 21 8  f 17.801  4.6108 1.8778   1.6408  13.706  5.9944 21.895  7.0074 -8.189021      9.221527 
1 1 1 17 21 10 o 71.225  2.1792 50.817   2.1923  73.977  3.0436 68.474  3.1196 5.503403       4.358358 
1 1 1 17 21 12 o 34.867  4.5947 13.172   2.1221  41.358  4.7461 28.377  7.8688 12.98106       9.189306 
1 1 1 17 21 14 o 127.645 1.6950 163.173  3.0587  126.903 2.3657 128.387 2.4282 -1.484550      3.390075 
1 1 1 17 21 16 o 166.163 1.8433 276.068  4.3107  163.283 2.4750 169.044 2.7322 -5.760330      3.686526 
1 1 1 17 21 18 o 73.425  2.3332 53.620   2.4028  67.160  3.2666 79.691  3.3325 -12.53051      4.666468 
1 1 1 17 21 20 f 82.510  2.1845 68.303   2.5192  82.190  2.8097 82.829  3.3456 -0.6394196     4.368938 
1 1 1 17 21 22 o 84.832  2.6525 74.194   2.9716  79.696  4.4913 89.968  2.8235 -10.27226      5.305095 
1 1 1 17 21 24 o 70.925  2.4418 51.632   2.2980  67.418  4.1104 74.432  2.6372 -7.014053      4.883631 
1 1 1 17 21 26 o 76.676  2.6261 60.033   2.4235  75.049  4.6925 78.303  2.3593 -3.254288      5.252246 
1 1 1 17 21 28 o 18.353  5.0445 1.9112   1.8819  22.342  7.9659 14.364  6.1914 7.978098       10.08910 
1 1 1 17 21 30 o 40.680  6.3180 19.081   3.4667  44.936  6.5523 36.424  10.804 8.512058       12.63595 
1 1 1 17 21 32 o 43.825  6.3213 22.430   3.7543  46.815  7.1526 40.835  10.425 5.979622       12.64264 
1 1 1 17 21 34 o 25.900  6.9965 7.8292   3.5785  24.521  9.7033 27.280  10.082 -2.758661      13.99292 
1 1 1 17 21 36 o 18.646  6.1510 -2.0949  3.9019  17.744  8.1335 19.547  9.2296 -1.802885      12.30205 
1 1 1 17 21 38 o 22.054  6.5958 5.4978   3.8301  24.125  9.2310 19.984  9.4237 4.141031       13.19155 
1 1 1 17 22 1  o 239.851 2.1449 576.454  7.2738  238.403 3.0755 241.299 2.9907 -2.895615      4.289843 
1 1 1 17 22 3  o 30.018  5.2813 9.5675   2.2713  26.267  8.2791 33.770  6.5595 -7.503330      10.56265 
1 1 1 17 22 5  o 189.083 2.0088 357.518  5.2577  187.616 2.4925 190.551 3.1510 -2.934464      4.017586 
1 1 1 17 22 7  o 195.789 1.9771 384.307  5.3384  196.265 2.4121 195.313 3.1332 0.9521790      3.954141 
1 1 1 17 22 9  o 62.770  2.6012 39.522   2.3078  63.546  3.7249 61.993  3.6319 1.552402       5.202483 
1 1 1 17 22 11 o 50.583  3.2338 25.772   2.3078  51.503  4.3717 49.662  4.7663 1.841389       6.467538 
1 1 1 17 22 13 o 81.617  2.0754 66.711   2.3928  83.060  2.9888 80.174  2.8803 2.885841       4.150812 
1 1 1 17 22 15 f 63.651  2.5003 40.574   2.2456  61.713  3.4614 65.589  3.6089 -3.876122      5.000514 
1 1 1 17 22 17 o 96.506  2.0726 93.285   2.8242  92.720  2.9265 100.292 2.9358 -7.571564      4.145230 
1 1 1 17 22 19 o 85.635  2.2056 73.654   2.6243  85.609  2.7649 85.661  3.4372 -0.5139923E-01 4.411252 
1 1 1 17 22 21 o 24.941  5.6557 6.2351   2.3093  22.294  8.0555 27.588  7.9408 -5.293989      11.31142 
1 1 1 17 22 23 f 58.478  4.2862 34.303   3.2635  60.794  7.2173 56.162  4.6258 4.631432       8.572481 
1 1 1 17 22 25 o 27.907  5.1727 8.2926   2.2221  21.089  9.3209 34.726  4.4888 -13.63677      10.34545 
1 1 1 17 22 27 o 24.652  5.6245 6.0120   2.1151  23.304  9.5737 26.000  5.9062 -2.696283      11.24894 
1 1 1 17 22 29 o 51.029  5.5432 28.539   3.6437  52.544  5.8233 49.514  9.4338 3.029972       11.08637 
1 1 1 17 22 31 o 18.883  5.6975 -0.1709  2.8820  21.885  8.6242 15.880  7.4478 6.005448       11.39504 
1 1 1 17 22 33 o 18.767  6.1747 -2.5873  3.7633  16.405  7.6880 21.129  9.6645 -4.723961      12.34946 
1 1 1 17 22 35 o 27.805  7.0577 10.684   3.7442  31.388  9.7966 24.223  10.162 7.165159       14.11531 
1 1 1 17 22 37 f 46.991  6.4144 31.045   4.0824  49.710  7.4329 44.273  10.456 5.437210       12.82870 
1 1 1 17 23 0  o 70.482  3.4580 50.112   4.8495  70.482  3.4580 ?       ?      0.000000       0.000000 
1 1 1 17 23 2  o 82.447  2.2589 68.292   2.6265  79.574  3.3374 85.321  3.0449 -5.746773      4.517720 
1 1 1 17 23 4  f 160.341 1.9032 256.757  4.2451  157.910 2.4130 162.772 2.9439 -4.861420      3.806416 
1 1 1 17 23 6  o 306.018 2.6614 936.400  11.169  301.826 3.2135 310.210 4.2432 -8.384430      5.322724 
1 1 1 17 23 8  o 292.623 2.7662 860.395  11.407  293.807 3.7138 291.440 4.1005 2.366913       5.532335 
1 1 1 17 23 10 o 135.798 1.8951 184.864  3.6362  137.268 2.6076 134.326 2.7507 2.942078       3.790209 
1 1 1 17 23 12 o 85.337  2.1716 73.205   2.5659  86.276  2.6766 84.398  3.4203 1.877861       4.343108 
1 1 1 17 23 14 o 151.495 1.9155 230.180  4.0917  151.970 2.5833 151.021 2.8289 0.9485931      3.830906 
1 1 1 17 23 16 o 110.375 1.9054 122.240  2.9729  109.404 2.7440 111.346 2.6443 -1.942047      3.810786 
1 1 1 17 23 18 o 94.989  1.9731 89.609   2.6243  87.525  2.7044 102.453 2.8739 -14.92770      3.946245 
1 1 1 17 23 20 o 118.022 1.9026 139.838  3.1711  116.818 2.6193 119.225 2.7601 -2.406609      3.805113 
1 1 1 17 23 22 o 94.831  2.2815 90.500   3.0587  95.489  3.2648 94.174  3.1878 1.315872       4.563019 
1 1 1 17 23 24 o 23.072  6.5395 3.3352   3.0470  24.889  10.238 21.255  8.1386 3.634748       13.07905 
1 1 1 17 23 26 o 19.061  5.9101 -0.4619  2.4248  25.450  10.274 12.671  5.8457 12.77944       11.82029 
1 1 1 17 23 28 o 33.908  5.4971 12.881   2.2695  31.412  9.9860 36.405  4.5990 -4.992405      10.99412 
1 1 1 17 23 30 o 64.745  4.3753 41.595   3.6050  55.520  4.8873 73.970  7.2585 -18.44966      8.750519 
1 1 1 17 23 32 o 26.557  6.7222 7.6857   3.7838  32.217  9.4356 20.897  9.5772 11.32064       13.44445 
1 1 1 17 23 34 o 17.920  5.7598 -0.3963  3.2039  18.382  8.2622 17.458  8.0272 0.9247932      11.51955 
1 1 1 17 23 36 o 29.654  7.4650 15.219   3.9376  29.868  10.247 29.440  10.858 0.4280415      14.93008 
1 1 1 17 24 1  o 68.534  2.5325 47.141   2.4533  70.174  3.5376 66.894  3.6248 3.279434       5.064953 
1 1 1 17 24 3  o 16.963  5.1827 -0.5116  2.2801  17.417  7.4008 16.508  7.2574 0.9093895      10.36543 
1 1 1 17 24 5  o 66.926  2.6549 44.986   2.5110  67.749  3.6643 66.104  3.8428 1.645035       5.309795 
1 1 1 17 24 7  o 83.494  2.2304 69.980   2.6189  84.233  2.9472 82.755  3.3486 1.477676       4.460819 
1 1 1 17 24 9  o 48.577  4.6274 23.630   3.1375  54.330  6.4820 42.824  6.6058 11.50525       9.254889 
1 1 1 17 24 11 o 94.698  2.0961 90.089   2.7997  90.129  3.0746 99.268  2.8498 -9.138321      4.192194 
1 1 1 17 24 13 o 139.639 1.8573 195.637  3.6658  137.816 2.6810 141.461 2.5711 -3.644730      3.714625 
1 1 1 17 24 15 o 42.799  3.4551 18.436   2.0639  37.445  5.0879 48.153  4.6759 -10.70757      6.910181 
1 1 1 17 24 17 o 15.455  4.8199 -1.2938  2.0879  15.945  6.7925 14.965  6.8403 0.9806662      9.639893 
1 1 1 17 24 19 o 19.080  5.5060 1.6065   2.2950  17.095  7.1233 21.065  8.3977 -3.970276      11.01194 
1 1 1 17 24 21 o 21.775  5.4947 4.1282   2.1923  23.469  7.4548 20.080  8.0743 3.388453       10.98941 
1 1 1 17 24 23 f 53.905  3.4178 30.119   2.5074  57.182  3.9375 50.627  5.5876 6.555035       6.835620 
1 1 1 17 24 25 o 21.547  6.0734 1.9346   2.4884  28.879  10.356 14.216  6.3480 14.66338       12.14687 
1 1 1 17 24 27 o 34.140  5.9046 12.661   2.4698  34.126  10.583 34.153  5.2403 -0.2622604E-01 11.80925 
1 1 1 17 24 29 o 55.699  3.1366 31.895   2.3772  57.240  5.0430 54.158  3.7310 3.082516       6.273102 
1 1 1 17 24 31 o 57.421  5.5350 39.756   4.1757  63.223  6.0268 51.618  9.2857 11.60494       11.07010 
1 1 1 17 24 33 f 22.577  6.8615 5.1074   3.8617  21.616  9.0970 23.538  10.274 -1.922083      13.72291 
1 1 1 17 24 35 o 24.513  7.3300 9.2465   4.0064  20.167  8.6849 28.858  11.811 -8.690851      14.66004 
1 1 1 17 25 0  o 209.014 2.7356 437.611  11.431  209.014 2.7356 ?       ?      0.000000       0.000000 
1 1 1 17 25 2  o 149.043 1.8228 222.629  3.8338  149.171 2.4769 148.914 2.6750 0.2565155      3.645695 
1 1 1 17 25 4  o 68.067  2.8210 46.520   2.7024  67.284  3.7753 68.849  4.1927 -1.564209      5.641983 
1 1 1 17 25 6  o 102.666 2.0977 106.095  3.0241  105.465 2.7370 99.867  3.1795 5.598686       4.195305 
1 1 1 17 25 8  o 71.431  2.5713 51.197   2.5928  68.539  3.6220 74.324  3.6508 -5.785210      5.142692 
1 1 1 17 25 10 o 97.537  2.1864 95.685   2.9843  98.486  2.8137 96.588  3.3472 1.898132       4.372763 
1 1 1 17 25 12 o 88.995  2.5719 79.799   3.1456  89.365  3.1009 88.624  4.1040 0.7408829      5.143792 
1 1 1 17 25 14 o 74.248  2.3914 55.850   2.4610  76.548  2.9414 71.949  3.7713 4.598656       4.782733 
1 1 1 17 25 16 o 96.198  2.1854 93.109   2.9729  96.882  3.0987 95.513  3.0827 1.368675       4.370898 
1 1 1 17 25 18 o 131.769 1.9567 174.548  3.6225  132.291 2.5748 131.247 2.9472 1.043869       3.913471 
1 1 1 17 25 20 o 45.344  3.5933 20.719   2.2732  42.339  4.7725 48.350  5.3733 -6.010212      7.186694 
1 1 1 17 25 22 o 15.502  4.9984 -2.2708  2.2095  12.254  5.7479 18.749  8.1791 -6.494984      9.996795 
1 1 1 17 25 24 o 46.276  3.5213 21.859   2.2732  43.287  4.6680 49.265  5.2734 -5.978176      7.042606 
1 1 1 17 25 26 o 48.013  4.8590 25.723   2.5529  44.625  8.9835 51.402  3.7064 -6.776981      9.718067 
1 1 1 17 25 28 o 67.295  2.8544 45.780   2.5204  70.227  4.7681 64.362  3.1395 5.865143       5.708834 
1 1 1 17 25 30 o 55.262  5.3446 36.144   4.0697  58.568  6.4072 51.956  8.5560 6.612160       10.68915 
1 1 1 17 25 32 o 21.048  6.6713 2.6199   4.0006  20.098  8.8597 21.998  9.9766 -1.900146      13.34264 
1 1 1 17 25 34 o 21.196  6.7613 4.4083   4.2194  20.693  9.0667 21.698  10.033 -1.005390      13.52257 
1 1 1 17 26 1  o 60.749  3.0562 37.114   2.6189  62.575  4.4285 58.923  4.2131 3.652332       6.112438 
1 1 1 17 26 3  o 61.315  3.0995 37.947   2.6842  62.592  4.2429 60.038  4.5195 2.553394       6.198987 
1 1 1 17 26 5  o 36.852  5.2745 14.313   2.6356  35.104  7.1554 38.600  7.7511 -3.496494      10.54895 
1 1 1 17 26 7  o 113.886 1.9358 130.186  3.1175  113.100 2.7564 114.672 2.7187 -1.571472      3.871583 
1 1 1 17 26 9  o 146.059 1.8886 214.310  3.8950  147.969 2.5751 144.149 2.7635 3.819473       3.777293 
1 1 1 17 26 11 o 73.212  2.5944 54.052   2.6842  74.164  3.5808 72.259  3.7551 1.905151       5.188747 
1 1 1 17 26 13 o 146.745 2.1700 216.752  4.4204  147.099 2.7081 146.392 3.3916 0.7072754      4.340081 
1 1 1 17 26 15 o 156.359 1.8799 245.481  4.1535  157.632 2.7102 155.087 2.6058 2.545761       3.759728 
1 1 1 17 26 17 o 115.143 1.9199 133.572  3.1165  118.739 2.5769 111.546 2.8466 7.192863       3.839744 
1 1 1 17 26 19 o 137.757 1.9113 190.938  3.7217  136.249 2.6695 139.266 2.7360 -3.017395      3.822554 
1 1 1 17 26 21 o 40.305  4.5018 16.798   2.5428  38.327  6.0252 42.282  6.6905 -3.954739      9.003617 
1 1 1 17 26 23 o 58.872  3.0901 34.863   2.4754  55.528  3.7429 62.217  4.9180 -6.688709      6.180298 
1 1 1 17 26 25 o 63.576  2.9423 41.521   2.4940  63.322  3.2822 63.829  4.8842 -0.5069046     5.884590 
1 1 1 17 26 27 o 46.918  3.9045 22.931   2.4940  50.806  6.1361 43.030  4.8301 7.776375       7.809081 
1 1 1 17 26 29 f 23.466  4.9649 5.5038   2.3093  16.873  7.9316 30.059  5.9742 -13.18609      9.929828 
1 1 1 17 26 31 o 21.018  6.4941 0.7780   4.1137  24.537  9.8118 17.499  8.5100 7.038301       12.98815 
1 1 1 17 26 33 o 21.549  6.3593 5.2506   3.2816  18.707  8.3052 24.391  9.6324 -5.683794      12.71853 
1 1 1 17 27 0  o 124.191 2.8856 154.838  7.1588  124.191 2.8856 ?       ?      0.000000       0.000000 
1 1 1 17 27 2  o 91.981  2.2010 85.141   2.8575  95.868  3.0110 88.095  3.2112 7.772873       4.402049 
1 1 1 17 27 4  o 67.362  2.9109 45.839   2.7712  68.819  4.0267 65.905  4.2048 2.913956       5.821895 
1 1 1 17 27 6  o 41.812  4.6562 18.137   2.6768  37.933  6.9561 45.691  6.1913 -7.757763      9.312318 
1 1 1 17 27 8  o 72.541  3.0097 53.133   3.0819  70.312  4.1875 74.770  4.3240 -4.457291      6.019308 
1 1 1 17 27 10 o 44.961  3.8440 20.723   2.4234  47.550  4.9780 42.372  5.8587 5.177109       7.688010 
1 1 1 17 27 12 o 24.989  5.8309 6.2475   2.4124  23.870  8.5522 26.108  7.9284 -2.237812      11.66185 
1 1 1 17 27 14 o 29.073  6.2004 8.9211   2.8575  25.137  9.0139 33.008  8.5163 -7.870640      12.40071 
1 1 1 17 27 16 o 77.927  2.7876 61.192   3.0064  76.355  3.4781 79.499  4.3572 -3.144226      5.575136 
1 1 1 17 27 18 o 97.298  2.3308 95.502   3.1831  95.637  3.0787 98.959  3.5004 -3.321846      4.661620 
1 1 1 17 27 20 o 97.035  2.4587 95.074   3.3475  92.691  3.3011 101.378 3.6446 -8.686714      4.917377 
1 1 1 17 27 22 o 79.596  2.6419 64.346   2.9393  76.918  3.4526 82.274  3.9997 -5.356834      5.283790 
1 1 1 17 27 24 o 21.204  5.8977 3.5033   2.5884  17.879  7.5410 24.529  9.0700 -6.649542      11.79537 
1 1 1 17 27 26 o 22.487  5.6829 5.0866   2.5365  25.760  7.4323 19.215  8.5989 6.545309       11.36573 
1 1 1 17 27 28 o 23.302  6.2051 6.1148   2.5679  27.106  9.9327 19.497  7.4400 7.608727       12.41017 
1 1 1 17 27 30 o 15.948  5.1179 -0.0322  2.1804  17.952  8.2187 13.943  6.1013 4.009078       10.23586 
1 1 1 17 28 1  o 76.896  2.8926 59.689   3.1398  75.208  3.9917 78.584  4.1876 -3.375938      5.785266 
1 1 1 17 28 3  o 47.140  3.6821 22.617   2.4533  48.355  5.1339 45.925  5.2798 2.429707       7.364296 
1 1 1 17 28 5  o 81.226  2.6367 66.315   3.0175  84.553  3.8236 77.898  3.6315 6.655174       5.273342 
1 1 1 17 28 7  o 17.197  5.4297 -2.1521  2.7085  15.544  7.1668 18.851  8.1586 -3.306444      10.85936 
1 1 1 17 28 9  o 31.682  5.7337 10.822   2.5928  34.583  7.9991 28.780  8.2168 5.802874       11.46742 
1 1 1 17 28 11 o 40.986  5.0270 17.645   2.8505  43.112  6.9635 38.861  7.2521 4.250778       10.05402 
1 1 1 17 28 13 o 89.597  2.4496 81.206   3.0668  90.286  3.1332 88.907  3.7663 1.379692       4.899179 
1 1 1 17 28 15 o 87.491  2.5252 77.400   3.0908  86.412  3.2737 88.570  3.8458 -2.158524      5.050470 
1 1 1 17 28 17 o 42.530  5.1493 19.058   2.9716  37.981  6.9466 47.079  7.6030 -9.098022      10.29863 
1 1 1 17 28 19 f 15.789  5.0949 -2.2898  2.3975  14.990  6.5910 16.589  7.7711 -1.598663      10.18974 
1 1 1 17 28 21 o 30.698  5.9780 10.750   2.7759  24.252  8.4795 37.145  8.4289 -12.89297      11.95609 
1 1 1 17 28 23 o 34.744  5.8814 14.199   2.7735  34.598  7.0858 34.890  9.3892 -0.2927780     11.76290 
1 1 1 17 28 25 o 29.947  5.6260 10.897   2.4125  25.707  7.7056 34.186  8.1994 -8.478062      11.25195 
1 1 1 17 28 27 o 22.186  5.2017 5.4953   2.2095  26.587  6.7237 17.785  7.9387 8.801353       10.40337 
1 1 1 17 28 29 o 32.641  5.6881 13.862   2.5351  36.703  8.6296 28.580  7.4129 8.123198       11.37630 
1 1 1 17 29 0  o 78.307  3.9284 62.120   6.1196  78.307  3.9284 ?       ?      0.000000       0.000000 
1 1 1 17 29 2  o 90.927  2.3480 83.654   3.0021  96.546  3.1095 85.308  3.5191 11.23826       4.696056 
1 1 1 17 29 4  f 62.298  3.3767 39.461   2.9662  61.888  4.5710 62.709  4.9714 -0.8215332     6.753466 
1 1 1 17 29 6  o 79.496  2.7778 64.019   3.1133  80.403  3.7338 78.589  4.1138 1.814018       5.555627 
1 1 1 17 29 8  o 118.432 2.0682 141.245  3.4630  119.076 2.9575 117.788 2.8918 1.287880       4.136352 
1 1 1 17 29 10 o 102.698 2.2127 106.730  3.1976  104.432 2.9300 100.965 3.3165 3.467033       4.425354 
1 1 1 17 29 12 o 88.922  2.4860 80.155   3.1079  88.048  3.7374 89.795  3.2789 -1.747208      4.971911 
1 1 1 17 29 14 o 48.836  3.9176 24.899   2.6842  44.955  5.9074 52.716  5.1472 -7.760910      7.835223 
1 1 1 17 29 16 o 52.074  3.5349 27.904   2.5659  50.939  4.5334 53.209  5.4251 -2.269650      7.069871 
1 1 1 17 29 18 o 59.631  3.7609 37.599   3.1165  52.519  5.8261 66.743  4.7575 -14.22369      7.521777 
1 1 1 17 29 20 o 66.212  3.0135 44.841   2.7865  60.713  4.0889 71.712  4.4278 -10.99958      6.026992 
1 1 1 17 29 22 o 26.965  6.1053 9.1033   2.6692  28.749  7.9647 25.180  9.2554 3.569407       12.21060 
1 1 1 17 29 24 o 16.478  5.2153 -0.5384  2.5143  16.757  7.2177 16.200  7.5300 0.5571976      10.43055 
1 1 1 17 29 26 o 21.738  6.1175 4.3060   2.6125  15.399  6.7791 28.077  10.185 -12.67809      12.23493 
1 1 1 17 29 28 o 29.486  6.0139 11.600   2.4436  25.839  7.1403 33.132  9.6791 -7.292767      12.02784 
1 1 1 17 30 1  o 37.176  5.4497 15.093   2.8277  43.299  6.6667 31.053  8.6228 12.24621       10.89944 
1 1 1 17 30 3  o 40.372  5.0158 17.711   2.7420  45.987  5.9005 34.758  8.1127 11.22899       10.03154 
1 1 1 17 30 5  o 32.911  5.7838 11.986   2.6594  32.752  7.5524 33.069  8.7618 -0.3162079     11.56756 
1 1 1 17 30 7  o 46.057  4.3421 21.997   2.8242  47.488  6.2002 44.625  6.0805 2.863125       8.684131 
1 1 1 17 30 9  o 53.989  3.9390 30.276   3.0010  52.774  5.7980 55.204  5.3336 -2.430073      7.878029 
1 1 1 17 30 11 o 72.578  2.9254 53.718   2.9843  70.877  3.9098 74.279  4.3525 -3.402481      5.850744 
1 1 1 17 30 13 o 62.954  3.5482 40.803   3.0868  61.524  4.4104 64.385  5.5593 -2.861668      7.096313 
1 1 1 17 30 15 o 26.588  6.1478 7.8877   2.7603  29.592  8.3921 23.584  8.9864 6.008087       12.29562 
1 1 1 17 30 17 o 25.937  6.0627 3.2443   3.7244  16.659  8.1414 35.216  8.9857 -18.55699      12.12542 
1 1 1 17 30 19 o 26.001  6.2121 8.0613   2.8183  29.030  8.5676 22.972  8.9977 6.057341       12.42426 
1 1 1 17 30 21 o 29.335  6.3159 10.952   2.7921  27.181  8.2224 31.490  9.5894 -4.309008      12.63184 
1 1 1 17 30 23 o 25.878  6.2277 8.8619   2.7931  27.897  8.0426 23.859  9.5108 4.038574       12.45545 
1 1 1 17 30 25 o 27.106  5.9468 10.052   2.7963  31.972  6.7142 22.241  9.8172 9.731028       11.89358 
1 1 1 17 31 0  o 165.084 3.1851 274.690  10.507  165.084 3.1851 ?       ?      0.000000       0.000000 
1 1 1 17 31 2  o 96.337  2.5430 94.317   3.4553  97.631  3.7254 95.043  3.4624 2.588356       5.085927 
1 1 1 17 31 4  o 38.642  5.7641 16.742   3.1175  44.655  6.9814 32.629  9.1738 12.02600       11.52813 
1 1 1 17 31 6  o 45.256  5.4871 22.455   3.4052  49.501  6.9977 41.011  8.4537 8.489697       10.97419 
1 1 1 17 31 8  o 41.801  5.6728 19.571   3.2330  41.592  8.0607 42.010  7.9842 -0.4171219     11.34560 
1 1 1 17 31 10 o 61.282  4.0453 40.112   3.4290  66.787  4.9272 55.777  6.4173 11.01024       8.090687 
1 1 1 17 31 12 o 17.701  5.5764 -1.3348  2.8855  19.277  8.2464 16.125  7.5089 3.151823       11.15282 
1 1 1 17 31 14 o 54.865  4.0405 31.371   3.0508  50.189  5.1764 59.542  6.2055 -9.353043      8.081018 
1 1 1 17 31 16 o 52.588  4.1525 30.084   3.0755  51.308  5.6260 53.867  6.1090 -2.558674      8.304919 
1 1 1 17 31 18 o 33.567  7.5282 15.478   3.8377  37.390  11.693 29.744  9.4849 7.645443       15.05633 
1 1 1 17 31 20 o 19.077  5.7644 2.1078   2.8242  20.594  8.3770 17.560  7.9208 3.034178       11.52879 
1 1 1 17 31 22 o 24.744  6.1268 8.0060   2.6544  23.676  8.5452 25.813  8.7824 -2.136843      12.25367 
1 1 1 17 31 24 o 28.288  6.9085 12.500   3.2408  27.567  8.6595 29.009  10.767 -1.442074      13.81699 
1 1 1 17 32 1  o 81.069  2.9832 67.911   3.4023  78.564  4.4825 83.573  3.9376 -5.009094      5.966365 
1 1 1 17 32 3  o 44.449  5.0502 21.474   3.1658  43.431  6.9123 45.466  7.3647 -2.035423      10.10048 
1 1 1 17 32 5  o 52.576  4.2661 29.593   3.1461  49.031  6.4761 56.121  5.5551 -7.090206      8.532213 
1 1 1 17 32 7  o 61.128  3.8332 39.617   3.2816  63.290  4.9258 58.967  5.8744 4.323116       7.666315 
1 1 1 17 32 9  o 71.714  3.3879 53.813   3.4348  72.306  4.7108 71.123  4.8703 1.182663       6.775865 
1 1 1 17 32 11 o 63.504  3.4583 42.537   3.0863  68.592  4.6293 58.416  5.1391 10.17548       6.916696 
1 1 1 17 32 13 o 16.940  5.5414 -3.4639  3.2330  19.124  8.4782 14.755  7.1378 4.369467       11.08273 
1 1 1 17 32 15 f 32.237  6.6188 13.782   3.2044  33.917  8.3788 30.558  10.248 3.359133       13.23760 
1 1 1 17 32 17 o 37.706  5.3798 17.435   2.7712  36.774  7.7752 38.638  7.4375 -1.863476      10.75967 
1 1 1 17 32 19 o 36.019  6.0117 16.990   2.9691  37.978  7.1039 34.060  9.7003 3.917713       12.02336 
1 1 1 17 32 21 o 17.600  5.6324 0.6543   3.0791  18.378  8.0154 16.823  7.9150 1.554686       11.26478 
1 1 1 17 33 0  o 13.200  8.8138 -0.5773  6.1196  13.200  8.8138 ?       ?      0.000000       0.000000 
1 1 1 17 33 2  o 44.082  5.7076 22.516   3.4639  40.439  8.8106 47.725  7.2581 -7.285702      11.41515 
1 1 1 17 33 4  o 34.523  6.2391 14.470   3.0326  33.078  8.3673 35.969  9.2570 -2.891434      12.47811 
1 1 1 17 33 6  o 22.642  6.4600 4.6503   3.2555  21.037  9.0256 24.248  9.2447 -3.211014      12.91996 
1 1 1 17 33 8  o 27.746  6.8198 10.082   3.2897  26.389  9.5318 29.103  9.7562 -2.714411      13.63958 
1 1 1 17 33 10 o 28.725  6.0691 10.392   2.8866  35.031  8.3473 22.419  8.8123 12.61140       12.13810 
1 1 1 17 33 12 o 28.570  6.0992 10.225   3.1375  35.913  8.0738 21.227  9.1440 14.68554       12.19833 
1 1 1 17 33 14 o 29.681  6.4732 12.114   3.0285  31.980  8.8907 27.382  9.4109 4.597670       12.94646 
1 1 1 17 33 16 o 31.195  6.9606 13.968   3.4290  29.737  9.6717 32.653  10.013 -2.916046      13.92111 
1 1 1 17 33 18 o 31.336  6.3829 14.646   3.0755  34.994  8.3529 27.678  9.6537 7.315784       12.76572 
1 1 1 17 34 1  o 59.531  4.1505 39.206   3.4926  58.849  5.9843 60.214  5.7527 -1.364986      8.300920 
1 1 1 17 34 3  o 29.958  6.5559 11.770   3.0424  29.142  8.8943 30.774  9.6340 -1.631361      13.11187 
1 1 1 17 34 5  o 15.135  5.1407 -7.3290  3.2816  13.845  6.8371 16.425  7.6786 -2.579629      10.28134 
1 1 1 17 34 7  o 26.749  6.9294 9.2856   3.5785  30.859  10.168 22.639  9.4169 8.219904       13.85881 
1 1 1 17 34 9  o 27.982  6.4976 10.764   3.0326  30.141  8.7062 25.823  9.6476 4.318335       12.99520 
1 1 1 17 34 11 o 17.709  5.7266 -0.8164  3.2494  18.283  8.1668 17.135  8.0299 1.148270       11.45327 
1 1 1 17 34 13 o 25.523  6.7349 9.1186   3.2596  25.437  9.4163 25.608  9.6317 -0.1708412     13.46985 
1 1 1 17 34 15 o 23.942  6.3833 7.7107   3.3817  29.055  9.4117 18.830  8.6260 10.22431       12.76665 
1 1 1 17 35 0  o 44.064  8.6734 23.670   6.8124  44.064  8.6734 ?       ?      0.000000       0.000000 
1 1 1 17 35 2  o 18.743  5.9246 0.8471   3.2494  18.118  8.3217 19.367  8.4351 -1.248981      11.84911 
1 1 1 17 35 4  o 16.206  5.3629 -2.5816  3.0326  15.581  7.2668 16.832  7.8891 -1.250278      10.72584 
1 1 1 17 35 6  o 27.598  6.5484 10.217   3.2237  21.648  8.8655 33.549  9.6400 -11.90023      13.09686 
1 1 1 17 35 8  o 50.992  4.9033 31.448   3.5179  52.583  6.4778 49.401  7.3625 3.181805       9.806502 
1 1 1 17 35 10 o 35.062  6.5538 18.063   3.3583  28.022  9.2378 42.102  9.2990 -14.07948      13.10756 
1 1 1 17 35 12 o 16.254  5.4299 -3.3173  3.3173  14.562  7.0664 17.945  8.2464 -3.383011      10.85984 
1 1 1 17 36 1  o 25.105  6.5481 8.9951   3.2867  19.964  8.6421 30.246  9.8399 -10.28181      13.09621 
1 1 1 17 36 3  o 16.902  5.6588 -2.6141  3.6025  17.086  8.0113 16.717  7.9942 0.3691959      11.31758 
1 1 1 17 36 5  o 24.822  6.7914 8.4000   3.6940  29.541  10.164 20.104  9.0106 9.436159       13.58283 
1 1 1 18 1  1  o 680.901 4.2324 4643.54  39.609  682.735 5.1074 679.068 6.7503 3.666565       8.464819 
1 1 1 18 1  3  o 580.480 3.6185 3368.83  28.696  578.899 4.2983 582.061 5.8222 -3.161499      7.236942 
1 1 1 18 1  5  o 165.644 1.5659 276.381  3.5415  169.655 1.8376 161.633 2.5360 8.021744       3.131758 
1 1 1 18 1  7  o 243.862 1.8721 594.952  6.1406  244.025 2.1293 243.698 3.0797 0.3266449      3.744106 
1 1 1 18 1  9  o 751.549 4.7062 5658.58  49.616  752.230 6.1475 750.869 7.1275 1.361938       9.412373 
1 1 1 18 1  11 o 143.261 1.6555 202.439  3.1627  138.311 1.8783 148.211 2.7267 -9.900177      3.311055 
1 1 1 18 1  13 o 79.659  1.8301 63.076   2.0003  77.923  2.2227 81.394  2.9081 -3.471130      3.660221 
1 1 1 18 1  15 o 267.090 1.9982 715.543  7.4608  271.195 2.5546 262.985 3.0734 8.210480       3.996432 
1 1 1 18 1  17 o 101.202 1.6440 102.875  2.3292  103.943 2.1106 98.462  2.5213 5.481117       3.288084 
1 1 1 18 1  19 o 264.709 1.9814 699.723  7.3933  258.951 2.6977 270.468 2.9030 -11.51694      3.962901 
1 1 1 18 1  21 o 104.196 1.7217 107.791  2.5192  111.476 2.4859 96.917  2.3828 14.55945       3.443414 
1 1 1 18 1  23 o 88.958  1.8119 78.978   2.2713  91.517  2.6495 86.399  2.4724 5.117706       3.623871 
1 1 1 18 1  25 o 46.596  2.9950 21.735   1.9561  51.359  4.0467 41.833  4.4162 9.525856       5.989912 
1 1 1 18 1  27 o 100.089 1.6728 100.282  2.3656  100.057 2.4234 100.120 2.3065 -0.6272888E-01 3.345559 
1 1 1 18 1  29 o 53.602  3.1048 30.092   2.0708  57.804  2.8964 49.401  5.4926 8.402653       6.209532 
1 1 1 18 1  31 o 107.913 1.8335 115.717  2.6737  105.436 2.1355 110.390 2.9810 -4.954582      3.666974 
1 1 1 18 1  33 o 98.087  1.9401 93.766   2.4436  92.667  2.0559 103.507 3.2908 -10.83953      3.880236 
1 1 1 18 1  35 o 77.889  2.3254 60.229   2.4339  75.135  2.6893 80.642  3.7943 -5.507607      4.650721 
1 1 1 18 1  37 o 58.866  2.7300 35.820   2.1558  63.202  3.0144 54.530  4.5525 8.672447       5.460036 
1 1 1 18 1  39 o 39.878  3.9367 16.291   2.2043  36.956  5.4677 42.800  5.6653 -5.843689      7.873462 
1 1 1 18 1  41 o 15.868  5.0623 -1.4117  2.2584  14.691  6.4241 17.045  7.8254 -2.353920      10.12458 
1 1 1 18 1  43 o 19.462  5.4187 1.8830   2.4869  22.399  7.5788 16.525  7.7466 5.873442       10.83735 
1 1 1 18 1  45 o 22.282  6.2092 5.7039   2.8450  19.975  8.1119 24.590  9.4029 -4.614300      12.41843 
1 1 1 18 1  47 o 17.444  5.6457 -1.3140  3.2616  20.210  8.7740 14.678  7.1071 5.531896       11.29135 
1 1 1 18 2  0  o 1074.62 8.8443 11561.24 190.055 1074.62 8.8443 ?       ?      0.000000       0.000000 
1 1 1 18 2  2  o 961.152 5.5206 9243.85  74.970  944.110 7.6865 978.193 7.9263 -34.08325      11.04125 
1 1 1 18 2  4  o 723.520 4.5386 5238.95  45.136  722.975 5.4860 724.064 7.2318 -1.089294      9.077182 
1 1 1 18 2  6  o 185.249 1.6871 341.429  4.2783  181.997 2.0302 188.501 2.6952 -6.503860      3.374266 
1 1 1 18 2  8  o 211.735 1.9572 448.493  5.8597  213.126 2.7359 210.344 2.7996 2.781769       3.914428 
1 1 1 18 2  10 o 286.901 2.5690 817.432  9.8323  281.558 2.8911 292.244 4.2473 -10.68573      5.137911 
1 1 1 18 2  12 o 241.796 1.8888 583.001  6.1808  239.601 2.1927 243.992 3.0760 -4.391190      3.777509 
1 1 1 18 2  14 o 235.788 1.8092 555.947  6.0296  233.610 2.5207 237.965 2.5959 -4.354523      3.618405 
1 1 1 18 2  16 o 120.886 1.4858 146.101  2.5389  118.427 2.0962 123.344 2.1063 -4.917465      2.971608 
1 1 1 18 2  18 o 89.950  1.5654 80.790   1.9880  93.350  2.2264 86.549  2.2012 6.800385       3.130888 
1 1 1 18 2  20 o 161.586 1.5686 261.470  3.5794  166.570 2.1489 156.602 2.2857 9.968231       3.137190 
1 1 1 18 2  22 o 232.350 1.7747 540.338  5.8304  232.811 2.4798 231.888 2.5395 0.9232025      3.549393 
1 1 1 18 2  24 o 143.117 1.5999 205.166  3.2289  141.560 2.3654 144.674 2.1549 -3.114029      3.199792 
1 1 1 18 2  26 o 91.786  1.7368 84.405   2.2516  89.082  2.5275 94.491  2.3828 -5.409279      3.473649 
1 1 1 18 2  28 o 247.982 1.8766 615.783  6.5795  249.849 2.6804 246.115 2.6272 3.734634       3.753253 
1 1 1 18 2  30 o 107.624 1.8012 114.264  2.4906  104.404 1.8801 110.844 3.0730 -6.439651      3.602498 
1 1 1 18 2  32 o 48.265  3.6675 24.118   2.2262  50.752  3.5264 45.778  6.4318 4.973370       7.335047 
1 1 1 18 2  34 o 89.425  2.2726 78.519   2.7035  84.399  2.5994 94.451  3.7286 -10.05249      4.545194 
1 1 1 18 2  36 o 121.298 1.8510 147.731  3.0868  121.182 2.2391 121.415 2.9481 -0.2334213     3.702005 
1 1 1 18 2  38 o 58.098  3.1733 33.983   2.5351  56.208  3.9031 59.988  5.0044 -3.780750      6.346528 
1 1 1 18 2  40 o 37.692  5.1815 15.084   2.5725  32.444  6.8019 42.940  7.8184 -10.49616      10.36304 
1 1 1 18 2  42 o 40.619  4.5728 17.805   2.3916  40.132  4.8911 41.107  7.7277 -0.9748344     9.145523 
1 1 1 18 2  44 o 27.487  5.9883 9.5376   2.5948  29.652  7.4114 25.322  9.4078 4.329470       11.97651 
1 1 1 18 2  46 o 20.265  5.7312 3.9720   2.6909  22.839  8.1652 17.691  8.0445 5.147907       11.46231 
1 1 1 18 3  1  o 379.419 2.5878 1439.91  13.880  378.234 3.6022 380.603 3.7163 -2.369019      5.175611 
1 1 1 18 3  3  o 293.738 2.0358 862.544  8.4530  288.561 2.8610 298.916 2.8971 -10.35489      4.071661 
1 1 1 18 3  5  f 236.941 1.7402 561.010  5.8258  244.139 2.4593 229.742 2.4627 14.39771       3.480365 
1 1 1 18 3  7  o 419.400 2.9134 1759.99  17.052  419.383 3.7168 419.418 4.4873 -0.3549194E-01 5.826753 
1 1 1 18 3  9  o 77.286  1.9584 59.296   2.0971  74.824  2.4690 79.748  3.0405 -4.923904      3.916731 
1 1 1 18 3  11 o 214.110 1.7552 458.702  5.3089  212.666 2.5518 215.553 2.4105 -2.887497      3.510303 
1 1 1 18 3  13 o 344.889 2.3140 1189.70  11.281  341.696 3.2271 348.082 3.3172 -6.386139      4.627932 
1 1 1 18 3  15 o 238.278 1.8249 568.016  6.1484  235.153 2.6024 241.403 2.5589 -6.250198      3.649752 
1 1 1 18 3  17 o 159.840 1.5706 255.324  3.5447  162.258 2.2772 157.422 2.1637 4.835266       3.141214 
1 1 1 18 3  19 o 96.406  1.7920 93.313   2.4234  104.819 2.3684 87.994  2.6900 16.82506       3.584026 
1 1 1 18 3  21 o 382.210 2.5853 1463.33  13.967  381.347 3.7242 383.074 3.5868 -1.727325      5.170611 
1 1 1 18 3  23 o 155.704 1.5601 242.594  3.4348  155.592 2.2263 155.816 2.1860 -0.2241364     3.120125 
1 1 1 18 3  25 o 159.754 1.5857 255.324  3.5710  160.290 2.3411 159.218 2.1393 1.072571       3.171381 
1 1 1 18 3  27 o 89.511  1.7856 80.408   2.2456  87.764  2.6970 91.258  2.3407 -3.493668      3.571117 
1 1 1 18 3  29 o 50.658  2.9683 26.160   1.9580  52.357  3.0875 48.960  5.0705 3.396801       5.936520 
1 1 1 18 3  31 o 92.601  1.8007 85.843   2.2950  92.374  2.1874 92.828  2.8609 -0.4539719     3.601313 
1 1 1 18 3  33 o 26.345  5.8401 7.0145   2.3574  25.173  7.4841 27.517  8.9674 -2.343996      11.68012 
1 1 1 18 3  35 o 47.550  3.5978 23.220   2.2352  48.912  3.7771 46.189  6.1246 2.722916       7.195608 
1 1 1 18 3  37 o 37.509  4.5833 14.779   2.2169  38.439  4.8062 36.580  7.8056 1.858883       9.166623 
1 1 1 18 3  39 o 30.376  5.5305 9.8050   2.3962  24.262  7.6672 36.489  7.9725 -12.22684      11.06109 
1 1 1 18 3  41 o 31.175  5.5457 11.260   2.4367  34.417  6.2709 27.933  9.1485 6.484926       11.09143 
1 1 1 18 3  43 o 28.616  5.9264 10.138   2.5864  30.749  7.8560 26.483  8.8754 4.265678       11.85281 
1 1 1 18 3  45 o 19.355  5.7173 2.9419   2.6692  20.355  7.9861 18.355  8.1836 2.000454       11.43455 
1 1 1 18 4  0  o 303.891 3.2875 923.948  19.975  303.891 3.2875 ?       ?      0.000000       0.000000 
1 1 1 18 4  2  o 359.129 2.3984 1289.84  12.177  356.511 3.3521 361.747 3.4312 -5.236511      4.796871 
1 1 1 18 4  4  f 55.800  2.1688 31.219   1.7026  51.972  3.2214 59.627  2.9047 -7.655796      4.337592 
1 1 1 18 4  6  o 164.557 1.5633 270.786  3.6362  160.558 2.2294 168.556 2.1921 -7.998123      3.126536 
1 1 1 18 4  8  o 624.239 3.9024 3900.49  33.269  624.595 6.2853 623.882 4.6269 0.7126465      7.804706 
1 1 1 18 4  10 o 394.240 2.6268 1555.49  14.622  395.762 3.5886 392.717 3.8369 3.044250       5.253520 
1 1 1 18 4  12 o 68.849  1.7470 47.112   1.6909  64.910  2.4014 72.789  2.5381 -7.878815      3.494093 
1 1 1 18 4  14 o 306.532 2.1576 940.025  9.3494  305.763 3.0021 307.301 3.0998 -1.538513      4.315300 
1 1 1 18 4  16 o 13.550  4.5777 -4.7297  2.0871  15.951  7.4591 11.149  5.3090 4.802339       9.155497 
1 1 1 18 4  18 o 182.905 1.6722 332.822  4.3022  192.384 2.4307 173.427 2.2969 18.95647       3.344306 
1 1 1 18 4  20 o 370.571 2.6560 1375.80  13.827  371.767 3.4941 369.376 4.0012 2.390442       5.312069 
1 1 1 18 4  22 o 129.943 1.5551 168.940  2.8575  128.322 2.2045 131.564 2.1941 -3.241684      3.110280 
1 1 1 18 4  24 o 135.921 1.6386 184.980  3.1461  131.505 2.3707 140.337 2.2626 -8.832764      3.277113 
1 1 1 18 4  26 o 173.029 1.5807 299.596  3.8672  171.246 2.2251 174.812 2.2457 -3.565552      3.161355 
1 1 1 18 4  28 o 85.408  1.9967 73.139   2.3677  85.120  3.1199 85.697  2.4926 -0.5764542     3.993380 
1 1 1 18 4  30 f 136.397 1.6889 186.694  3.1959  137.564 2.0984 135.231 2.6469 2.332901       3.377753 
1 1 1 18 4  32 o 57.872  2.9272 33.080   2.3176  54.345  3.6119 61.398  4.6075 -7.052235      5.854455 
1 1 1 18 4  34 o 101.329 1.9923 102.994  2.7712  100.990 2.4010 101.668 3.1800 -0.6780548     3.984580 
1 1 1 18 4  36 o 30.517  5.1808 10.158   2.3163  36.397  5.5516 24.636  8.7488 11.76094       10.36154 
1 1 1 18 4  38 o 18.046  5.4550 0.3559   2.3962  16.159  6.9935 19.933  8.3738 -3.773243      10.91004 
1 1 1 18 4  40 o 34.164  5.2405 13.505   2.4367  40.638  5.1143 27.690  9.1485 12.94845       10.48102 
1 1 1 18 4  42 o 43.176  3.9619 19.563   2.3904  39.490  5.4092 46.861  5.7903 -7.371368      7.923854 
1 1 1 18 4  44 o 19.081  5.7233 2.2981   2.6594  18.445  7.7510 19.717  8.4231 -1.272051      11.44665 
1 1 1 18 4  46 o 17.427  5.3912 1.8684   2.5192  17.664  7.8377 17.191  7.4049 0.4733868      10.78244 
1 1 1 18 5  1  o 307.965 2.1211 947.777  9.2195  311.870 3.0914 304.060 2.9050 7.810089       4.242197 
1 1 1 18 5  3  o 733.068 4.2740 5376.81  44.261  741.273 6.1761 724.863 5.9097 16.41077       8.548033 
1 1 1 18 5  5  o 529.464 3.3496 2816.65  24.426  521.376 5.3372 537.552 4.0489 -16.17590      6.699228 
1 1 1 18 5  7  o 591.375 4.3482 3494.02  32.991  593.966 7.4648 588.784 4.4614 5.182129       8.696414 
1 1 1 18 5  9  o 257.185 2.0633 661.993  7.4272  256.403 3.1523 257.966 2.6632 -1.562988      4.126674 
1 1 1 18 5  11 o 119.256 1.5517 142.166  2.3815  119.395 2.6595 119.117 1.5994 0.2780609      3.103359 
1 1 1 18 5  13 o 366.218 2.4972 1342.05  12.930  366.120 3.5795 366.315 3.4830 -0.1957092     4.994416 
1 1 1 18 5  15 o 335.521 2.4598 1126.45  11.639  336.155 3.6238 334.888 3.3272 1.266724       4.919547 
1 1 1 18 5  17 o 157.075 1.5461 246.497  3.4290  160.288 2.2331 153.861 2.1388 6.427078       3.092104 
1 1 1 18 5  19 o 89.582  1.8788 81.390   2.3349  97.221  2.3159 81.943  2.9591 15.27802       3.757622 
1 1 1 18 5  21 o 128.085 1.6717 163.010  3.0087  137.136 2.3996 119.033 2.3281 18.10323       3.343350 
1 1 1 18 5  23 o 152.671 1.5777 233.191  3.4052  155.808 2.2232 149.534 2.2393 6.273468       3.155474 
1 1 1 18 5  25 o 134.428 1.5337 180.373  2.9015  131.428 2.0646 137.427 2.2685 -5.998688      3.067335 
1 1 1 18 5  27 f 118.931 1.6670 141.421  2.7854  120.062 2.5004 117.800 2.2054 2.262428       3.334053 
1 1 1 18 5  29 o 92.651  2.1148 85.966   2.7663  91.196  2.9121 94.105  3.0674 -2.909241      4.229566 
1 1 1 18 5  31 o 60.621  2.8573 36.619   2.3368  59.247  3.3131 61.995  4.6562 -2.747345      5.714628 
1 1 1 18 5  33 o 29.827  5.2831 9.4820   2.3371  34.882  5.7928 24.771  8.8369 10.11073       10.56628 
1 1 1 18 5  35 o 18.590  5.4748 0.1698   2.3772  14.070  6.4189 23.109  8.8709 -9.039195      10.94970 
1 1 1 18 5  37 o 30.905  5.3013 10.213   2.2862  27.389  7.4091 34.422  7.5841 -7.032219      10.60252 
1 1 1 18 5  39 o 18.173  5.3072 0.3029   2.3962  20.379  7.6033 15.968  7.4063 4.411293       10.61433 
1 1 1 18 5  41 o 38.905  4.3593 16.272   2.3292  35.017  6.5084 42.793  5.8012 -7.776062      8.718558 
1 1 1 18 5  43 o 23.075  6.0958 5.9554   2.7497  24.729  8.3022 21.422  8.9281 3.306883       12.19164 
1 1 1 18 5  45 o 41.337  5.0563 20.724   2.7640  44.938  5.5243 37.736  8.4703 7.201977       10.11254 
1 1 1 18 6  0  o 230.590 2.4041 531.945  11.085  230.590 2.4041 ?       ?      0.000000       0.000000 
1 1 1 18 6  2  o 77.766  2.2127 61.441   2.3656  65.963  3.5009 89.569  2.7071 -23.60654      4.425474 
1 1 1 18 6  4  o 63.854  2.0027 41.223   1.7036  62.088  3.3475 65.620  2.1995 -3.532787      4.005404 
1 1 1 18 6  6  o 107.541 1.8393 113.342  2.4370  111.129 3.2209 103.953 1.7772 7.176567       3.678700 
1 1 1 18 6  8  o 429.704 3.0046 1849.34  18.071  427.483 4.5918 431.925 3.8762 -4.442444      6.009108 
1 1 1 18 6  10 o 455.971 3.0081 2085.16  18.961  451.996 4.7515 459.946 3.6903 -7.949249      6.016188 
1 1 1 18 6  12 o 281.204 2.0388 794.003  7.9185  276.982 3.2307 285.427 2.4879 -8.444916      4.077629 
1 1 1 18 6  14 o 243.251 1.8827 592.741  6.2006  242.308 3.0736 244.195 2.1751 -1.886902      3.765318 
1 1 1 18 6  16 o 24.635  4.6135 6.2290   1.6327  27.225  6.6270 22.046  6.4204 5.178190       9.227065 
1 1 1 18 6  18 o 143.150 1.6539 202.243  3.2678  135.639 2.0856 150.661 2.5674 -15.02177      3.307747 
1 1 1 18 6  20 o 131.871 1.4549 173.914  2.7122  134.519 2.0601 129.224 2.0551 5.294296       2.909852 
1 1 1 18 6  22 o 188.544 1.8781 356.544  4.9897  193.219 2.5099 183.870 2.7945 9.349136       3.756117 
1 1 1 18 6  24 o 170.982 1.6132 292.793  3.8967  174.562 2.2159 167.402 2.3451 7.160172       3.226410 
1 1 1 18 6  26 o 138.061 1.6710 190.455  3.2494  140.436 2.4666 135.686 2.2551 4.749359       3.342043 
1 1 1 18 6  28 o 169.738 1.5874 288.488  3.8103  170.435 2.2357 169.040 2.2541 1.394516       3.174758 
1 1 1 18 6  30 o 22.469  5.0431 4.9794   1.8186  23.764  6.5815 21.174  7.6430 2.589630       10.08620 
1 1 1 18 6  32 o 40.280  3.6025 16.515   2.0190  35.419  5.5420 45.141  4.6041 -9.722775      7.204988 
1 1 1 18 6  34 f 28.565  4.7637 8.6532   2.0190  34.832  5.6354 22.298  7.6820 12.53363       9.527384 
1 1 1 18 6  36 f 20.213  5.4000 2.9170   2.1802  21.987  7.5746 18.440  7.6983 3.547417       10.79992 
1 1 1 18 6  38 o 24.000  5.8330 5.8289   2.3955  23.725  8.1958 24.276  8.3022 -0.5510311     11.66604 
1 1 1 18 6  40 o 72.049  2.6392 52.867   2.6693  71.474  3.4733 72.623  3.9748 -1.148849      5.278485 
1 1 1 18 6  42 o 56.801  3.0188 33.542   2.4248  57.258  4.2348 56.344  4.3035 0.9147568      6.037672 
1 1 1 18 6  44 o 19.561  5.8512 2.5196   2.8512  20.575  8.1453 18.548  8.4023 2.026901       11.70233 
1 1 1 18 6  46 o 16.721  5.3154 0.2570   2.6818  14.643  6.8794 18.798  8.1047 -4.155261      10.63070 
1 1 1 18 7  1  o 60.232  2.1975 39.493   1.6245  49.925  3.9317 70.539  1.9643 -20.61388      4.395036 
1 1 1 18 7  3  o 380.484 2.9093 1456.78  14.669  375.225 4.8774 385.744 3.1729 -10.51920      5.818599 
1 1 1 18 7  5  o 288.387 2.1592 828.280  8.3771  291.861 3.5408 284.913 2.4721 6.947845       4.318364 
1 1 1 18 7  7  f 609.354 3.8376 3716.02  32.033  610.139 6.1504 608.568 4.5915 1.570068       7.675244 
1 1 1 18 7  9  o 435.207 2.8924 1897.55  17.606  432.407 4.4327 438.006 3.7170 -5.599152      5.784830 
1 1 1 18 7  11 o 173.038 1.6422 298.996  3.8999  174.065 2.6202 172.010 1.9802 2.054733       3.284323 
1 1 1 18 7  13 o 115.591 1.5670 132.426  2.3650  117.881 2.6447 113.302 1.6815 4.578438       3.133951 
1 1 1 18 7  15 o 268.881 2.0519 719.095  7.4261  273.251 3.3593 264.511 2.3572 8.740753       4.103854 
1 1 1 18 7  17 o 304.826 2.4574 930.088  10.593  306.736 3.4820 302.915 3.4687 3.820618       4.914890 
1 1 1 18 7  19 f 188.049 1.6896 351.784  4.2984  191.205 2.7477 184.893 1.9672 6.311371       3.379245 
1 1 1 18 7  21 f 175.236 1.7335 308.609  4.2691  167.605 2.6178 182.866 2.2731 -15.26079      3.466999 
1 1 1 18 7  23 o 181.842 1.5940 330.922  4.0990  182.635 2.2444 181.048 2.2640 1.587433       3.187947 
1 1 1 18 7  25 o 125.544 1.7083 157.824  3.0285  124.965 2.4947 126.123 2.3345 -1.157173      3.416662 
1 1 1 18 7  27 o 116.598 1.5930 136.104  2.6265  117.735 2.2557 115.460 2.2501 2.274452       3.186039 
1 1 1 18 7  29 f 98.257  2.0981 96.654   2.9083  96.594  2.8688 99.919  3.0623 -3.324409      4.196184 
1 1 1 18 7  31 o 71.224  2.3381 50.390   2.2580  69.046  2.7593 73.403  3.7753 -4.357033      4.676133 
1 1 1 18 7  33 o 38.796  4.2387 15.735   2.2043  41.223  4.9017 36.369  6.9166 4.854195       8.477360 
1 1 1 18 7  35 f 63.781  2.7980 40.959   2.4712  62.958  3.4846 64.605  4.3787 -1.647167      5.596060 
1 1 1 18 7  37 o 27.405  5.2086 8.1626   2.1461  31.526  6.4489 23.284  8.1811 8.241766       10.41719 
1 1 1 18 7  39 o 38.642  4.4842 16.147   2.3207  41.431  5.1558 35.853  7.3383 5.578121       8.968442 
1 1 1 18 7  41 o 55.071  3.5608 31.897   2.7055  56.058  4.3255 54.084  5.6576 1.974033       7.121627 
1 1 1 18 7  43 o 21.669  5.6438 5.1403   2.3349  23.594  8.0002 19.744  7.9629 3.850304       11.28765 
1 1 1 18 7  45 o 19.622  5.5482 3.4857   2.4533  22.762  8.3396 16.482  7.3201 6.279470       11.09650 
1 1 1 18 8  0  o 144.276 2.0417 208.298  5.8887  144.276 2.0417 ?       ?      0.000000       0.000000 
1 1 1 18 8  2  o 457.973 2.8534 2099.15  18.474  466.014 3.9767 449.931 4.0932 16.08347       5.706890 
1 1 1 18 8  4  o 122.265 1.7167 149.337  2.8889  122.828 2.7261 121.703 2.0872 1.125420       3.433430 
1 1 1 18 8  6  o 181.364 1.7401 328.782  4.3167  181.787 2.7947 180.941 2.0739 0.8455811      3.480186 
1 1 1 18 8  8  o 437.674 2.8698 1914.86  17.258  439.454 4.5718 435.894 3.4701 3.559143       5.739562 
1 1 1 18 8  10 o 320.472 2.4810 1027.68  10.676  320.443 4.0897 320.500 2.8101 -0.5700684E-01 4.962077 
1 1 1 18 8  12 o 323.292 2.3508 1048.25  10.507  320.266 3.7134 326.318 2.8838 -6.051666      4.701685 
1 1 1 18 8  14 o 124.490 1.5421 154.182  2.5948  126.430 2.5115 122.550 1.7902 3.879982       3.084197 
1 1 1 18 8  16 o 74.758  1.9103 56.221   1.9579  73.324  3.0707 76.193  2.2731 -2.869026      3.820528 
1 1 1 18 8  18 o 171.764 1.8050 298.521  4.0546  167.455 3.0684 176.073 1.9018 -8.618301      3.609943 
1 1 1 18 8  20 o 377.195 2.6075 1429.41  13.573  372.680 4.1361 381.710 3.1762 -9.030090      5.214946 
1 1 1 18 8  22 o 80.726  2.1699 67.893   2.1650  74.980  3.8499 86.473  2.0029 -11.49290      4.339703 
1 1 1 18 8  24 o 46.459  3.6911 22.144   2.0871  44.789  6.5738 48.129  3.3587 -3.340435      7.382113 
1 1 1 18 8  26 o 86.126  1.9123 73.927   2.0724  86.861  3.3232 85.391  1.8931 1.469818       3.824606 
1 1 1 18 8  28 o 164.381 1.8586 269.220  4.2156  167.918 2.9224 160.845 2.2972 7.073486       3.717177 
1 1 1 18 8  30 o 109.380 1.7014 119.897  2.6189  109.760 2.2617 109.000 2.5423 0.7600403      3.402786 
1 1 1 18 8  32 o 28.193  4.7427 8.4040   1.8723  25.196  6.9020 31.190  6.5065 -5.993074      9.485376 
1 1 1 18 8  34 o 104.738 1.8775 109.976  2.7411  103.712 2.3936 105.763 2.8931 -2.051125      3.754922 
1 1 1 18 8  36 o 66.338  2.5210 44.206   2.3544  62.643  3.5021 70.034  3.6271 -7.391026      5.041933 
1 1 1 18 8  38 o 16.887  5.1069 0.2833   2.1461  16.111  6.8799 17.662  7.5490 -1.551039      10.21372 
1 1 1 18 8  40 o 18.833  5.3626 2.1953   2.2193  17.019  7.2191 20.647  7.9318 -3.627640      10.72515 
1 1 1 18 8  42 o 44.616  4.0729 21.945   2.5389  47.882  5.1846 41.351  6.2827 6.530643       8.145706 
1 1 1 18 8  44 o 27.440  5.4356 9.5289   2.1802  28.197  8.0149 26.683  7.3447 1.514074       10.87119 
1 1 1 18 9  1  o 279.401 2.1139 780.864  8.3198  279.128 2.8336 279.675 3.1377 -0.5470581     4.227798 
1 1 1 18 9  3  o 514.006 3.2164 2643.64  23.375  507.000 4.5320 521.013 4.5653 -14.01270      6.432822 
1 1 1 18 9  5  o 356.874 2.3998 1274.72  11.897  356.271 3.7433 357.476 3.0039 -1.205078      4.799517 
1 1 1 18 9  7  o 476.456 3.1405 2270.24  20.510  477.904 5.0254 475.008 3.7677 2.896057       6.280966 
1 1 1 18 9  9  o 153.680 1.5515 236.051  3.2089  154.011 2.5490 153.350 1.7694 0.6617737      3.102975 
1 1 1 18 9  11 o 275.626 2.1255 759.119  8.0882  277.061 3.3548 274.191 2.6109 2.870422       4.251059 
1 1 1 18 9  13 o 258.883 2.1197 668.987  7.3018  260.444 3.5245 257.323 2.3558 3.121155       4.239334 
1 1 1 18 9  15 o 221.864 1.8371 494.152  5.6572  218.456 2.8806 225.272 2.2809 -6.816666      3.674264 
1 1 1 18 9  17 o 277.067 2.1557 774.657  8.0986  270.069 3.5272 284.065 2.4795 -13.99625      4.311484 
1 1 1 18 9  19 o 243.393 2.3433 594.366  7.5369  242.232 3.9325 244.553 2.5496 -2.320862      4.686690 
1 1 1 18 9  21 o 121.737 1.7008 149.768  2.7735  118.518 2.8253 124.955 1.8943 -6.437096      3.401550 
1 1 1 18 9  23 o 168.737 1.7296 282.642  3.8029  171.676 2.9257 165.798 1.8455 5.878754       3.459126 
1 1 1 18 9  25 o 111.382 1.7725 123.423  2.6083  113.012 2.9629 109.753 1.9463 3.259209       3.545002 
1 1 1 18 9  27 o 96.424  2.1788 94.252   2.5140  94.707  3.9014 98.140  1.9413 -3.433365      4.357665 
1 1 1 18 9  29 o 28.651  5.2447 8.6855   1.9016  25.503  9.6224 31.798  4.1758 -6.295597      10.48945 
1 1 1 18 9  31 o 12.284  4.0808 -3.4677  1.7431  13.185  6.1861 11.383  5.3239 1.801982       8.161596 
1 1 1 18 9  33 o 24.216  5.1791 5.8735   1.9371  21.553  8.7407 26.880  5.5581 -5.327299      10.35820 
1 1 1 18 9  35 f 63.345  2.5256 39.615   2.0574  65.852  4.2958 60.838  2.6571 5.013832       5.051170 
1 1 1 18 9  37 f 32.372  4.5471 10.623   1.8210  34.693  7.8388 30.052  4.6107 4.641708       9.094231 
1 1 1 18 9  39 o 55.357  3.5812 32.433   2.5948  51.945  6.1128 58.769  3.7330 -6.824341      7.162495 
1 1 1 18 9  41 o 24.383  5.8605 6.1939   2.2268  29.117  9.4097 19.649  6.9885 9.467995       11.72098 
1 1 1 18 9  43 f 16.175  5.0729 0.0195   2.2425  16.584  7.6683 15.765  6.6435 0.8193445      10.14585 
1 1 1 18 9  45 o 20.498  5.7699 4.9131   2.0758  23.021  9.6150 17.975  6.3809 5.046288       11.53972 
1 1 1 18 10 0  o 293.551 2.9901 862.174  17.551  293.551 2.9901 ?       ?      0.000000       0.000000 
1 1 1 18 10 2  o 272.721 2.0119 745.760  7.7344  263.109 2.9842 282.333 2.6992 -19.22458      4.023774 
1 1 1 18 10 4  o 161.176 1.4941 259.567  3.4023  157.505 2.0893 164.846 2.1363 -7.340591      2.988153 
1 1 1 18 10 6  o 86.820  1.8357 75.456   2.2516  84.526  2.6638 89.114  2.5266 -4.588272      3.671424 
1 1 1 18 10 8  o 289.620 2.2147 836.919  8.8271  292.596 3.5121 286.643 2.6989 5.953644       4.429327 
1 1 1 18 10 10 o 233.735 1.8837 549.659  6.0638  228.585 3.0055 238.885 2.2717 -10.30048      3.767480 
1 1 1 18 10 12 o 210.270 1.9948 442.267  5.5366  210.395 3.3477 210.145 2.1703 0.2501984      3.989640 
1 1 1 18 10 14 o 196.511 1.8954 386.572  4.9695  196.268 3.1474 196.754 2.1126 -0.4856873     3.790703 
1 1 1 18 10 16 f 277.728 2.2098 772.020  8.3585  277.789 3.5746 277.668 2.5990 0.1208801      4.419592 
1 1 1 18 10 18 o 168.762 1.8225 289.825  4.1866  158.962 2.9781 178.562 2.1016 -19.60013      3.644953 
1 1 1 18 10 20 o 136.771 1.8020 188.747  3.1245  134.671 3.1295 138.870 1.7876 -4.199554      3.604036 
1 1 1 18 10 22 o 81.658  2.0349 65.973   2.0871  83.362  3.5320 79.955  2.0218 3.407349       4.069726 
1 1 1 18 10 24 f 16.990  5.0886 0.5968   1.7531  20.458  8.4703 13.522  5.6417 6.936111       10.17722 
1 1 1 18 10 26 o 135.104 1.7541 182.145  3.1449  136.278 2.9231 133.930 1.9398 2.348312       3.508157 
1 1 1 18 10 28 o 130.928 1.9500 170.532  3.1166  132.390 3.4450 129.466 1.8283 2.924576       3.900096 
1 1 1 18 10 30 o 89.160  1.9397 79.716   2.2954  89.141  3.2383 89.179  2.1363 -0.3831482E-01 3.879480 
1 1 1 18 10 32 o 42.672  3.6028 16.809   1.8960  49.209  6.1006 36.136  3.8344 13.07375       7.205576 
1 1 1 18 10 34 o 40.192  4.0660 17.108   1.7954  38.350  7.4933 42.035  3.1589 -3.685223      8.131920 
1 1 1 18 10 36 o 87.239  1.9782 75.706   2.0784  88.708  3.5144 85.771  1.8174 2.937477       3.956484 
1 1 1 18 10 38 o 41.066  3.5218 16.668   1.5717  42.855  6.4663 39.276  2.7928 3.579258       7.043665 
1 1 1 18 10 40 o 35.493  4.6433 14.690   1.7531  31.320  8.7171 39.665  3.2021 -8.345228      9.286571 
1 1 1 18 10 42 o 17.094  5.6970 -3.9840  3.4861  16.509  7.6184 17.680  8.4725 -1.171053      11.39397 
1 1 1 18 10 44 f 23.012  6.8202 5.3827   3.9224  19.099  8.7536 26.924  10.461 -7.824909      13.64037 
1 1 1 18 11 1  o 376.243 2.4358 1416.00  12.953  379.391 3.4999 373.096 3.3888 6.294952       4.871689 
1 1 1 18 11 3  o 300.997 2.3970 899.912  10.024  310.927 3.6950 291.066 3.0546 19.86127       4.794084 
1 1 1 18 11 5  o 240.404 1.9016 577.818  6.4614  244.628 2.7140 236.180 2.6644 8.447754       3.803281 
1 1 1 18 11 7  o 143.461 1.5402 205.788  3.1004  143.860 2.3276 143.061 2.0177 0.7984619      3.080421 
1 1 1 18 11 9  o 198.040 2.0504 389.442  5.2280  201.029 3.5036 195.051 2.1311 5.977295       4.100868 
1 1 1 18 11 11 o 240.746 1.9379 581.404  6.4088  238.498 3.0985 242.995 2.3283 -4.497253      3.875771 
1 1 1 18 11 13 o 125.853 1.6824 160.456  2.8329  121.577 2.8017 130.129 1.8633 -8.551910      3.364739 
1 1 1 18 11 15 o 138.830 1.7477 196.541  3.2290  131.850 2.9337 145.809 1.9005 -13.95900      3.495494 
1 1 1 18 11 17 o 67.879  2.1172 47.006   1.8095  65.480  3.7031 70.279  2.0537 -4.799477      4.234420 
1 1 1 18 11 19 o 41.553  3.1418 17.424   1.6984  40.972  5.3544 42.135  3.2884 -1.162594      6.283616 
1 1 1 18 11 21 o 50.261  4.0335 26.617   2.1151  47.368  7.5566 53.155  2.8239 -5.787487      8.067039 
1 1 1 18 11 23 o 40.206  5.4126 18.177   1.9261  36.141  10.438 44.271  2.8690 -8.129738      10.82519 
1 1 1 18 11 25 o 39.853  4.9510 17.023   1.9285  37.592  9.3867 42.115  3.1529 -4.523228      9.902047 
1 1 1 18 11 27 o 81.690  2.4322 66.329   2.2930  82.659  4.4002 80.720  2.0741 1.938835       4.864497 
1 1 1 18 11 29 o 21.907  5.0746 4.1721   1.8413  19.687  8.4607 24.127  5.6057 -4.439739      10.14924 
1 1 1 18 11 31 o 120.599 1.8058 145.139  2.8145  121.844 3.0798 119.354 1.8864 2.489693       3.611656 
1 1 1 18 11 33 o 103.868 1.6628 106.859  2.2425  106.638 2.8152 101.097 1.7703 5.541168       3.325538 
1 1 1 18 11 35 o 25.192  5.2549 6.5782   1.8870  26.232  8.4955 24.151  6.1875 2.081087       10.50989 
1 1 1 18 11 37 o 32.714  6.1454 11.650   3.0908  23.910  8.8805 41.519  8.4971 -17.60928      12.29083 
1 1 1 18 11 39 o 27.118  7.2479 7.3897   3.6179  26.972  8.7824 27.263  11.532 -0.2906857     14.49584 
1 1 1 18 11 41 f 17.698  5.8277 -2.2658  3.3362  16.169  7.4006 19.227  9.0045 -3.058388      11.65545 
1 1 1 18 11 43 o 19.992  6.3371 1.7529   3.5839  18.015  8.1370 21.969  9.7172 -3.954252      12.67414 
1 1 1 18 12 0  o 17.483  8.2496 4.5031   3.2330  17.483  8.2496 ?       ?      0.000000       0.000000 
1 1 1 18 12 2  o 177.839 1.6816 317.142  4.2073  173.763 2.5251 181.916 2.2215 -8.153381      3.363197 
1 1 1 18 12 4  o 146.406 1.3954 214.203  2.8762  145.186 1.8689 147.627 2.0727 -2.440414      2.790848 
1 1 1 18 12 6  o 139.240 1.4518 193.948  2.8575  136.027 2.0796 142.453 2.0264 -6.425827      2.903626 
1 1 1 18 12 8  o 22.321  4.8015 4.6994   1.7146  27.048  6.9938 17.593  6.5806 9.454502       9.602963 
1 1 1 18 12 10 o 115.717 1.5882 132.885  2.3815  117.626 2.6995 113.808 1.6740 3.818733       3.176390 
1 1 1 18 12 12 o 300.774 2.4085 904.895  9.4537  301.205 4.0826 300.343 2.5565 0.8613892      4.817001 
1 1 1 18 12 14 o 127.326 1.7244 164.175  2.8677  123.908 2.9353 130.744 1.8104 -6.835426      3.448753 
1 1 1 18 12 16 o 34.204  4.6289 12.607   1.8344  31.218  8.4751 37.190  3.7257 -5.971605      9.257830 
1 1 1 18 12 18 o 129.094 1.7305 170.097  2.9901  121.922 2.8885 136.265 1.9065 -14.34328      3.460939 
1 1 1 18 12 20 o 74.742  2.4683 58.519   2.0910  70.108  4.5291 79.377  1.9638 -9.269173      4.936542 
1 1 1 18 12 22 o 101.625 1.7978 104.404  2.4155  99.217  3.0258 104.034 1.9423 -4.816841      3.595521 
1 1 1 18 12 24 o 97.851  2.0253 97.251   2.5204  95.238  3.5159 100.463 2.0113 -5.224998      4.050543 
1 1 1 18 12 26 o 92.332  2.0011 87.154   2.3200  88.907  3.5065 95.758  1.9293 -6.851418      4.002240 
1 1 1 18 12 28 o 46.478  4.0560 20.315   1.9616  50.043  7.4987 42.913  3.0943 7.130672       8.112040 
1 1 1 18 12 30 o 73.339  2.2061 54.104   2.0100  73.090  3.8704 73.588  2.1183 -0.4977112     4.412151 
1 1 1 18 12 32 o 38.879  4.2390 16.426   1.7419  35.991  7.9140 41.768  3.0409 -5.776833      8.478095 
1 1 1 18 12 34 o 19.058  5.7549 0.0714   2.7854  18.219  8.1151 19.897  8.1621 -1.677727      11.50973 
1 1 1 18 12 36 o 41.884  6.0597 19.485   3.3475  44.811  6.3129 38.957  10.345 5.853493       12.11937 
1 1 1 18 12 38 o 23.411  6.9265 2.8634   3.8377  23.713  9.2606 23.108  10.303 0.6055412      13.85300 
1 1 1 18 12 40 o 20.876  6.5154 0.7017   3.6638  17.332  7.9635 24.421  10.314 -7.088499      13.03076 
1 1 1 18 12 42 o 18.828  6.1346 -0.6258  3.6843  17.726  8.0759 19.930  9.2364 -2.204317      12.26913 
1 1 1 18 12 44 o 20.539  6.5979 2.4415   4.3261  22.011  9.5335 19.067  9.1237 2.943686       13.19579 
1 1 1 18 13 1  o 202.689 1.9444 414.205  5.4879  193.981 3.0357 211.398 2.4306 -17.41762      3.888855 
1 1 1 18 13 3  o 129.490 1.4811 166.520  2.6938  119.106 2.0843 139.875 2.1050 -20.76929      2.962291 
1 1 1 18 13 5  o 132.468 1.4789 175.242  2.7663  127.981 2.0751 136.955 2.1077 -8.974274      2.957759 
1 1 1 18 13 7  o 83.389  1.6155 69.567   1.9052  83.631  2.2780 83.147  2.2913 0.4846268      3.231050 
1 1 1 18 13 9  o 192.071 1.6049 369.104  4.3586  192.898 2.2447 191.244 2.2943 1.654312       3.209703 
1 1 1 18 13 11 o 184.733 1.8413 341.599  4.7577  184.363 2.8183 185.102 2.3704 -0.7389221     3.682600 
1 1 1 18 13 13 o 260.072 2.0549 674.191  7.2506  263.355 3.3321 256.789 2.4056 6.566559       4.109744 
1 1 1 18 13 15 o 177.432 1.6866 317.641  4.0765  172.616 2.7425 182.249 1.9640 -9.632553      3.373253 
1 1 1 18 13 17 o 146.974 1.7027 220.710  3.2878  139.685 2.8931 154.263 1.7964 -14.57840      3.405459 
1 1 1 18 13 19 o 192.277 1.8391 372.088  4.8617  188.335 2.9428 196.219 2.2067 -7.884140      3.678236 
1 1 1 18 13 21 o 239.687 2.1411 579.708  6.8941  234.731 3.5417 244.643 2.4071 -9.912094      4.282225 
1 1 1 18 13 23 o 115.014 1.9649 135.014  2.9030  110.576 3.3937 119.453 1.9816 -8.876747      3.929848 
1 1 1 18 13 25 o 43.090  4.1139 17.896   1.9699  45.473  7.4907 40.708  3.4037 4.764999       8.227717 
1 1 1 18 13 27 o 38.559  3.9944 13.857   1.8413  43.050  6.9734 34.067  3.8977 8.983089       7.988815 
1 1 1 18 13 29 o 60.421  3.0597 36.338   1.9794  61.185  5.6614 59.658  2.3225 1.527256       6.119320 
1 1 1 18 13 31 o 25.598  5.1151 6.8935   2.0596  21.265  8.2873 29.932  5.9980 -8.667179      10.23012 
1 1 1 18 13 33 o 25.749  6.3278 5.1377   3.2089  30.481  8.5549 21.016  9.3263 9.465328       12.65567 
1 1 1 18 13 35 o 35.024  5.8032 13.565   2.8762  41.416  7.6762 28.632  8.7054 12.78415       11.60636 
1 1 1 18 13 37 o 34.144  6.9434 13.477   3.4264  33.162  8.6247 35.126  10.884 -1.964550      13.88679 
1 1 1 18 13 39 o 48.652  5.8462 26.983   3.8570  46.972  7.2516 50.331  9.1720 -3.359482      11.69233 
1 1 1 18 13 41 o 18.469  5.8550 0.1330   3.1083  18.865  8.7157 18.074  7.8205 0.7908649      11.70993 
1 1 1 18 13 43 o 23.488  6.9722 7.8929   3.9545  21.821  9.5287 25.154  10.181 -3.332458      13.94441 
1 1 1 18 14 0  o 544.812 5.8615 2973.33  63.852  544.812 5.8615 ?       ?      0.000000       0.000000 
1 1 1 18 14 2  o 540.447 3.4186 2925.15  26.093  536.802 4.6999 544.092 4.9658 -7.289978      6.837269 
1 1 1 18 14 4  o 371.214 2.6479 1378.30  13.827  368.333 3.5266 374.095 3.9507 -5.761078      5.295792 
1 1 1 18 14 6  o 291.447 2.1155 850.187  8.7172  293.499 2.9506 289.396 3.0323 4.103363       4.230903 
1 1 1 18 14 8  o 147.121 1.4568 216.512  3.0307  148.631 2.0587 145.611 2.0617 3.020493       2.913543 
1 1 1 18 14 10 o 137.214 1.4580 188.380  2.8289  138.497 2.0426 135.930 2.0811 2.566544       2.916012 
1 1 1 18 14 12 o 114.857 1.5284 131.848  2.4771  113.126 2.0924 116.588 2.2283 -3.461609      3.056703 
1 1 1 18 14 14 o 105.718 1.7988 112.575  2.5351  103.956 2.9989 107.481 1.9874 -3.525787      3.597682 
1 1 1 18 14 16 o 210.690 1.9602 442.187  5.4070  212.978 3.3071 208.402 2.1054 4.575882       3.920373 
1 1 1 18 14 18 o 254.401 2.0466 647.797  7.0910  254.656 3.3099 254.146 2.4079 0.5097656      4.093123 
1 1 1 18 14 20 f 209.671 1.8215 441.743  5.1702  207.386 2.9787 211.956 2.0973 -4.569611      3.642971 
1 1 1 18 14 22 o 214.604 1.8489 461.438  5.4070  214.399 2.9889 214.808 2.1770 -0.4084778     3.697709 
1 1 1 18 14 24 o 142.631 1.8650 205.798  3.5458  139.040 3.1142 146.222 2.0531 -7.182648      3.730043 
1 1 1 18 14 26 o 69.379  2.7392 49.111   2.2323  67.704  4.9458 71.054  2.3563 -3.350113      5.478390 
1 1 1 18 14 28 o 93.199  2.4673 86.474   2.5226  94.164  4.5370 92.233  1.9404 1.930756       4.934501 
1 1 1 18 14 30 o 50.002  3.2959 24.727   2.2580  54.150  5.1175 45.853  4.1550 8.297737       6.591867 
1 1 1 18 14 32 f 44.969  5.6392 21.802   3.2685  48.027  5.7700 41.911  9.6908 6.115925       11.27850 
1 1 1 18 14 34 o 29.687  6.7514 9.5073   3.1299  28.475  8.6033 30.898  10.407 -2.423649      13.50289 
1 1 1 18 14 36 f 25.958  6.6493 6.4911   3.2290  27.909  8.8568 24.007  9.9202 3.901190       13.29861 
1 1 1 18 14 38 o 26.243  6.9447 6.2846   3.8301  29.862  9.3827 22.624  10.241 7.237110       13.88943 
1 1 1 18 14 40 o 19.091  6.2043 -1.4489  3.8351  19.022  8.5530 19.161  8.9899 -0.1398144     12.40860 
1 1 1 18 14 42 o 27.893  6.7077 10.923   3.2006  29.928  8.0983 25.858  10.695 4.070177       13.41533 
1 1 1 18 15 1  o 123.758 1.8837 156.074  3.1456  130.742 2.1196 116.774 3.1147 13.96796       3.767452 
1 1 1 18 15 3  o 373.584 2.4530 1396.11  12.946  379.025 3.5338 368.142 3.4030 10.88303       4.905916 
1 1 1 18 15 5  o 329.632 2.2913 1087.60  10.678  328.954 3.1941 330.309 3.2859 -1.355255      4.582553 
1 1 1 18 15 7  o 256.613 1.8851 659.008  6.8412  256.310 2.6579 256.916 2.6741 -0.6057739     3.770286 
1 1 1 18 15 9  o 130.525 1.5040 170.625  2.7663  131.833 2.0144 129.217 2.2339 2.615967       3.008059 
1 1 1 18 15 11 o 90.664  1.7113 82.269   2.1938  89.740  2.4446 91.587  2.3954 -1.846649      3.422571 
1 1 1 18 15 13 o 75.118  1.6408 56.743   1.7300  71.811  2.4922 78.424  2.1348 -6.613297      3.281587 
1 1 1 18 15 15 o 136.714 1.8427 189.736  3.1860  133.072 3.2104 140.357 1.8098 -7.285507      3.685430 
1 1 1 18 15 17 o 44.872  3.8206 21.150   2.0244  41.731  6.9172 48.014  3.2465 -6.283070      7.641208 
1 1 1 18 15 19 o 69.169  2.5373 50.366   2.2169  62.171  4.4573 76.167  2.4255 -13.99659      5.074516 
1 1 1 18 15 21 f 144.066 1.9401 206.066  3.5421  146.418 3.3515 141.714 1.9555 4.704208       3.880273 
1 1 1 18 15 23 o 140.626 1.8229 198.024  3.3087  140.727 3.1179 140.524 1.8898 0.2025604      3.645888 
1 1 1 18 15 25 o 147.432 1.9653 219.880  3.6507  144.860 3.4274 150.005 1.9244 -5.144196      3.930693 
1 1 1 18 15 27 o 68.978  2.6809 48.996   2.0617  66.748  4.9301 71.207  2.1080 -4.459480      5.361860 
1 1 1 18 15 29 f 16.466  4.8459 -0.6819  1.8257  15.994  7.7163 16.938  5.8642 -0.9443827     9.691740 
1 1 1 18 15 31 o 30.429  6.7357 9.3911   3.4658  35.115  8.6048 25.742  10.365 9.372978       13.47145 
1 1 1 18 15 33 o 18.354  5.7956 -2.5339  3.1658  19.917  8.5067 16.791  7.8735 3.125586       11.59119 
1 1 1 18 15 35 o 24.753  6.1037 5.5697   2.9015  29.474  8.6480 20.031  8.6157 9.442629       12.20735 
1 1 1 18 15 37 o 23.732  6.7189 4.7038   3.3617  23.600  8.7846 23.864  10.169 -0.2640762     13.43777 
1 1 1 18 15 39 o 22.199  6.4519 3.0506   3.3475  15.999  7.4441 28.398  10.540 -12.39971      12.90376 
1 1 1 18 15 41 o 18.582  6.0048 -0.7056  3.5922  19.430  8.5632 17.733  8.4205 1.697821       12.00968 
1 1 1 18 16 0  o 26.685  7.2701 8.5444   3.3485  26.685  7.2701 ?       ?      0.000000       0.000000 
1 1 1 18 16 2  o 235.396 2.1075 550.997  6.9279  227.035 2.7463 243.757 3.1974 -16.72208      4.214918 
1 1 1 18 16 4  o 175.696 1.5922 308.977  3.9545  173.675 2.2937 177.718 2.2090 -4.043274      3.184434 
1 1 1 18 16 6  o 275.923 2.0421 762.249  7.9654  275.082 2.9382 276.764 2.8369 -1.682709      4.084278 
1 1 1 18 16 8  o 179.265 1.5945 321.627  4.0413  181.664 2.2246 176.866 2.2849 4.798538       3.188989 
1 1 1 18 16 10 o 115.139 1.6320 132.714  2.6544  116.043 2.2388 114.234 2.3753 1.808540       3.264082 
1 1 1 18 16 12 o 370.654 2.5223 1376.44  13.218  369.986 3.5265 371.322 3.6071 -1.336273      5.044517 
1 1 1 18 16 14 o 226.188 1.9070 512.735  6.0873  230.099 2.5843 222.277 2.8051 7.821960       3.814071 
1 1 1 18 16 16 o 97.969  1.9837 98.392   2.5123  92.963  3.4156 102.974 2.0183 -10.01055      3.967386 
1 1 1 18 16 18 o 78.120  2.2611 64.955   2.1485  69.774  4.0543 86.465  2.0031 -16.69077      4.522157 
1 1 1 18 16 20 o 35.170  4.8274 13.450   1.9371  31.966  8.8920 38.374  3.7611 -6.408686      9.654765 
1 1 1 18 16 22 o 166.256 1.8812 277.826  4.2577  164.574 3.0519 167.938 2.2001 -3.364395      3.762306 
1 1 1 18 16 24 f 115.431 2.1777 136.219  3.0608  111.715 3.8759 119.147 1.9866 -7.431755      4.355341 
1 1 1 18 16 26 o 77.270  2.9035 59.777   2.4451  77.663  5.3522 76.877  2.2529 0.7865601      5.807060 
1 1 1 18 16 28 o 136.998 2.0373 186.675  3.4604  139.211 3.5665 134.786 1.9703 4.425247       4.074571 
1 1 1 18 16 30 o 103.919 2.8623 108.870  4.1281  103.043 3.5858 104.795 4.4624 -1.751732      5.724539 
1 1 1 18 16 32 o 46.170  5.6770 23.053   3.3437  48.075  5.7642 44.266  9.7820 3.808640       11.35401 
1 1 1 18 16 34 o 87.871  3.2780 78.859   4.0110  84.891  4.2165 90.852  5.0201 -5.960800      6.555923 
1 1 1 18 16 36 o 85.948  3.9991 78.825   4.3747  88.769  3.9672 83.128  6.9450 5.641083       7.998240 
1 1 1 18 16 38 o 51.812  5.5380 32.458   3.7812  61.080  6.1437 42.544  9.2160 18.53596       11.07608 
1 1 1 18 16 40 o 15.051  5.0950 -5.6440  3.1440  14.165  6.9169 15.937  7.4827 -1.772595      10.18992 
1 1 1 18 16 42 o 20.263  6.5284 2.1906   4.1439  20.508  9.2032 20.019  9.2618 0.4888172      13.05674 
1 1 1 18 17 1  o 174.957 1.6920 306.318  4.1838  175.086 2.4400 174.828 2.3446 0.2585754      3.383924 
1 1 1 18 17 3  o 169.712 1.8914 285.446  4.4347  163.152 2.3708 176.272 2.9477 -13.11963      3.782805 
1 1 1 18 17 5  o 66.736  1.9261 44.487   1.8144  64.533  2.6838 68.939  2.7635 -4.406036      3.852298 
1 1 1 18 17 7  o 179.841 1.5709 323.376  3.9534  180.697 2.3962 178.984 2.0321 1.713104       3.141866 
1 1 1 18 17 9  o 154.922 1.5963 239.825  3.4735  153.198 2.1103 156.646 2.3956 -3.447952      3.192555 
1 1 1 18 17 11 o 185.737 1.5608 345.148  4.0957  186.603 2.2585 184.870 2.1548 1.733063       3.121522 
1 1 1 18 17 13 o 153.874 1.5919 236.899  3.4630  150.950 2.2565 156.799 2.2460 -5.848877      3.183754 
1 1 1 18 17 15 o 202.843 1.7711 411.714  5.0778  198.109 2.5062 207.576 2.5031 -9.467072      3.542123 
1 1 1 18 17 17 o 149.531 1.5617 225.447  3.2310  144.747 2.4729 154.314 1.9080 -9.566833      3.123395 
1 1 1 18 17 19 o 53.096  3.8176 29.751   2.3093  49.505  6.9972 56.688  3.0553 -7.183037      7.635109 
1 1 1 18 17 21 o 44.155  4.4320 19.520   2.1610  45.140  8.0952 43.170  3.6108 1.970009       8.863949 
1 1 1 18 17 23 o 85.333  2.2946 73.722   2.4750  83.841  3.9938 86.825  2.2607 -2.984055      4.589289 
1 1 1 18 17 25 o 99.174  2.4874 100.541  2.9122  96.571  4.4836 101.777 2.1555 -5.205872      4.974871 
1 1 1 18 17 27 f 64.081  3.3962 41.452   2.3093  64.079  6.3067 64.083  2.5225 -0.4112244E-02 6.792492 
1 1 1 18 17 29 o 70.015  2.7194 49.492   2.4132  69.813  4.7137 70.218  2.7132 -0.4057083     5.438771 
1 1 1 18 17 31 o 22.661  6.6740 1.8587   3.5109  20.045  8.6592 25.278  10.158 -5.232916      13.34791 
1 1 1 18 17 33 o 26.123  7.1248 6.1178   3.6054  24.216  9.1802 28.031  10.898 -3.815731      14.24959 
1 1 1 18 17 35 o 31.495  5.7213 11.360   2.8575  22.394  8.7418 40.597  7.3833 -18.20272      11.44255 
1 1 1 18 17 37 o 19.018  6.2134 -1.8396  3.6625  15.998  7.5059 22.038  9.9040 -6.040654      12.42685 
1 1 1 18 17 39 o 16.552  5.6631 -6.1727  3.7838  14.588  7.0749 18.517  8.8447 -3.928635      11.32623 
1 1 1 18 17 41 o 22.025  6.7735 5.7656   3.8570  19.091  8.5697 24.960  10.492 -5.869020      13.54698 
1 1 1 18 18 0  o 107.722 2.4682 116.273  5.3114  107.722 2.4682 ?       ?      0.000000       0.000000 
1 1 1 18 18 2  o 95.931  1.8714 91.701   2.5284  101.491 2.6736 90.371  2.6192 11.12037       3.742765 
1 1 1 18 18 4  o 68.074  2.4556 46.739   2.3207  70.332  3.0372 65.816  3.8596 4.515633       4.911267 
1 1 1 18 18 6  o 121.870 1.6764 148.519  2.8762  122.835 2.4910 120.906 2.2442 1.929771       3.352857 
1 1 1 18 18 8  o 131.145 1.7196 172.609  3.1658  133.902 2.2420 128.387 2.6081 5.515152       3.439295 
1 1 1 18 18 10 o 45.711  2.7850 21.020   1.7823  46.792  3.5780 44.631  4.2687 2.161064       5.569951 
1 1 1 18 18 12 o 46.034  3.4409 21.638   2.1615  37.890  5.4853 54.179  4.1558 -16.28907      6.881822 
1 1 1 18 18 14 o 183.661 1.6783 337.686  4.3586  183.267 2.3941 184.055 2.3525 -0.7884674     3.356513 
1 1 1 18 18 16 o 162.980 1.7179 265.757  3.9376  164.240 2.5660 161.720 2.2847 2.519165       3.435776 
1 1 1 18 18 18 o 181.285 1.8831 330.989  4.5961  178.598 3.1032 183.971 2.1339 -5.373383      3.766113 
1 1 1 18 18 20 o 120.518 2.0022 147.540  3.0470  117.413 3.4911 123.623 1.9614 -6.210030      4.004351 
1 1 1 18 18 22 o 80.328  2.5198 63.702   2.5831  82.891  4.3182 77.765  2.5984 5.126045       5.039671 
1 1 1 18 18 24 o 43.767  4.5428 20.534   2.1273  41.064  8.4438 46.470  3.3544 -5.405563      9.085639 
1 1 1 18 18 26 o 32.560  5.5500 10.670   2.2043  35.479  9.5507 29.641  5.6564 5.838388       11.10002 
1 1 1 18 18 28 o 84.167  2.2843 69.586   2.3220  87.181  4.0395 81.153  2.1342 6.028595       4.568618 
1 1 1 18 18 30 o 47.506  5.3074 23.787   3.4735  43.291  7.7482 51.721  7.2554 -8.430355      10.61487 
1 1 1 18 18 32 o 42.428  6.0626 20.059   3.4072  44.029  6.5562 40.828  10.200 3.200996       12.12521 
1 1 1 18 18 34 o 38.270  6.1925 17.202   3.2745  40.653  7.8051 35.887  9.6162 4.766239       12.38506 
1 1 1 18 18 36 o 33.128  7.0152 13.617   3.3969  27.377  8.8739 38.880  10.868 -11.50320      14.03048 
1 1 1 18 18 38 o 25.241  7.0372 8.3242   3.6734  24.799  9.4854 25.682  10.398 -0.8832531     14.07436 
1 1 1 18 18 40 o 21.557  6.5830 5.7923   3.6603  20.787  9.0513 22.327  9.5614 -1.540451      13.16609 
1 1 1 18 19 1  o 124.827 1.6442 156.512  2.8866  117.265 2.4616 132.389 2.1804 -15.12374      3.288431 
1 1 1 18 19 3  o 182.193 1.8593 329.490  4.7222  174.484 2.4154 189.902 2.8273 -15.41835      3.718556 
1 1 1 18 19 5  o 206.967 1.8053 427.721  5.2558  202.797 2.4198 211.137 2.6797 -8.339371      3.610537 
1 1 1 18 19 7  o 186.011 1.8383 346.713  4.7997  187.328 2.4039 184.694 2.7820 2.633606       3.676691 
1 1 1 18 19 9  o 105.516 1.7988 111.353  2.6818  108.247 2.5600 102.784 2.5276 5.463593       3.597554 
1 1 1 18 19 11 o 30.883  4.1124 9.8376   1.7146  29.457  5.4962 32.310  6.1188 -2.853367      8.224857 
1 1 1 18 19 13 o 92.016  1.8472 84.917   2.3872  92.997  2.4211 91.035  2.7904 1.961929       3.694321 
1 1 1 18 19 15 o 115.672 1.6756 133.659  2.7347  119.855 2.4084 111.488 2.3303 8.367218       3.351201 
1 1 1 18 19 17 o 101.221 1.7360 102.706  2.4825  103.873 2.3899 98.568  2.5185 5.304359       3.472007 
1 1 1 18 19 19 o 33.521  5.2223 13.004   2.5980  22.484  9.3451 44.557  4.6645 -22.07288      10.44450 
1 1 1 18 19 21 o 133.412 2.0179 181.317  3.5003  128.787 3.4517 138.038 2.0912 -9.251053      4.035779 
1 1 1 18 19 23 o 18.598  5.7515 -0.0794  2.3815  22.179  9.5318 15.018  6.4392 7.161397       11.50297 
1 1 1 18 19 25 o 112.918 2.1272 128.131  2.8990  112.860 3.7854 112.975 1.9419 -0.1158066     4.254422 
1 1 1 18 19 27 o 62.633  2.9435 38.594   2.3664  65.812  5.0002 59.455  3.1073 6.356842       5.887082 
1 1 1 18 19 29 o 34.517  7.0466 12.712   4.1180  43.246  9.3429 25.788  10.551 17.45804       14.09314 
1 1 1 18 19 31 o 28.098  7.3880 7.7769   3.7348  25.777  9.2767 30.418  11.501 -4.641237      14.77598 
1 1 1 18 19 33 o 37.187  6.1697 15.817   3.1290  33.483  8.1657 40.891  9.2509 -7.408241      12.33934 
1 1 1 18 19 35 o 24.141  6.9687 5.4416   3.7035  23.820  9.2019 24.463  10.468 -0.6429005     13.93740 
1 1 1 18 19 37 o 28.686  6.4818 10.460   3.6430  36.356  8.8130 21.016  9.5070 15.33991       12.96350 
1 1 1 18 19 39 o 18.072  5.8469 -5.8983  4.0765  22.504  9.4351 13.640  6.9083 8.864269       11.69388 
1 1 1 18 20 0  o 160.192 2.3798 256.909  7.6207  160.192 2.3798 ?       ?      0.000000       0.000000 
1 1 1 18 20 2  o 217.502 2.1870 474.225  6.6472  216.516 3.3597 218.489 2.8009 -1.972839      4.374071 
1 1 1 18 20 4  o 105.396 1.8241 111.366  2.7134  101.535 2.6724 109.258 2.4835 -7.723450      3.648213 
1 1 1 18 20 6  o 84.444  2.1144 71.719   2.5084  87.696  2.7649 81.192  3.1998 6.504417       4.228886 
1 1 1 18 20 8  o 101.502 1.7926 103.251  2.5662  102.729 2.4165 100.275 2.6484 2.454056       3.585194 
1 1 1 18 20 10 o 127.995 1.8351 164.114  3.3194  131.421 2.5479 124.569 2.6417 6.852638       3.670203 
1 1 1 18 20 12 o 163.648 1.7373 268.575  4.0072  166.144 2.3281 161.152 2.5794 4.992325       3.474680 
1 1 1 18 20 14 f 101.398 1.9136 103.049  2.7420  104.243 2.6584 98.553  2.7532 5.689186       3.827175 
1 1 1 18 20 16 o 196.999 1.8761 388.917  5.2246  200.836 2.6159 193.162 2.6899 7.673859       3.752140 
1 1 1 18 20 18 o 105.086 1.8299 110.849  2.7122  107.728 2.4652 102.445 2.7050 5.283340       3.659817 
1 1 1 18 20 20 o 24.985  5.8302 4.3941   2.8770  19.585  8.9653 30.386  7.4558 -10.80126      11.66042 
1 1 1 18 20 22 o 85.896  2.5049 75.352   2.6603  83.570  4.4213 88.221  2.3559 -4.651077      5.009771 
1 1 1 18 20 24 o 88.004  2.9053 81.565   2.7340  83.209  5.4118 92.800  2.1152 -9.591110      5.810503 
1 1 1 18 20 26 o 49.819  3.9679 25.937   2.3465  47.634  7.1507 52.003  3.4416 -4.368408      7.935822 
1 1 1 18 20 28 f 21.631  4.9438 3.1740   2.0666  17.168  8.0872 26.094  5.6889 -8.926014      9.887679 
1 1 1 18 20 30 o 72.715  4.1722 54.952   4.0365  72.183  4.6389 73.247  6.9360 -1.064156      8.344318 
1 1 1 18 20 32 o 46.608  5.5623 24.527   3.3677  49.184  5.8690 44.031  9.4505 5.152546       11.12463 
1 1 1 18 20 34 o 21.435  6.2672 1.2701   3.4868  26.086  9.6671 16.783  7.9785 9.302862       12.53438 
1 1 1 18 20 36 o 22.559  6.6663 5.0466   3.4977  21.495  8.8954 23.624  9.9313 -2.129112      13.33260 
1 1 1 18 20 38 o 20.145  6.3786 3.1897   3.5181  17.803  7.9430 22.487  9.9827 -4.683764      12.75720 
1 1 1 18 21 1  f 244.698 2.2546 599.792  7.6868  244.981 3.4878 244.416 2.8581 0.5646973      4.509238 
1 1 1 18 21 3  o 202.689 1.8265 411.699  5.2119  204.184 2.4316 201.195 2.7260 2.989105       3.652924 
1 1 1 18 21 5  f 191.115 1.7777 366.501  4.7890  196.317 2.3820 185.913 2.6395 10.40425       3.555441 
1 1 1 18 21 7  o 161.950 1.9576 263.037  4.4651  163.604 2.6113 160.297 2.9173 3.307022       3.915291 
1 1 1 18 21 9  f 133.945 1.6502 179.646  3.1004  133.872 2.1562 134.017 2.4985 -0.1447296     3.300325 
1 1 1 18 21 11 o 75.608  2.2185 57.376   2.3614  76.267  2.9522 74.949  3.3122 1.318390       4.436929 
1 1 1 18 21 13 o 114.295 1.6996 130.161  2.7055  111.387 2.1769 117.203 2.6107 -5.815704      3.399185 
1 1 1 18 21 15 o 166.768 1.9215 278.612  4.5303  168.630 2.7389 164.905 2.6957 3.725433       3.842973 
1 1 1 18 21 17 o 148.891 1.7561 221.898  3.6804  150.557 2.6075 147.225 2.3528 3.331650       3.512115 
1 1 1 18 21 19 o 115.100 1.8446 132.900  3.0021  116.304 2.5812 113.897 2.6358 2.407600       3.689196 
1 1 1 18 21 21 o 101.046 2.6397 103.812  3.5239  98.701  4.4454 103.392 2.8478 -4.691322      5.279346 
1 1 1 18 21 23 o 76.023  2.9034 61.226   2.7203  69.281  5.1665 82.765  2.6507 -13.48395      5.806797 
1 1 1 18 21 25 o 19.826  5.8269 1.5993   2.3584  22.067  9.4316 17.585  6.8451 4.482025       11.65383 
1 1 1 18 21 27 o 25.926  6.2491 6.6648   2.5140  27.519  10.163 24.333  7.2738 3.185867       12.49819 
1 1 1 18 21 29 o 29.011  4.8647 8.7586   1.8709  34.111  7.4818 23.910  6.2198 10.20152       9.729487 
1 1 1 18 21 31 o 32.301  7.4199 12.628   3.8351  31.778  9.7722 32.823  11.168 -1.045837      14.83979 
1 1 1 18 21 33 o 27.388  7.1546 8.8679   3.7823  29.464  9.4939 25.311  10.706 4.152534       14.30923 
1 1 1 18 21 35 o 26.847  7.1942 9.7369   3.7319  26.746  9.6966 26.948  10.630 -0.2016239     14.38841 
1 1 1 18 21 37 o 25.838  6.4002 7.3444   3.9415  34.192  9.5813 17.483  8.4883 16.70923       12.80048 
1 1 1 18 22 0  o 64.589  4.6977 42.491   6.0042  64.589  4.6977 ?       ?      0.000000       0.000000 
1 1 1 18 22 2  o 87.272  2.0117 76.282   2.4811  89.682  2.8325 84.861  2.8573 4.820694       4.023332 
1 1 1 18 22 4  o 19.360  5.4887 1.7782   2.3035  19.987  7.7196 18.734  7.8045 1.252562       10.97735 
1 1 1 18 22 6  o 126.915 2.0874 161.028  3.6591  125.613 2.5738 128.218 3.2870 -2.605194      4.174738 
1 1 1 18 22 8  o 215.105 2.1322 463.514  6.4145  214.055 2.7510 216.156 3.2585 -2.100159      4.264463 
1 1 1 18 22 10 o 14.503  4.7688 -4.3341  2.3614  13.230  6.2838 15.776  7.1749 -2.545690      9.537567 
1 1 1 18 22 12 o 87.597  2.1503 77.080   2.6507  89.222  2.8471 85.972  3.2233 3.249092       4.300652 
1 1 1 18 22 14 o 110.113 1.9938 121.769  3.0668  111.134 2.5455 109.093 3.0694 2.041512       3.987546 
1 1 1 18 22 16 o 42.616  3.5952 18.328   2.1553  42.105  4.7991 43.128  5.3545 -1.023056      7.190429 
1 1 1 18 22 18 o 69.989  2.4161 48.241   2.3176  64.949  3.0222 75.029  3.7704 -10.08062      4.832137 
1 1 1 18 22 20 o 19.892  4.8820 0.2685   2.2963  27.141  7.5816 12.642  6.1525 14.49966       9.763925 
1 1 1 18 22 22 o 45.653  5.7482 22.849   2.9891  42.280  10.539 49.027  4.5925 -6.747829      11.49644 
1 1 1 18 22 24 o 48.687  5.8433 24.507   2.8580  49.266  10.951 48.108  4.0802 1.158218       11.68651 
1 1 1 18 22 26 o 42.002  5.8473 21.475   2.5899  34.546  11.082 49.457  3.7354 -14.91062      11.69460 
1 1 1 18 22 28 o 36.609  6.1084 15.547   2.2860  32.957  11.634 40.262  3.7282 -7.304768      12.21674 
1 1 1 18 22 30 o 26.332  7.1361 7.0550   3.6430  24.707  9.3561 27.956  10.778 -3.248671      14.27222 
1 1 1 18 22 32 o 27.462  7.0998 9.4598   3.6041  27.963  9.6632 26.961  10.405 1.002136       14.19968 
1 1 1 18 22 34 o 25.907  6.6577 7.4913   3.6062  18.874  8.5738 32.940  10.188 -14.06605      13.31534 
1 1 1 18 22 36 o 26.235  7.1136 10.603   4.0017  29.477  9.8399 22.993  10.276 6.484186       14.22724 
1 1 1 18 23 1  o 128.652 2.0606 165.105  3.7304  122.798 2.8208 134.507 3.0045 -11.70823      4.121184 
1 1 1 18 23 3  o 195.522 2.0177 380.961  5.4070  191.695 2.4395 199.348 3.2146 -7.653473      4.035430 
1 1 1 18 23 5  o 99.222  1.9540 98.569   2.7396  96.785  2.7439 101.659 2.7827 -4.873970      3.908019 
1 1 1 18 23 7  o 36.767  4.6537 13.875   2.3614  33.832  6.8942 39.702  6.2528 -5.870049      9.307372 
1 1 1 18 23 9  f 32.828  5.4375 11.367   2.4489  32.850  8.4017 32.805  6.9049 0.4566956E-01  10.87503 
1 1 1 18 23 11 o 81.702  2.5107 67.258   2.8866  86.401  3.3409 77.003  3.7487 9.398033       5.021416 
1 1 1 18 23 13 o 20.407  5.4944 3.0264   2.1391  18.714  7.1219 22.101  8.3686 -3.386990      10.98882 
1 1 1 18 23 15 o 78.684  2.2312 62.066   2.4771  74.812  3.1640 82.555  3.1469 -7.743317      4.462488 
1 1 1 18 23 17 o 65.077  2.7599 42.690   2.5389  64.025  3.8774 66.129  3.9286 -2.103981      5.519757 
1 1 1 18 23 19 o 15.646  5.0270 -3.2495  2.3753  12.269  5.8866 19.023  8.1506 -6.754851      10.05405 
1 1 1 18 23 21 o 20.739  4.7200 2.1741   2.1194  27.318  6.6128 14.160  6.7368 13.15836       9.440038 
1 1 1 18 23 23 o 40.702  5.9154 17.640   3.2471  46.713  8.4685 34.691  8.2614 12.02183       11.83077 
1 1 1 18 23 25 o 36.148  5.8823 15.235   2.6128  30.708  10.836 41.588  4.5811 -10.88002      11.76466 
1 1 1 18 23 27 o 40.107  5.6294 18.290   2.4808  36.792  10.477 43.422  4.1217 -6.629547      11.25887 
1 1 1 18 23 29 o 16.823  5.2290 0.3895   1.9699  19.239  8.6046 14.407  5.9439 4.831597       10.45796 
1 1 1 18 23 31 o 49.802  6.0590 29.852   4.0597  48.018  7.3341 51.586  9.6465 -3.568302      12.11790 
1 1 1 18 23 33 f 25.693  6.9038 7.5567   3.7091  19.001  8.5140 32.384  10.870 -13.38304      13.80750 
1 1 1 18 23 35 o 25.982  6.5777 9.4515   3.7580  31.622  9.0383 20.341  9.5590 11.28101       13.15543 
1 1 1 18 24 0  o 195.873 2.6538 384.266  10.392  195.873 2.6538 ?       ?      0.000000       0.000000 
1 1 1 18 24 2  o 127.100 2.7576 161.094  4.1298  125.938 2.4296 128.261 4.9513 -2.322586      5.515265 
1 1 1 18 24 4  o 45.433  3.9555 20.828   2.5350  45.136  5.3722 45.731  5.8072 -0.5957031     7.910958 
1 1 1 18 24 6  o 38.000  4.5789 15.051   2.3614  35.008  7.3276 40.991  5.4928 -5.982918      9.157745 
1 1 1 18 24 8  o 28.872  5.7835 8.7408   2.5110  25.962  8.4975 31.782  7.8476 -5.819485      11.56691 
1 1 1 18 24 10 o 122.298 2.1010 149.416  3.5249  124.237 3.3458 120.359 2.5422 3.877403       4.202071 
1 1 1 18 24 12 o 167.617 1.8636 281.624  4.4073  165.800 2.5419 169.435 2.7259 -3.635391      3.727148 
1 1 1 18 24 14 o 96.654  2.0710 93.394   2.7994  93.982  2.7029 99.326  3.1387 -5.343864      4.142087 
1 1 1 18 24 16 o 107.256 1.9397 115.061  2.9262  103.178 2.6298 111.334 2.8520 -8.155769      3.879445 
1 1 1 18 24 18 o 123.768 1.9793 153.972  3.4639  122.578 2.8259 124.957 2.7721 -2.378922      3.958559 
1 1 1 18 24 20 o 123.926 2.0269 154.131  3.5315  121.674 2.7045 126.178 3.0198 -4.503784      4.053863 
1 1 1 18 24 22 o 42.607  3.7563 18.679   2.2382  43.169  4.8144 42.045  5.7671 1.124622       7.512512 
1 1 1 18 24 24 o 21.660  6.5500 1.0410   3.4476  22.340  9.9750 20.981  8.4917 1.358297       13.09998 
1 1 1 18 24 26 o 44.936  5.8084 23.299   2.5797  40.998  11.024 48.874  3.6619 -7.876034      11.61672 
1 1 1 18 24 28 o 52.458  5.9720 32.845   2.7490  46.937  11.511 57.980  3.1864 -11.04290      11.94408 
1 1 1 18 24 30 o 58.522  4.2437 38.030   3.4639  58.959  5.3856 58.086  6.5599 0.8734283      8.487398 
1 1 1 18 24 32 o 22.864  6.9272 4.9824   4.0808  23.705  9.5353 22.022  10.051 1.683277       13.85443 
1 1 1 18 24 34 o 21.792  6.6434 4.9182   4.0194  23.860  9.3389 19.724  9.4510 4.135025       13.28675 
1 1 1 18 25 1  o 88.740  2.2308 78.997   2.7973  86.994  3.1191 90.485  3.1901 -3.491173      4.461577 
1 1 1 18 25 3  o 56.716  4.0994 34.841   2.9621  66.716  3.9806 46.716  7.1677 19.99989       8.198794 
1 1 1 18 25 5  f 147.048 1.9743 217.250  4.0110  147.930 2.4197 146.165 3.1203 1.765350       3.948578 
1 1 1 18 25 7  o 123.715 1.9815 153.376  3.4485  122.228 2.6451 125.202 2.9511 -2.974236      3.963024 
1 1 1 18 25 9  o 117.114 1.8027 138.527  2.9036  120.189 2.1615 114.039 2.8856 6.150490       3.605433 
1 1 1 18 25 11 o 107.251 2.0558 115.532  3.1165  109.906 2.8891 104.595 2.9254 5.310455       4.111524 
1 1 1 18 25 13 o 110.728 2.3205 124.212  3.5198  113.350 2.7504 108.105 3.7383 5.244240       4.641028 
1 1 1 18 25 15 o 106.289 1.8882 113.492  2.8100  106.275 2.4445 106.304 2.8784 -0.2822113E-01 3.776351 
1 1 1 18 25 17 o 43.939  3.7428 19.744   2.3093  46.961  4.9175 40.917  5.6439 6.044056       7.485645 
1 1 1 18 25 19 o 72.222  2.6561 52.679   2.7085  70.818  3.6685 73.627  3.8422 -2.808670      5.312292 
1 1 1 18 25 21 o 21.800  5.7303 4.1074   2.3445  19.940  7.6378 23.660  8.5447 -3.720497      11.46067 
1 1 1 18 25 23 o 65.678  3.0189 44.769   2.7055  69.066  3.5108 62.291  4.9121 6.775024       6.037782 
1 1 1 18 25 25 o 85.217  3.8071 75.860   3.8488  84.485  6.8334 85.950  3.3585 -1.464592      7.614146 
1 1 1 18 25 27 o 42.511  6.1539 23.137   2.6756  34.979  11.741 50.043  3.6917 -15.06430      12.30773 
1 1 1 18 25 29 o 22.182  5.3310 5.6530   2.0594  20.235  8.0376 24.130  7.0054 -3.894136      10.66201 
1 1 1 18 25 31 o 34.662  7.6917 18.458   4.1381  35.309  9.5713 34.016  12.043 1.292629       15.38336 
1 1 1 18 25 33 o 16.823  5.5692 -1.5402  3.3073  18.488  8.4491 15.159  7.2578 3.329151       11.13840 
1 1 1 18 26 0  o 12.238  8.2050 -1.5010  5.4268  12.238  8.2050 ?       ?      0.000000       0.000000 
1 1 1 18 26 2  o 103.439 2.1292 106.961  3.1004  108.789 3.0780 98.089  2.9429 10.70006       4.258440 
1 1 1 18 26 4  o 91.374  2.6962 84.800   3.3084  93.510  3.0252 89.237  4.4640 4.273064       5.392482 
1 1 1 18 26 6  o 67.198  3.0135 46.356   2.7973  74.091  3.6623 60.305  4.7867 13.78658       6.026996 
1 1 1 18 26 8  o 105.421 2.1690 111.712  3.2289  104.676 2.9783 106.166 3.1540 -1.490868      4.337952 
1 1 1 18 26 10 f 137.819 1.9854 190.963  3.8672  138.855 2.7441 136.782 2.8701 2.073624       3.970851 
1 1 1 18 26 12 o 150.607 2.0058 227.969  4.2714  152.398 2.8412 148.816 2.8320 3.582016       4.011557 
1 1 1 18 26 14 o 70.649  3.2578 50.990   3.1602  72.923  3.8793 68.374  5.2350 4.549286       6.515697 
1 1 1 18 26 16 o 94.547  2.1804 90.046   2.9152  95.395  3.0865 93.699  3.0807 1.695831       4.360881 
1 1 1 18 26 18 o 60.185  3.0169 36.812   2.5610  58.234  4.1638 62.135  4.3670 -3.900692      6.033871 
1 1 1 18 26 20 o 22.444  5.6903 4.7644   2.3078  20.898  7.8888 23.990  8.2027 -3.092056      11.38062 
1 1 1 18 26 22 o 15.912  5.1073 -2.1259  2.3962  13.523  6.3015 18.301  8.0392 -4.778059      10.21457 
1 1 1 18 26 24 o 22.438  5.6798 4.9236   2.3207  18.950  7.5386 25.926  8.4975 -6.975916      11.35954 
1 1 1 18 26 26 o 15.348  5.2523 -4.3011  2.5114  17.960  8.7432 12.736  5.8227 5.223534       10.50468 
1 1 1 18 26 28 o 21.310  5.7485 4.8047   2.3962  21.207  8.5811 21.414  7.6516 -0.2065411     11.49702 
1 1 1 18 26 30 o 17.291  5.5841 -1.2427  2.7071  22.389  9.4955 12.193  5.8790 10.19534       11.16814 
1 1 1 18 26 32 o 21.669  6.8684 4.8717   4.0971  20.039  8.7375 23.299  10.600 -3.260115      13.73670 
1 1 1 18 27 1  o 60.177  3.2062 36.774   2.7122  64.717  4.2819 55.637  4.7733 9.080696       6.412415 
1 1 1 18 27 3  o 117.780 1.9097 139.539  3.1753  121.824 2.6065 113.736 2.7918 8.087822       3.819385 
1 1 1 18 27 5  o 159.191 2.2972 255.190  5.0733  159.350 2.8622 159.033 3.5939 0.3175659      4.594365 
1 1 1 18 27 7  o 104.078 1.9841 108.381  2.8809  101.667 2.5553 106.488 3.0360 -4.820885      3.968277 
1 1 1 18 27 9  o 35.715  5.4827 13.926   2.7973  43.911  6.1793 27.519  9.0584 16.39263       10.96533 
1 1 1 18 27 11 o 56.966  2.9741 32.838   2.3955  56.112  4.2184 57.819  4.1937 -1.706318      5.948268 
1 1 1 18 27 13 o 99.101  2.1480 100.529  2.9262  106.320 2.5521 91.881  3.4558 14.43867       4.296064 
1 1 1 18 27 15 o 118.193 2.2852 141.047  3.7019  118.051 2.7387 118.335 3.6590 -0.2843628     4.570413 
1 1 1 18 27 17 o 89.786  2.3787 81.288   2.9477  88.736  2.9277 90.836  3.7499 -2.099449      4.757413 
1 1 1 18 27 19 o 60.226  3.1462 36.515   2.6321  52.732  4.3793 67.719  4.5184 -14.98639      6.292368 
1 1 1 18 27 21 o 20.656  5.8311 2.6557   2.6827  22.606  8.2460 18.706  8.2469 3.899870       11.66218 
1 1 1 18 27 23 o 22.812  5.7168 4.6788   2.6105  27.140  7.9828 18.485  8.1854 8.654608       11.43360 
1 1 1 18 27 25 o 33.891  5.7733 14.147   2.6739  34.372  6.9615 33.409  9.2119 0.9632797      11.54650 
1 1 1 18 27 27 o 18.098  5.5968 0.2177   2.8305  17.054  8.1314 19.142  7.6927 -2.088270      11.19360 
1 1 1 18 27 29 o 25.709  6.1893 8.1906   2.5058  31.035  9.9076 20.384  7.4208 10.65070       12.37858 
1 1 1 18 28 0  o 36.634  9.1161 15.934   5.7732  36.634  9.1161 ?       ?      0.000000       0.000000 
1 1 1 18 28 2  o 30.143  6.1086 9.7514   2.7926  27.284  9.1485 33.002  8.0971 -5.717247      12.21713 
1 1 1 18 28 4  o 26.558  6.0133 7.0188   2.7024  22.618  8.8303 30.497  8.1648 -7.878750      12.02658 
1 1 1 18 28 6  o 21.695  6.3012 1.2168   3.1975  22.953  8.5133 20.437  9.2921 2.515619       12.60231 
1 1 1 18 28 8  o 37.283  5.5294 15.361   2.8820  45.186  6.1327 29.379  9.2026 15.80688       11.05881 
1 1 1 18 28 10 o 52.478  3.7712 28.121   2.7926  54.450  5.4075 50.507  5.2580 3.942608       7.542391 
1 1 1 18 28 12 o 100.526 2.1721 102.086  3.0064  100.715 2.6368 100.338 3.4523 0.3771286      4.344103 
1 1 1 18 28 14 o 118.991 2.0751 142.544  3.4811  116.142 2.8334 121.840 3.0326 -5.698555      4.150235 
1 1 1 18 28 16 f 70.183  3.3805 50.330   3.1196  69.178  3.6720 71.189  5.6768 -2.011620      6.760901 
1 1 1 18 28 18 f 30.138  6.3299 10.476   2.9310  32.363  7.9060 27.913  9.8877 4.450157       12.65983 
1 1 1 18 28 20 o 19.392  5.7428 1.6215   2.6243  16.750  7.3558 22.035  8.8210 -5.284651      11.48556 
1 1 1 18 28 22 o 21.979  6.1632 4.0213   2.9477  23.581  8.5419 20.376  8.8869 3.204679       12.32639 
1 1 1 18 28 24 o 24.481  5.9393 7.2915   2.4553  24.636  7.7717 24.326  8.9835 0.3106327      11.87864 
1 1 1 18 28 26 o 51.114  3.6952 28.052   2.5948  45.875  4.7822 56.353  5.6347 -10.47810      7.390466 
1 1 1 18 28 28 o 31.683  5.5544 13.646   2.4930  27.957  9.0564 35.408  6.4333 -7.450705      11.10881 
1 1 1 18 29 1  f 163.883 2.0347 270.387  4.6838  163.817 2.6784 163.948 3.0636 -0.1307526     4.069321 
1 1 1 18 29 3  o 120.223 2.1573 145.538  3.6549  118.932 2.9125 121.514 3.1832 -2.582748      4.314604 
1 1 1 18 29 5  o 40.872  5.3523 18.918   2.9083  50.586  5.4781 31.158  9.1966 19.42745       10.70457 
1 1 1 18 29 7  o 35.623  6.1632 14.353   3.0908  38.756  7.5693 32.491  9.7287 6.264957       12.32646 
1 1 1 18 29 9  o 30.579  5.5688 10.291   2.5110  35.988  7.3128 25.169  8.4004 10.81959       11.13752 
1 1 1 18 29 11 o 57.400  3.6262 33.939   2.9398  56.012  5.0505 58.787  5.2049 -2.775230      7.252449 
1 1 1 18 29 13 o 101.150 2.4245 103.907  3.4553  101.115 3.2544 101.185 3.5945 -0.7010651E-01 4.848920 
1 1 1 18 29 15 o 89.460  2.5412 81.473   3.1727  88.732  3.2532 90.188  3.9048 -1.456421      5.082409 
1 1 1 18 29 17 o 33.588  5.9813 13.381   2.9398  28.020  9.3262 39.156  7.4919 -11.13586      11.96267 
1 1 1 18 29 19 o 22.167  5.9645 4.4454   2.6444  25.378  8.9410 18.956  7.8969 6.422619       11.92899 
1 1 1 18 29 21 o 22.378  6.1843 5.3609   2.7712  20.629  8.0851 24.126  9.3602 -3.496531      12.36860 
1 1 1 18 29 23 o 19.712  5.8994 2.8607   2.7111  18.078  7.5253 21.346  9.0874 -3.267836      11.79876 
1 1 1 18 29 25 o 16.445  5.1864 -1.4099  2.6739  18.429  7.6431 14.461  7.0128 3.968071       10.37284 
1 1 1 18 29 27 o 13.405  4.5761 -3.7085  2.3039  11.457  5.5100 15.353  7.3078 -3.896334      9.152274 
1 1 1 18 30 0  o 160.778 2.9107 259.911  9.3526  160.778 2.9107 ?       ?      0.000000       0.000000 
1 1 1 18 30 2  o 86.714  2.8009 76.391   3.4290  85.345  3.8558 88.084  4.0636 -2.738739      5.601828 
1 1 1 18 30 4  o 22.875  6.2390 3.3485   3.0598  26.960  9.3178 18.790  8.2993 8.169569       12.47800 
1 1 1 18 30 6  o 54.652  4.2225 31.278   3.2616  53.302  6.0655 56.003  5.8760 -2.701057      8.444958 
1 1 1 18 30 8  o 33.510  6.2089 12.884   3.0587  38.240  8.0984 28.781  9.4138 9.458725       12.41787 
1 1 1 18 30 10 o 22.913  6.4298 3.9771   3.1079  21.448  8.7255 24.377  9.4464 -2.929314      12.85960 
1 1 1 18 30 12 o 20.515  5.7914 2.7530   2.5298  17.191  7.3554 23.840  8.9475 -6.649799      11.58279 
1 1 1 18 30 14 o 29.479  6.0755 10.207   2.7663  32.899  8.1127 26.058  9.0460 6.840399       12.15096 
1 1 1 18 30 16 o 73.488  3.0618 56.065   3.1585  73.225  4.0210 73.752  4.6185 -0.5273209     6.123598 
1 1 1 18 30 18 o 75.164  3.2760 60.211   3.4485  76.594  4.2210 73.734  5.0111 2.860237       6.551930 
1 1 1 18 30 20 o 33.666  6.1747 14.948   3.1727  40.658  7.3711 26.675  9.9082 13.98290       12.34934 
1 1 1 18 30 22 o 19.952  5.7837 0.5179   3.0087  13.160  6.4222 26.744  9.6208 -13.58469      11.56740 
1 1 1 18 30 24 o 18.253  5.4979 2.7416   2.4342  16.743  7.1642 19.763  8.3414 -3.019291      10.99573 
1 1 1 18 31 1  o 146.624 2.1225 217.458  4.3504  145.654 2.7349 147.593 3.2466 -1.938416      4.245034 
1 1 1 18 31 3  o 100.699 2.4544 103.105  3.4811  101.627 3.6357 99.771  3.2983 1.856262       4.908876 
1 1 1 18 31 5  o 22.170  6.0641 2.4744   3.0819  27.113  9.1485 17.226  7.9623 9.886541       12.12826 
1 1 1 18 31 7  o 29.384  6.3091 10.011   2.9152  32.498  8.7051 26.269  9.1344 6.229277       12.61811 
1 1 1 18 31 9  o 43.489  5.8840 21.735   3.4391  45.851  6.6734 41.127  9.6929 4.724186       11.76807 
1 1 1 18 31 11 o 25.801  6.4399 7.1394   3.0819  29.329  9.0990 22.273  9.1157 7.056543       12.87979 
1 1 1 18 31 13 o 37.129  5.5635 16.055   2.8100  36.725  7.3336 37.533  8.3683 -0.8078499     11.12702 
1 1 1 18 31 15 o 81.136  2.9213 69.020   3.3236  79.648  3.8417 82.625  4.4020 -2.977486      5.842597 
1 1 1 18 31 17 o 66.271  3.2520 46.924   3.0307  69.883  4.2958 62.659  4.8833 7.224781       6.503906 
1 1 1 18 31 19 o 33.582  6.9603 16.353   3.6371  29.743  10.802 37.421  8.7812 -7.678450      13.92064 
1 1 1 18 31 21 o 16.994  5.5513 -1.3082  3.0868  16.575  7.5283 17.413  8.1606 -0.8381538     11.10270 
1 1 1 18 31 23 o 20.273  6.1715 3.3232   3.4057  22.713  9.0834 17.832  8.3570 4.880844       12.34290 
1 1 1 18 32 0  o 82.306  4.3036 69.510   7.0433  82.306  4.3036 ?       ?      0.000000       0.000000 
1 1 1 18 32 2  o 89.687  2.8230 82.948   3.5785  92.088  3.9496 87.286  4.0346 4.801430       5.646036 
1 1 1 18 32 4  o 37.926  5.9638 16.874   3.1079  37.253  8.1286 38.599  8.7290 -1.346119      11.92763 
1 1 1 18 32 6  o 34.543  6.4920 14.487   3.2165  34.307  9.6779 34.779  8.6558 -0.4722214     12.98403 
1 1 1 18 32 8  o 81.014  3.0063 68.453   3.4348  83.999  4.0551 78.028  4.4393 5.970604       6.012582 
1 1 1 18 32 10 o 32.034  6.3997 13.176   3.0326  33.487  8.3053 30.580  9.7389 2.906771       12.79939 
1 1 1 18 32 12 f 30.606  6.2825 12.213   3.0819  36.285  8.2921 24.927  9.4404 11.35798       12.56504 
1 1 1 18 32 14 o 63.567  3.7475 45.090   3.1456  69.975  3.9602 57.158  6.3633 12.81715       7.494979 
1 1 1 18 32 16 o 68.520  3.5755 51.541   3.4057  69.918  4.4588 67.121  5.5908 2.796829       7.151089 
1 1 1 18 32 18 o 44.022  5.4540 24.039   3.2412  47.102  6.3736 40.942  8.8524 6.159981       10.90810 
1 1 1 18 32 20 o 23.838  6.9568 8.2860   4.0022  20.865  9.4406 26.810  10.221 -5.944935      13.91363 
1 1 1 18 33 1  o 21.574  6.0511 3.5794   3.0021  25.887  9.2014 17.261  7.8611 8.625948       12.10220 
1 1 1 18 33 3  o 34.120  6.4405 15.175   3.2320  38.741  8.7069 29.499  9.4928 9.241817       12.88108 
1 1 1 18 33 5  o 32.589  6.6406 14.075   3.2596  29.442  9.4946 35.735  9.2868 -6.293299      13.28126 
1 1 1 18 33 7  o 17.324  5.6982 -2.7208  3.3751  16.958  7.9126 17.691  8.2017 -0.7331123     11.39638 
1 1 1 18 33 9  o 17.517  5.6593 -3.7454  3.1825  12.581  6.2044 22.453  9.4666 -9.871826      11.31864 
1 1 1 18 33 11 o 34.267  6.2741 15.431   3.0668  30.653  8.7777 37.882  8.9672 -7.228695      12.54826 
1 1 1 18 33 13 o 48.047  5.5171 28.866   3.5217  56.782  6.2021 39.311  9.1261 17.47071       11.03411 
1 1 1 18 33 15 o 24.287  6.5387 7.8654   3.1461  25.840  9.3574 22.733  9.1355 3.107441       13.07743 
1 1 1 18 33 17 o 22.665  6.3135 6.0042   3.3173  17.127  7.9340 28.202  9.8230 -11.07512      12.62693 
1 1 1 18 34 0  o 15.626  10.011 2.7712   6.8124  15.626  10.011 ?       ?      0.000000       0.000000 
1 1 1 18 34 2  o 18.512  5.8678 0.4369   3.2018  17.901  8.1753 19.123  8.4196 -1.222298      11.73558 
1 1 1 18 34 4  o 32.667  6.6797 14.748   3.2494  34.036  9.7025 31.298  9.1835 2.738348       13.35950 
1 1 1 18 34 6  o 73.591  3.2890 58.719   3.3974  75.503  4.2820 71.679  4.9936 3.823593       6.578099 
1 1 1 18 34 8  o 92.243  2.7663 90.009   3.6080  92.568  3.8668 91.919  3.9569 0.6485291      5.532543 
1 1 1 18 34 10 o 69.170  3.8079 53.622   3.6603  74.557  4.7234 63.782  5.9740 10.77482       7.615713 
1 1 1 18 34 12 o 31.851  6.4105 15.516   3.3060  38.161  7.8335 25.540  10.150 12.62097       12.82093 
1 1 1 18 34 14 o 26.215  6.8809 10.569   3.4601  24.228  9.7146 28.202  9.7474 -3.974443      13.76175 
1 1 1 18 35 1  o 24.802  6.6735 8.2750   3.3653  20.505  8.7531 29.098  10.076 -8.592499      13.34691 
1 1 1 18 35 3  o 22.206  6.4204 6.2070   3.2018  21.240  8.8490 23.172  9.3050 -1.932390      12.84090 
1 1 1 18 35 5  o 24.601  6.5449 8.9872   3.1461  26.754  9.4678 22.448  9.0391 4.306118       13.08985 
1 1 1 18 35 7  o 25.756  6.7506 10.125   3.5207  21.098  9.1550 30.414  9.9230 -9.315937      13.50111 
1 1 1 18 35 9  o 51.842  5.0407 33.020   3.6723  50.615  6.7297 53.069  7.5063 -2.454311      10.08131 
1 1 1 19 1  0  o 529.909 4.5657 2809.72  48.380  529.909 4.5657 ?       ?      0.000000       0.000000 
1 1 1 19 1  2  o 172.059 1.7556 295.006  4.2441  167.281 2.3468 176.837 2.6118 -9.556488      3.511256 
1 1 1 19 1  4  o 228.014 1.8889 519.677  5.9954  227.236 2.3882 228.792 2.9271 -1.556778      3.777741 
1 1 1 19 1  6  o 232.664 1.9246 540.758  6.2836  230.536 2.5293 234.793 2.9015 -4.257507      3.849137 
1 1 1 19 1  8  o 238.591 2.1663 569.471  6.6786  238.611 2.2501 238.570 3.7025 0.4176331E-01  4.332625 
1 1 1 19 1  10 o 398.222 2.6942 1585.44  14.744  396.961 3.2578 399.483 4.2922 -2.521698      5.388479 
1 1 1 19 1  12 o 271.172 2.0379 736.575  7.5965  272.412 2.4584 269.933 3.2509 2.479645       4.075803 
1 1 1 19 1  14 o 163.354 1.7545 268.418  3.9773  167.583 2.1704 159.124 2.7574 8.458603       3.509066 
1 1 1 19 1  16 o 247.112 1.9523 609.870  6.6802  245.214 2.4250 249.010 3.0604 -3.796249      3.904680 
1 1 1 19 1  18 o 131.815 1.7446 174.525  3.2330  140.070 2.3081 123.559 2.6166 16.51191       3.489118 
1 1 1 19 1  20 o 282.738 2.0213 800.080  8.0809  285.991 2.8665 279.485 2.8506 6.505280       4.042645 
1 1 1 19 1  22 o 148.077 1.6543 219.327  3.4601  149.223 2.3987 146.930 2.2790 2.293091       3.308676 
1 1 1 19 1  24 o 61.244  2.4415 37.640   2.1068  57.710  3.6014 64.777  3.2976 -7.067017      4.883043 
1 1 1 19 1  26 o 100.401 1.8101 100.633  2.5532  102.548 2.7023 98.255  2.4091 4.293388       3.620225 
1 1 1 19 1  28 o 150.941 1.6498 228.158  3.5217  151.706 2.3214 150.176 2.3450 1.529953       3.299699 
1 1 1 19 1  30 o 156.870 1.7597 246.034  3.7819  155.879 2.1111 157.861 2.8160 -1.981674      3.519468 
1 1 1 19 1  32 o 55.548  2.8164 30.929   2.0537  55.107  3.0382 55.990  4.7432 -0.8825836     5.632774 
1 1 1 19 1  34 f 43.564  4.3340 20.191   2.1785  46.041  3.6364 41.087  7.8683 4.954395       8.668004 
1 1 1 19 1  36 o 80.372  2.4925 65.633   2.6083  81.940  2.6069 78.804  4.2491 3.135941       4.985069 
1 1 1 19 1  38 o 30.444  5.2599 10.042   2.1568  29.836  6.2043 31.051  8.4954 -1.214579      10.51972 
1 1 1 19 1  40 o 41.466  4.6150 18.388   2.3815  41.959  4.5405 40.974  8.0360 0.9855423      9.230060 
1 1 1 19 1  42 o 62.645  3.1548 40.148   2.7140  58.245  3.9648 67.046  4.9082 -8.800785      6.309534 
1 1 1 19 1  44 o 23.866  5.6265 6.1422   2.7331  30.006  7.8128 17.726  8.0987 12.28036       11.25296 
1 1 1 19 1  46 o 21.315  6.7242 3.7033   4.2581  20.461  9.9005 22.168  9.1015 -1.707491      13.44834 
1 1 1 19 2  1  o 114.373 1.4259 129.840  2.2862  120.176 2.1138 108.570 1.9143 11.60633       2.851765 
1 1 1 19 2  3  f 250.445 1.9922 630.248  7.0087  261.546 2.6047 239.343 3.0151 22.20331       3.984392 
1 1 1 19 2  5  o 168.924 1.6940 284.729  4.0116  166.313 2.2216 171.535 2.5579 -5.222504      3.387974 
1 1 1 19 2  7  o 206.861 1.9117 427.124  5.5052  204.733 2.4251 208.990 2.9558 -4.257095      3.823348 
1 1 1 19 2  9  o 451.368 3.2009 2039.53  19.760  451.702 3.8088 451.034 5.1456 0.6677856      6.401854 
1 1 1 19 2  11 o 276.756 2.1271 764.456  8.0777  274.458 2.5663 279.053 3.3929 -4.594940      4.254143 
1 1 1 19 2  13 o 112.886 1.5602 127.344  2.4610  112.275 2.0054 113.497 2.3907 -1.221359      3.120462 
1 1 1 19 2  15 f 64.612  2.4269 43.435   2.0879  72.703  2.6205 56.521  4.0858 16.18221       4.853897 
1 1 1 19 2  17 o 249.405 2.1148 620.040  7.2810  253.211 3.3288 245.599 2.6092 7.611755       4.229554 
1 1 1 19 2  19 o 21.566  5.0435 4.4398   1.7878  21.961  7.2467 21.171  7.0166 0.7899914      10.08700 
1 1 1 19 2  21 o 98.445  1.6630 97.174   2.3078  100.998 2.2293 95.893  2.4684 5.105461       3.326085 
1 1 1 19 2  23 o 145.836 1.5263 212.903  3.1461  144.192 2.2021 147.480 2.1139 -3.287613      3.052503 
1 1 1 19 2  25 o 52.936  2.5823 27.982   1.9233  54.617  3.8053 51.255  3.4918 3.362591       5.164595 
1 1 1 19 2  27 o 59.288  2.6695 35.364   2.2043  58.443  4.1489 60.134  3.3602 -1.690681      5.338971 
1 1 1 19 2  29 o 61.153  2.6636 37.064   2.2732  65.653  3.9571 56.653  3.5667 8.999569       5.327278 
1 1 1 19 2  31 o 29.958  5.4051 9.0784   2.1650  26.474  6.5659 33.443  8.5879 -6.968931      10.81029 
1 1 1 19 2  33 o 14.062  4.6392 -4.2722  2.2573  14.037  6.3830 14.088  6.7339 -0.5051041E-01 9.278395 
1 1 1 19 2  35 o 94.258  2.1312 88.154   2.7334  90.349  2.5560 98.167  3.4110 -7.818481      4.262373 
1 1 1 19 2  37 o 65.848  2.8580 44.252   2.5158  67.352  3.1716 64.345  4.7553 3.006821       5.715953 
1 1 1 19 2  39 o 29.853  5.6232 9.9135   2.3753  29.251  7.1547 30.456  8.6770 -1.204941      11.24634 
1 1 1 19 2  41 o 65.075  3.3619 45.708   2.8329  71.476  3.3924 58.674  5.8053 12.80128       6.723830 
1 1 1 19 2  43 o 30.426  5.7974 11.948   2.6926  35.769  6.5378 25.084  9.5759 10.68488       11.59482 
1 1 1 19 2  45 o 16.629  5.3679 -3.0159  2.8300  11.779  5.8098 21.479  9.0278 -9.699725      10.73572 
1 1 1 19 3  0  o 83.701  2.1413 70.202   3.5794  83.701  2.1413 ?       ?      0.000000       0.000000 
1 1 1 19 3  2  o 74.848  2.0560 54.402   2.0260  69.879  2.3133 79.817  3.3995 -9.937782      4.111946 
1 1 1 19 3  4  o 172.676 1.6863 298.538  4.0697  171.669 2.5895 173.682 2.1606 -2.012466      3.372506 
1 1 1 19 3  6  o 219.806 1.8268 483.451  5.6201  220.297 2.3586 219.316 2.7903 0.9811401      3.653613 
1 1 1 19 3  8  o 86.221  1.7289 74.398   2.0206  86.358  2.0056 86.083  2.8168 0.2749252      3.457803 
1 1 1 19 3  10 o 154.898 1.6134 240.981  3.4391  157.325 1.9449 152.470 2.5748 4.854660       3.226796 
1 1 1 19 3  12 o 244.163 1.8394 596.027  6.3422  246.441 2.6706 241.885 2.5300 4.556808       3.678713 
1 1 1 19 3  14 o 158.655 1.5438 251.636  3.4601  156.837 2.1350 160.473 2.2305 -3.635452      3.087636 
1 1 1 19 3  16 o 79.323  2.0271 61.746   2.2187  85.392  3.1100 73.254  2.6008 12.13728       4.054138 
1 1 1 19 3  18 o 148.014 1.5978 217.667  3.3236  157.447 2.3101 138.581 2.2080 18.86618       3.195544 
1 1 1 19 3  20 o 122.991 1.7960 151.628  3.1165  126.044 2.4276 119.938 2.6474 6.106117       3.591941 
1 1 1 19 3  22 o 275.124 1.9959 757.831  7.7640  275.736 2.7847 274.512 2.8602 1.224060       3.991901 
1 1 1 19 3  24 o 137.500 1.6515 189.444  3.1976  135.900 2.4639 139.101 2.1997 -3.201309      3.302977 
1 1 1 19 3  26 o 97.485  1.7417 95.178   2.3872  97.182  2.6139 97.788  2.3025 -0.6056671     3.483371 
1 1 1 19 3  28 o 120.815 1.7522 146.634  2.9505  118.910 2.7189 122.719 2.2111 -3.809113      3.504432 
1 1 1 19 3  30 o 54.905  3.1056 30.235   2.1810  54.714  3.1655 55.096  5.3441 -0.3810844     6.211223 
1 1 1 19 3  32 f 37.702  3.6350 14.388   1.9302  38.104  4.8484 37.300  5.4172 0.8034058      7.270032 
1 1 1 19 3  34 o 23.566  5.6713 5.2998   2.1924  23.324  7.0657 23.807  8.8729 -0.4833946     11.34255 
1 1 1 19 3  36 o 47.547  3.7441 23.229   2.3772  48.848  4.1365 46.245  6.2420 2.603119       7.488209 
1 1 1 19 3  38 o 21.046  5.6409 3.5710   2.2530  20.730  7.2329 21.362  8.6582 -0.6323795     11.28178 
1 1 1 19 3  40 o 52.411  3.5270 28.432   2.4754  52.340  3.9709 52.482  5.8302 -0.1424408     7.054015 
1 1 1 19 3  42 o 33.821  5.0935 13.135   2.3544  31.263  7.1668 36.379  7.2396 -5.116419      10.18699 
1 1 1 19 3  44 o 22.128  5.9827 5.6950   2.5948  22.365  7.8743 21.891  9.0092 0.4734669      11.96537 
1 1 1 19 3  46 f 19.005  5.4801 2.6300   2.5928  22.841  8.3424 15.169  7.1085 7.671723       10.96020 
1 1 1 19 4  1  o 250.201 1.8523 626.271  6.5525  247.974 2.6541 252.428 2.5844 -4.453949      3.704509 
1 1 1 19 4  3  o 149.923 1.4986 224.334  3.1585  152.366 2.2355 147.479 1.9964 4.886703       2.997241 
1 1 1 19 4  5  o 337.542 2.2679 1139.91  10.825  339.988 3.1754 335.096 3.2390 4.892365       4.535863 
1 1 1 19 4  7  o 281.421 2.0526 792.253  8.1690  281.800 2.9091 281.042 2.8965 0.7583618      4.105191 
1 1 1 19 4  9  o 230.617 1.9868 532.407  6.4475  229.211 2.9721 232.024 2.6375 -2.812958      3.973647 
1 1 1 19 4  11 o 230.525 1.7975 531.602  5.8597  230.399 2.5559 230.650 2.5281 -0.2512207     3.594931 
1 1 1 19 4  13 f 425.329 2.7209 1810.13  16.358  421.172 3.7970 429.487 3.8982 -8.315613      5.441806 
1 1 1 19 4  15 o 207.727 1.9724 433.935  5.6169  203.973 3.1700 211.480 2.3477 -7.507385      3.944738 
1 1 1 19 4  17 o 205.772 1.6979 423.469  4.9224  206.552 2.5155 204.992 2.2812 1.560364       3.395864 
1 1 1 19 4  19 o 138.706 2.1713 190.502  4.0365  134.762 2.4847 142.649 3.5615 -7.887268      4.342592 
1 1 1 19 4  21 o 209.553 1.7346 439.411  5.1323  209.228 2.3730 209.878 2.5307 -0.6505585     3.469224 
1 1 1 19 4  23 o 120.260 1.5689 145.214  2.6507  123.744 2.0528 116.775 2.3731 6.968491       3.137741 
1 1 1 19 4  25 o 93.350  1.6844 87.204   2.2193  93.748  2.4633 92.951  2.2981 0.7964478      3.368828 
1 1 1 19 4  27 o 49.549  2.7205 24.652   1.9052  48.559  3.9234 50.539  3.7697 -1.980762      5.440939 
1 1 1 19 4  29 o 148.189 1.6849 220.066  3.5065  147.628 2.5419 148.750 2.2123 -1.122238      3.369789 
1 1 1 19 4  31 o 69.467  2.5353 47.961   2.4167  66.901  3.1066 72.032  4.0074 -5.130310      5.070546 
1 1 1 19 4  33 f 64.231  2.6552 40.678   2.2703  60.923  3.0324 67.538  4.3595 -6.615921      5.310458 
1 1 1 19 4  35 o 70.132  2.6590 49.454   2.5884  69.056  3.3441 71.207  4.1349 -2.150925      5.317902 
1 1 1 19 4  37 o 58.847  3.2396 34.412   2.5477  55.403  3.7514 62.292  5.2827 -6.889851      6.479206 
1 1 1 19 4  39 o 64.040  2.7051 41.336   2.4125  60.373  3.5382 67.707  4.0929 -7.334473      5.410201 
1 1 1 19 4  41 o 27.244  6.1300 8.4540   2.5754  24.736  7.8835 29.753  9.3892 -5.016848      12.25994 
1 1 1 19 4  43 o 39.819  6.6059 22.091   3.5016  48.415  5.3660 31.224  12.073 17.19069       13.21186 
1 1 1 19 4  45 o 19.492  5.8425 3.1313   2.7643  19.607  7.7587 19.377  8.7373 0.2294693      11.68496 
1 1 1 19 5  0  o 29.619  6.4590 9.9300   3.3485  29.619  6.4590 ?       ?      0.000000       0.000000 
1 1 1 19 5  2  o 297.609 2.0569 884.458  8.6410  305.296 2.9689 289.922 2.8476 15.37399       4.113769 
1 1 1 19 5  4  o 388.397 2.7864 1508.51  15.009  389.440 4.3584 387.354 3.4727 2.085449       5.572712 
1 1 1 19 5  6  o 298.061 2.4123 889.360  9.9841  297.251 3.7679 298.871 3.0134 -1.619812      4.824694 
1 1 1 19 5  8  o 217.203 1.7013 473.363  5.0817  214.684 2.7161 219.722 2.0495 -5.038437      3.402549 
1 1 1 19 5  10 o 105.379 1.4397 111.344  2.0404  104.663 2.3719 106.095 1.6325 -1.432274      2.879372 
1 1 1 19 5  12 o 251.077 1.9986 632.959  6.8134  248.298 3.2552 253.855 2.3197 -5.556503      3.997142 
1 1 1 19 5  14 o 290.234 2.0536 842.836  8.4285  288.842 2.8982 291.625 2.9101 -2.782379      4.107101 
1 1 1 19 5  16 o 73.940  1.8075 54.926   1.8652  75.661  2.2891 72.219  2.7979 3.441681       3.615038 
1 1 1 19 5  18 o 228.260 1.9678 523.358  6.3184  237.825 2.5974 218.695 2.9566 19.12941       3.935526 
1 1 1 19 5  20 o 184.675 1.6805 341.122  4.3808  185.983 2.4523 183.367 2.2984 2.615417       3.360991 
1 1 1 19 5  22 o 174.992 1.6461 305.766  4.0454  177.884 2.4666 172.100 2.1805 5.783966       3.292195 
1 1 1 19 5  24 o 111.948 1.7865 125.298  2.8242  114.264 2.5768 109.632 2.4750 4.631660       3.572903 
1 1 1 19 5  26 o 208.918 1.8182 436.905  5.3592  209.942 2.6674 207.894 2.4715 2.047333       3.636429 
1 1 1 19 5  28 o 95.948  1.9156 92.210   2.5928  96.481  2.8124 95.415  2.6018 1.065208       3.831290 
1 1 1 19 5  30 o 28.555  5.2377 8.5459   2.1111  29.419  7.8839 27.690  6.8978 1.728971       10.47550 
1 1 1 19 5  32 o 30.437  5.4912 9.9506   2.3134  32.514  6.0849 28.360  9.1425 4.153431       10.98233 
1 1 1 19 5  34 o 32.300  5.2612 11.364   2.3574  36.555  5.5276 28.045  8.9535 8.510391       10.52238 
1 1 1 19 5  36 f 71.997  2.5812 52.107   2.5158  71.119  3.0035 72.875  4.1987 -1.755913      5.162404 
1 1 1 19 5  38 o 27.634  5.9972 8.1668   2.4961  25.742  7.7035 29.525  9.1934 -3.783453      11.99430 
1 1 1 19 5  40 o 62.870  2.7936 40.485   2.4704  61.838  3.7345 63.901  4.1559 -2.063934      5.587278 
1 1 1 19 5  42 o 58.788  3.1803 36.562   2.6011  59.266  3.9939 58.310  4.9504 0.9550171      6.360672 
1 1 1 19 5  44 o 24.021  5.9433 7.0267   2.7640  28.329  8.2590 19.713  8.5487 8.616173       11.88662 
1 1 1 19 6  1  o 464.694 3.1406 2161.93  20.569  462.801 4.6530 466.586 4.2193 -3.784943      6.281161 
1 1 1 19 6  3  o 287.856 2.3013 818.836  9.1117  300.561 3.6111 275.151 2.8536 25.41080       4.602511 
1 1 1 19 6  5  o 263.659 1.9709 697.556  7.1712  260.375 3.1264 266.943 2.4006 -6.567993      3.941717 
1 1 1 19 6  7  o 166.547 1.5962 277.798  3.7490  163.824 2.3611 169.269 2.1487 -5.444763      3.192468 
1 1 1 19 6  9  o 225.144 1.9084 508.468  5.8045  223.360 3.1275 226.927 2.1879 -3.566742      3.816844 
1 1 1 19 6  11 o 529.003 3.3694 2806.29  24.739  525.531 5.2730 532.475 4.1960 -6.943726      6.738774 
1 1 1 19 6  13 f 142.871 1.6274 204.053  3.2044  143.248 2.5794 142.494 1.9853 0.7537231      3.254895 
1 1 1 19 6  15 o 200.993 1.7655 401.439  4.7050  204.260 2.9395 197.726 1.9563 6.534470       3.530929 
1 1 1 19 6  17 o 433.641 3.0333 1884.12  18.485  433.020 4.5597 434.263 4.0016 -1.243164      6.066605 
1 1 1 19 6  19 o 268.722 2.0046 721.377  7.5992  275.754 2.9101 261.691 2.7577 14.06305       4.009181 
1 1 1 19 6  21 o 136.124 1.7562 182.992  3.2883  142.678 2.7515 129.570 2.1833 13.10808       3.512470 
1 1 1 19 6  23 o 82.856  1.9943 68.525   2.3292  85.707  2.8965 80.006  2.7421 5.701103       3.988569 
1 1 1 19 6  25 o 161.721 1.6666 261.859  3.8095  160.843 2.4049 162.598 2.3079 -1.754349      3.333134 
1 1 1 19 6  27 f 150.122 1.6048 225.595  3.4023  149.340 2.2035 150.903 2.3337 -1.563034      3.209636 
1 1 1 19 6  29 o 53.820  2.8463 29.092   2.1615  53.918  4.1759 53.723  3.8687 0.1951408      5.692526 
1 1 1 19 6  31 o 26.719  5.3066 7.4887   2.1773  30.507  6.4446 22.931  8.4326 7.575914       10.61325 
1 1 1 19 6  33 o 49.938  3.5167 24.799   2.4342  42.812  4.9895 57.065  4.9573 -14.25357      7.033480 
1 1 1 19 6  35 o 63.338  2.7781 40.313   2.4489  61.950  3.5413 64.725  4.2814 -2.774811      5.556160 
1 1 1 19 6  37 o 62.488  2.9487 40.126   2.5532  65.531  3.6121 59.444  4.6618 6.086926       5.897362 
1 1 1 19 6  39 f 71.155  2.4959 51.391   2.5031  69.926  3.3851 72.385  3.6688 -2.459282      4.991889 
1 1 1 19 6  41 o 38.532  4.8128 16.480   2.5192  39.556  5.8380 37.508  7.6531 2.047760       9.625630 
1 1 1 19 6  43 f 19.560  5.8203 2.7712   2.7177  19.077  7.9190 20.043  8.5320 -0.9658813     11.64065 
1 1 1 19 6  45 o 26.065  6.0119 9.7042   2.5610  23.661  8.2834 28.469  8.7153 -4.808313      12.02380 
1 1 1 19 7  0  o 444.250 4.4454 1975.02  39.489  444.250 4.4454 ?       ?      0.000000       0.000000 
1 1 1 19 7  2  o 210.864 1.7326 446.365  5.1220  205.344 2.6428 216.384 2.2412 -11.03990      3.465138 
1 1 1 19 7  4  o 179.283 1.8125 322.978  4.3580  177.084 2.9994 181.482 2.0359 -4.398071      3.625072 
1 1 1 19 7  6  o 143.158 1.5937 203.402  3.0241  145.812 2.6528 140.504 1.7668 5.308228       3.187304 
1 1 1 19 7  8  o 412.930 2.7473 1704.58  15.506  414.411 4.4162 411.448 3.2693 2.962311       5.494653 
1 1 1 19 7  10 o 344.525 2.3978 1189.26  11.388  342.878 3.8053 346.173 2.9185 -3.295044      4.795630 
1 1 1 19 7  12 o 101.510 1.6905 103.741  2.2769  99.910  2.8314 103.110 1.8477 -3.200073      3.380969 
1 1 1 19 7  14 o 184.717 1.6697 340.824  4.2529  185.816 2.6409 183.618 2.0437 2.197052       3.339335 
1 1 1 19 7  16 o 124.874 1.7011 157.980  2.8123  121.001 2.8627 128.746 1.8385 -7.744583      3.402259 
1 1 1 19 7  18 f 65.045  2.2254 39.331   1.7954  73.048  3.7936 57.042  2.3278 16.00579       4.450870 
1 1 1 19 7  20 o 47.153  3.3953 23.181   1.9645  43.937  6.0443 50.369  3.0947 -6.431721      6.790516 
1 1 1 19 7  22 o 60.569  2.5402 36.164   2.0784  63.310  4.1035 57.827  2.9951 5.482426       5.080305 
1 1 1 19 7  24 o 37.731  3.8959 14.318   2.0784  38.190  5.4422 37.272  5.5763 0.9180717      7.791831 
1 1 1 19 7  26 o 61.563  2.6857 38.032   2.3378  60.675  3.8060 62.451  3.7902 -1.776245      5.371366 
1 1 1 19 7  28 o 98.386  1.8255 96.783   2.5350  102.632 2.5876 94.140  2.5757 8.491455       3.650991 
1 1 1 19 7  30 o 110.843 2.0259 123.041  3.1658  109.064 2.7526 112.623 2.9732 -3.558121      4.051724 
1 1 1 19 7  32 o 56.306  3.0704 31.129   2.3555  51.341  3.8233 61.271  4.8054 -9.930622      6.140831 
1 1 1 19 7  34 o 45.281  3.6000 20.216   2.2386  37.830  5.0362 52.732  5.1457 -14.90230      7.200088 
1 1 1 19 7  36 o 39.027  4.2390 15.665   2.2508  33.292  6.2987 44.763  5.6749 -11.47103      8.478090 
1 1 1 19 7  38 f 65.963  2.5686 44.262   2.3955  67.131  3.6120 64.796  3.6531 2.335503       5.137244 
1 1 1 19 7  40 o 49.733  3.8376 26.531   2.6189  54.693  4.5390 44.774  6.1892 9.918831       7.675231 
1 1 1 19 7  42 o 18.611  5.6371 1.6339   2.6842  17.312  7.7129 19.910  8.2229 -2.597858      11.27414 
1 1 1 19 7  44 o 20.128  5.7149 3.9961   2.5031  18.078  7.6302 22.179  8.5101 -4.101170      11.42990 
1 1 1 19 8  1  o 318.250 2.6695 1016.15  11.888  313.101 4.0934 323.399 3.4275 -10.29849      5.338927 
1 1 1 19 8  3  o 400.340 3.2282 1610.61  17.185  396.356 5.3893 404.324 3.5554 -7.967926      6.456451 
1 1 1 19 8  5  o 110.606 1.4061 121.979  2.1695  112.378 2.1577 108.833 1.8036 3.544685       2.812202 
1 1 1 19 8  7  o 81.035  1.7179 65.984   1.8819  79.962  2.8158 82.108  1.9688 -2.145760      3.435794 
1 1 1 19 8  9  o 344.281 2.4567 1184.43  11.547  345.909 3.9555 342.652 2.9148 3.256805       4.913491 
1 1 1 19 8  11 o 65.453  2.3589 43.424   1.9180  63.984  4.1505 66.921  2.2430 -2.936813      4.717835 
1 1 1 19 8  13 o 294.133 2.2210 862.405  8.7291  297.081 3.6729 291.185 2.4982 5.895203       4.441939 
1 1 1 19 8  15 o 375.639 2.6854 1408.88  13.649  378.666 4.3757 372.611 3.1143 6.054993       5.370779 
1 1 1 19 8  17 o 162.888 1.8662 266.463  3.8969  161.756 3.2122 164.020 1.9007 -2.264236      3.732409 
1 1 1 19 8  19 o 194.195 1.9357 381.091  4.8787  190.187 3.3087 198.202 2.0098 -8.014923      3.871337 
1 1 1 19 8  21 o 180.364 1.8266 326.823  4.5724  177.305 2.8654 183.422 2.2662 -6.116974      3.653219 
1 1 1 19 8  23 f 68.358  2.3640 46.838   2.0100  68.280  4.1431 68.436  2.2777 -0.1568375     4.727901 
1 1 1 19 8  25 o 194.683 1.8099 377.846  4.7110  196.938 2.9901 192.427 2.0401 4.510925       3.619811 
1 1 1 19 8  27 o 42.423  4.7261 19.769   2.0729  38.449  8.8812 46.397  3.2352 -7.947891      9.452161 
1 1 1 19 8  29 o 22.391  5.8882 3.9484   2.4155  23.449  9.0358 21.333  7.5524 2.116089       11.77643 
1 1 1 19 8  31 o 63.447  2.6538 40.964   2.3093  66.175  3.1407 60.718  4.2787 5.457264       5.307654 
1 1 1 19 8  33 o 71.549  2.6875 51.885   2.5540  72.439  2.9488 70.658  4.4939 1.780876       5.374963 
1 1 1 19 8  35 o 73.810  2.5501 56.349   2.5298  79.601  2.8286 68.018  4.2439 11.58256       5.100116 
1 1 1 19 8  37 o 57.975  2.6772 34.006   2.1802  56.797  3.5576 59.153  4.0015 -2.355579      5.354348 
1 1 1 19 8  39 o 30.706  5.8862 10.873   2.6240  31.597  8.0221 29.814  8.6161 1.782707       11.77247 
1 1 1 19 8  41 o 18.077  5.3936 1.3196   2.4234  19.827  7.9206 16.327  7.3229 3.500414       10.78710 
1 1 1 19 8  43 o 19.293  5.4830 3.4269   2.3378  17.554  7.5274 21.031  7.9746 -3.476959      10.96610 
1 1 1 19 8  45 o 23.330  5.8050 7.3100   2.4234  21.342  8.2182 25.319  8.2009 -3.977297      11.61002 
1 1 1 19 9  0  o 148.804 2.0572 221.577  6.1196  148.804 2.0572 ?       ?      0.000000       0.000000 
1 1 1 19 9  2  o 548.917 3.9881 3018.64  29.973  548.470 6.3998 549.363 4.7606 -0.8933105     7.976273 
1 1 1 19 9  4  o 461.926 3.2325 2135.58  20.712  462.466 5.0558 461.386 4.0291 1.080231       6.464937 
1 1 1 19 9  6  o 364.722 2.6629 1334.64  13.561  359.639 4.1095 369.804 3.3877 -10.16501      5.325862 
1 1 1 19 9  8  o 229.352 1.9871 528.766  6.3103  224.633 3.1355 234.072 2.4418 -9.438568      3.974107 
1 1 1 19 9  10 o 211.938 1.8290 447.607  5.1866  214.111 3.0199 209.765 2.0642 4.346039       3.657980 
1 1 1 19 9  12 o 176.879 1.7488 312.463  4.1381  177.678 2.8918 176.079 1.9673 1.598618       3.497553 
1 1 1 19 9  14 o 45.204  4.0492 23.359   1.8980  37.674  7.6220 52.733  2.7370 -15.05905      8.098490 
1 1 1 19 9  16 o 144.672 1.7671 207.860  3.2794  146.819 3.0278 142.525 1.8228 4.294052       3.534143 
1 1 1 19 9  18 o 189.138 2.0171 362.193  4.9130  184.670 3.4701 193.605 2.0575 -8.935120      4.034259 
1 1 1 19 9  20 o 167.880 1.6561 284.568  3.8129  162.379 2.6666 173.381 1.9646 -11.00227      3.312113 
1 1 1 19 9  22 o 96.225  1.9201 93.268   2.3358  95.115  3.3383 97.334  1.8980 -2.218452      3.840192 
1 1 1 19 9  24 o 105.864 2.1168 113.946  2.7523  103.195 3.7483 108.533 1.9682 -5.337860      4.233603 
1 1 1 19 9  26 o 103.609 2.1292 106.032  2.5895  105.725 3.8224 101.493 1.8771 4.231506       4.258477 
1 1 1 19 9  28 o 94.886  2.0731 89.141   2.4235  96.766  3.6394 93.006  1.9864 3.759590       4.146160 
1 1 1 19 9  30 f 83.555  2.1958 68.470   2.2323  86.557  3.8685 80.553  2.0784 6.004311       4.391511 
1 1 1 19 9  32 o 137.522 2.0949 189.626  3.6966  138.043 3.5967 137.002 2.1491 1.041595       4.189858 
1 1 1 19 9  34 o 19.992  5.3124 3.1338   1.9320  21.518  8.3076 18.465  6.6236 3.052565       10.62488 
1 1 1 19 9  36 o 102.024 2.0953 104.542  2.6751  102.675 3.6548 101.373 2.0502 1.301392       4.190613 
1 1 1 19 9  38 o 26.056  4.7311 7.5052   1.9320  20.025  8.1198 32.086  4.8581 -12.06060      9.462127 
1 1 1 19 9  40 o 26.978  4.9371 8.5069   1.9074  21.792  8.8850 32.165  4.3077 -10.37348      9.874228 
1 1 1 19 9  42 o 17.582  5.1957 1.8132   1.9501  18.366  8.3242 16.799  6.2199 1.567442       10.39134 
1 1 1 19 9  44 o 20.348  5.3873 4.6186   1.7175  24.260  9.0501 16.436  5.8469 7.824223       10.77456 
1 1 1 19 10 1  o 324.415 2.4910 1050.95  11.302  328.397 3.7973 320.433 3.2250 7.963776       4.981994 
1 1 1 19 10 3  o 388.160 2.8609 1508.89  15.542  389.292 3.6927 387.028 4.3706 2.263641       5.721740 
1 1 1 19 10 5  o 368.487 2.7299 1358.98  14.065  368.691 4.1809 368.283 3.5114 0.4084473      5.459847 
1 1 1 19 10 7  o 159.161 1.7403 252.589  3.6567  160.381 2.9158 157.942 1.9007 2.438629       3.480591 
1 1 1 19 10 9  o 146.437 1.6282 214.991  3.2290  145.482 2.6588 147.393 1.8801 -1.911240      3.256387 
1 1 1 19 10 11 o 43.961  3.1283 18.428   1.7440  47.879  5.3055 40.044  3.3160 7.835106       6.256558 
1 1 1 19 10 13 o 28.028  4.6555 7.9836   1.6532  28.895  7.9475 27.162  4.8508 1.732821       9.310944 
1 1 1 19 10 15 o 97.282  2.3325 98.524   2.7375  91.079  4.1836 103.486 2.0641 -12.40768      4.665066 
1 1 1 19 10 17 o 104.303 1.6890 109.272  2.3962  103.074 2.7445 105.532 1.9694 -2.457451      3.378009 
1 1 1 19 10 19 o 136.973 1.7862 189.360  3.3583  132.700 2.8714 141.245 2.1254 -8.544617      3.572441 
1 1 1 19 10 21 o 81.269  2.1598 64.982   2.2268  83.899  3.7158 78.638  2.2024 5.260460       4.319512 
1 1 1 19 10 23 o 103.918 1.9894 109.072  2.6863  101.995 3.3962 105.840 2.0728 -3.845291      3.978741 
1 1 1 19 10 25 o 131.039 1.8843 172.643  3.1698  130.056 3.2405 132.021 1.9241 -1.964859      3.768677 
1 1 1 19 10 27 o 128.755 1.8449 165.889  3.1449  129.087 3.0859 128.424 2.0230 0.6636810      3.689881 
1 1 1 19 10 29 o 128.758 1.8988 168.580  3.1366  125.046 3.2780 132.469 1.9176 -7.423119      3.797674 
1 1 1 19 10 31 o 26.224  4.3375 7.2030   1.9204  16.863  7.2882 35.584  4.7050 -18.72198      8.674913 
1 1 1 19 10 33 o 49.331  3.1400 24.988   1.9180  47.946  5.5389 50.715  2.9598 -2.768723      6.280087 
1 1 1 19 10 35 o 81.677  2.0243 64.804   2.1015  86.988  3.4511 76.366  2.1168 10.62201       4.048594 
1 1 1 19 10 37 f 18.760  5.3356 2.2816   1.7951  21.649  8.8656 15.870  5.9393 5.778991       10.67122 
1 1 1 19 10 39 o 19.903  5.2922 3.4750   1.7747  21.360  8.7135 18.447  6.0087 2.913019       10.58436 
1 1 1 19 10 41 o 17.919  5.4010 1.8150   2.1643  20.605  8.6851 15.233  6.4227 5.372277       10.80194 
1 1 1 19 10 43 o 20.368  6.1691 1.9127   3.2772  15.478  7.2867 25.258  9.9567 -9.780030      12.33823 
1 1 1 19 11 0  o 340.981 3.2853 1163.42  22.400  340.981 3.2853 ?       ?      0.000000       0.000000 
1 1 1 19 11 2  o 429.888 3.1168 1846.30  18.743  424.340 4.0407 435.436 4.7465 -11.09567      6.233560 
1 1 1 19 11 4  o 234.937 1.8161 552.240  6.0318  234.481 2.6099 235.393 2.5262 -0.9123230     3.632205 
1 1 1 19 11 6  o 102.823 1.6092 105.778  2.3349  102.993 2.1861 102.653 2.3621 0.3397980      3.218496 
1 1 1 19 11 8  o 119.760 1.5889 141.961  2.5302  122.859 2.6315 116.661 1.7815 6.198151       3.177818 
1 1 1 19 11 10 o 108.619 1.7380 117.400  2.5123  110.069 2.8848 107.168 1.9393 2.900681       3.476085 
1 1 1 19 11 12 o 186.505 1.8106 347.791  4.5562  186.903 2.9653 186.108 2.0784 0.7944489      3.621184 
1 1 1 19 11 14 o 161.354 1.6650 260.067  3.6451  162.212 2.7049 160.497 1.9424 1.715134       3.330091 
1 1 1 19 11 16 o 24.880  4.5706 4.3163   1.7184  37.381  7.3667 12.378  5.4124 25.00249       9.141290 
1 1 1 19 11 18 o 170.918 1.8801 295.820  4.3547  164.745 3.0838 177.091 2.1516 -12.34535      3.760237 
1 1 1 19 11 20 o 58.781  2.6566 34.283   1.8601  59.624  4.7446 57.939  2.3914 1.684731       5.313167 
1 1 1 19 11 22 f 37.887  4.9223 15.123   2.2740  35.788  8.7682 39.986  4.4758 -4.198044      9.844522 
1 1 1 19 11 24 f 55.126  3.0837 30.419   2.1015  55.418  5.4172 54.835  2.9480 0.5827065      6.167376 
1 1 1 19 11 26 o 43.820  3.5606 18.761   1.9614  46.100  6.1365 41.541  3.6134 4.558720       7.121296 
1 1 1 19 11 28 o 27.920  5.2815 7.8766   1.9801  30.638  8.5406 25.202  6.2158 5.436441       10.56306 
1 1 1 19 11 30 o 77.827  2.7975 60.249   2.4248  78.941  5.1193 76.712  2.2577 2.228806       5.595092 
1 1 1 19 11 32 o 25.495  5.3240 6.6007   1.8843  27.001  8.7824 23.989  6.0208 3.012228       10.64807 
1 1 1 19 11 34 o 13.708  4.3977 -1.6575  1.6984  16.137  7.0841 11.279  5.2131 4.857435       8.795492 
1 1 1 19 11 36 o 44.117  4.2432 20.841   1.7719  42.323  8.0652 45.911  2.6407 -3.587791      8.486483 
1 1 1 19 11 38 o 15.371  4.8670 -0.1334  1.6588  18.844  8.2401 11.898  5.1818 6.945648       9.733961 
1 1 1 19 11 40 o 30.466  6.7990 12.209   3.3969  33.790  8.2594 27.143  10.802 6.647337       13.59808 
1 1 1 19 11 42 o 17.629  5.8273 -2.0895  3.5459  16.853  7.8556 18.406  8.6094 -1.553452      11.65467 
1 1 1 19 11 44 o 20.063  6.2673 2.9575   3.2636  20.836  9.7869 19.290  7.8316 1.545078       12.53465 
1 1 1 19 12 1  o 373.328 2.4499 1395.10  12.932  368.010 3.4984 378.646 3.4306 -10.63644      4.899737 
1 1 1 19 12 3  f 50.675  2.5706 25.895   1.8181  55.915  3.3040 45.435  3.9390 10.47964       5.141243 
1 1 1 19 12 5  o 352.065 2.3598 1240.63  11.748  352.535 3.3080 351.596 3.3661 0.9393005      4.719504 
1 1 1 19 12 7  o 328.993 2.3084 1083.15  10.730  330.082 3.3406 327.905 3.1868 2.177734       4.616855 
1 1 1 19 12 9  o 224.608 2.0159 501.463  5.9877  228.133 3.3657 221.083 2.2196 7.050446       4.031754 
1 1 1 19 12 11 o 175.626 1.6754 308.172  3.9616  176.331 2.7502 174.922 1.9143 1.408936       3.350852 
1 1 1 19 12 13 o 256.028 2.0486 657.077  7.0922  255.023 3.3504 257.033 2.3584 -2.010788      4.097258 
1 1 1 19 12 15 o 113.745 1.7863 130.901  2.6256  111.137 3.0649 116.354 1.8359 -5.216454      3.572644 
1 1 1 19 12 17 o 255.954 2.4214 658.135  7.7962  254.530 4.2188 257.377 2.3777 -2.846863      4.842720 
1 1 1 19 12 19 o 239.311 2.2827 579.677  7.0447  234.050 3.9220 244.573 2.3369 -10.52299      4.565454 
1 1 1 19 12 21 o 168.256 1.7904 285.853  4.0212  164.481 2.9835 172.031 1.9800 -7.550034      3.580704 
1 1 1 19 12 23 f 132.679 1.7215 177.718  3.0296  130.009 2.8864 135.348 1.8768 -5.338959      3.442923 
1 1 1 19 12 25 o 58.393  2.6653 34.352   1.9328  57.984  4.6796 58.801  2.5528 -0.8164482     5.330564 
1 1 1 19 12 27 o 160.171 1.8576 258.197  4.0017  158.322 3.0631 162.020 2.1023 -3.698746      3.715134 
1 1 1 19 12 29 o 135.740 1.7378 185.165  3.1267  135.003 2.9079 136.478 1.9036 -1.474274      3.475577 
1 1 1 19 12 31 o 62.210  2.4967 38.280   2.0260  64.638  4.1979 59.782  2.7040 4.855293       4.993386 
1 1 1 19 12 33 o 32.341  4.5220 10.362   1.8210  35.498  7.6977 29.184  4.7477 6.313881       9.044076 
1 1 1 19 12 35 o 33.388  5.1109 12.462   2.0264  30.178  9.3629 36.599  4.1014 -6.420425      10.22182 
1 1 1 19 12 37 o 24.096  6.6880 4.0209   3.3281  18.452  8.0728 29.740  10.665 -11.28730      13.37603 
1 1 1 19 12 39 o 37.469  6.3752 17.234   3.3771  33.079  9.6840 41.860  8.2942 -8.780220      12.75050 
1 1 1 19 12 41 o 17.909  5.8849 -1.8390  3.4658  16.353  7.6023 19.466  8.9852 -3.112204      11.76982 
1 1 1 19 12 43 o 22.073  6.5159 6.3799   3.3817  19.501  8.5036 24.645  9.8751 -5.144447      13.03184 
1 1 1 19 13 0  o 194.781 2.3423 379.648  9.1217  194.781 2.3423 ?       ?      0.000000       0.000000 
1 1 1 19 13 2  o 160.519 1.5521 257.749  3.5207  155.647 2.2255 165.392 2.1642 -9.744659      3.104294 
1 1 1 19 13 4  f 162.614 1.5433 263.893  3.5390  157.932 2.1202 167.297 2.2431 -9.365173      3.086534 
1 1 1 19 13 6  o 72.419  1.8886 52.480   1.9336  72.460  2.6293 72.379  2.7120 0.8109283E-01  3.777295 
1 1 1 19 13 8  o 246.092 1.9248 605.851  6.6890  247.399 2.8003 244.784 2.6415 2.615005       3.849573 
1 1 1 19 13 10 o 191.229 1.8557 366.924  4.8837  189.367 2.9572 193.090 2.2424 -3.723221      3.711302 
1 1 1 19 13 12 o 87.223  1.8903 76.112   2.1748  87.305  3.1741 87.140  2.0538 0.1651306      3.780616 
1 1 1 19 13 14 o 166.349 1.9742 278.902  4.1910  164.104 3.4125 168.594 1.9861 -4.489319      3.948383 
1 1 1 19 13 16 o 208.248 1.8925 436.883  5.2894  204.606 3.1320 211.889 2.1252 -7.282684      3.784979 
1 1 1 19 13 18 o 187.878 1.7385 354.986  4.4878  184.598 2.7834 191.158 2.0839 -6.560593      3.477088 
1 1 1 19 13 20 o 175.461 1.7771 311.046  4.2529  170.038 2.8860 180.884 2.0746 -10.84628      3.554259 
1 1 1 19 13 22 o 129.465 1.7056 167.023  2.9030  130.895 2.8669 128.036 1.8487 2.859070       3.411273 
1 1 1 19 13 24 o 47.157  3.2648 24.100   1.8797  40.436  5.8537 53.877  2.8932 -13.44074      6.529641 
1 1 1 19 13 26 o 100.682 1.9139 102.719  2.4869  98.364  3.2868 103.000 1.9618 -4.636154      3.827725 
1 1 1 19 13 28 o 21.232  5.5616 3.5674   1.9494  24.050  9.1002 18.414  6.3961 5.635124       11.12315 
1 1 1 19 13 30 o 68.337  2.6213 46.839   2.0065  68.641  4.7941 68.033  2.1215 0.6083832      5.242537 
1 1 1 19 13 32 o 85.149  1.8994 72.744   2.0874  85.323  3.2478 84.975  1.9703 0.3488235      3.798728 
1 1 1 19 13 34 o 30.149  6.7135 9.8560   3.0922  30.292  8.0541 30.005  10.743 0.2865963      13.42697 
1 1 1 19 13 36 o 24.914  6.9662 5.0371   3.4639  23.808  8.8001 26.021  10.801 -2.212400      13.93232 
1 1 1 19 13 38 o 22.592  6.5566 3.8850   3.2280  21.013  8.4447 24.170  10.032 -3.156898      13.11322 
1 1 1 19 13 40 o 39.018  6.6496 19.753   3.6041  36.355  9.0711 41.681  9.7255 -5.326134      13.29928 
1 1 1 19 13 42 o 28.701  7.1265 12.640   3.7490  32.560  10.115 24.841  10.041 7.719303       14.25303 
1 1 1 19 14 1  o 13.612  4.2507 -1.3592  1.6449  12.338  5.7130 14.887  6.2955 -2.549083      8.501315 
1 1 1 19 14 3  o 153.705 1.4886 236.410  3.2289  153.215 2.1855 154.196 2.0218 -0.9812164     2.977248 
1 1 1 19 14 5  o 100.710 1.6824 101.422  2.3928  99.737  2.3154 101.682 2.4414 -1.944817      3.364743 
1 1 1 19 14 7  o 104.729 1.5988 109.759  2.3656  104.535 2.3196 104.924 2.2009 -0.3889694     3.197571 
1 1 1 19 14 9  o 158.232 1.6130 250.433  3.6025  159.213 2.3570 157.252 2.2028 1.961472       3.226082 
1 1 1 19 14 11 o 257.859 1.9399 665.568  7.0693  258.155 2.6836 257.563 2.8019 0.5919800      3.879710 
1 1 1 19 14 13 o 200.462 1.8724 401.675  5.1293  201.410 3.0097 199.515 2.2281 1.895737       3.744712 
1 1 1 19 14 15 o 191.943 1.9210 370.046  4.9317  190.236 3.1865 193.650 2.1465 -3.413834      3.842049 
1 1 1 19 14 17 o 171.907 1.8825 295.693  4.1747  172.076 3.2208 171.737 1.9498 0.3394012      3.765024 
1 1 1 19 14 19 o 114.918 2.0863 136.477  3.0416  107.745 3.6436 122.090 2.0333 -14.34561      4.172559 
1 1 1 19 14 21 o 52.669  3.1489 27.725   2.0384  53.086  5.5464 52.252  2.9832 0.8339653      6.297771 
1 1 1 19 14 23 o 140.089 2.0147 195.082  3.5570  142.104 3.4939 138.074 2.0070 4.030136       4.029331 
1 1 1 19 14 25 o 120.452 1.7793 146.219  2.8922  118.423 2.9250 122.481 2.0268 -4.057915      3.558643 
1 1 1 19 14 27 o 18.576  5.3975 1.4098   1.9957  20.260  8.7446 16.893  6.3295 3.367121       10.79493 
1 1 1 19 14 29 o 65.597  3.2416 44.133   2.2801  64.295  6.0161 66.899  2.4163 -2.604141      6.483251 
1 1 1 19 14 31 o 86.785  2.0704 75.133   2.2414  87.852  3.6144 85.717  2.0206 2.134315       4.140798 
1 1 1 19 14 33 o 40.240  6.3751 19.283   3.5355  49.189  5.8684 31.290  11.319 17.89970       12.75012 
1 1 1 19 14 35 o 21.683  6.5665 1.1462   3.4039  17.977  7.9550 25.389  10.450 -7.411526      13.13301 
1 1 1 19 14 37 o 59.815  4.3783 37.829   3.5003  57.854  4.9895 61.776  7.1960 -3.921951      8.756526 
1 1 1 19 14 39 o 18.668  5.9958 -1.0638  3.5179  17.329  8.1407 20.007  8.8049 -2.678759      11.99152 
1 1 1 19 14 41 o 22.202  6.4118 5.0804   2.7712  17.476  7.2495 26.928  10.578 -9.451746      12.82368 
1 1 1 19 15 0  o 47.860  3.6612 23.324   3.4639  47.860  3.6612 ?       ?      0.000000       0.000000 
1 1 1 19 15 2  o 239.271 2.1693 574.701  7.2702  235.018 3.3163 243.524 2.7974 -8.505600      4.338590 
1 1 1 19 15 4  o 296.538 2.2302 880.475  9.3526  296.256 3.1569 296.820 3.1509 -0.5645752     4.460354 
1 1 1 19 15 6  o 228.444 2.1903 522.867  6.9003  227.839 3.4715 229.049 2.6718 -1.210220      4.380552 
1 1 1 19 15 8  o 161.004 1.6106 259.406  3.6640  160.804 2.3336 161.203 2.2204 -0.3993988     3.221211 
1 1 1 19 15 10 o 81.162  1.7619 65.953   2.0190  81.662  2.4037 80.662  2.5766 0.9997406      3.523747 
1 1 1 19 15 12 o 128.738 1.4904 165.180  2.6938  125.090 1.9846 132.385 2.2241 -7.294899      2.980765 
1 1 1 19 15 14 o 140.393 1.9173 196.758  3.5355  141.264 3.2286 139.522 2.0689 1.742218       3.834631 
1 1 1 19 15 16 o 119.730 1.7708 142.154  2.7813  122.231 2.9756 117.229 1.9206 5.001595       3.541644 
1 1 1 19 15 18 o 240.345 2.0900 578.033  6.9066  241.295 3.3257 239.396 2.5322 1.899399       4.179981 
1 1 1 19 15 20 o 158.639 1.9712 251.830  4.1329  159.082 3.3025 158.195 2.1532 0.8875580      3.942389 
1 1 1 19 15 22 f 163.185 1.8015 267.912  4.0177  160.809 2.9080 165.562 2.1271 -4.752441      3.602914 
1 1 1 19 15 24 o 74.484  2.7951 56.076   2.6298  73.614  4.8624 75.353  2.7582 -1.738899      5.590180 
1 1 1 19 15 26 o 44.787  3.7477 20.582   2.0724  43.611  6.6191 45.964  3.5169 -2.352966      7.495368 
1 1 1 19 15 28 o 83.782  3.0293 73.359   2.7340  80.006  5.6285 87.559  2.2418 -7.553352      6.058512 
1 1 1 19 15 30 o 26.726  6.2586 6.0150   2.0194  33.144  10.945 20.307  6.0730 12.83739       12.51721 
1 1 1 19 15 32 o 17.577  5.6121 -2.6379  2.9843  17.934  7.9128 17.221  7.9607 0.7137508      11.22428 
1 1 1 19 15 34 o 68.292  4.2853 47.276   3.9515  61.612  5.2473 74.971  6.7765 -13.35896      8.570628 
1 1 1 19 15 36 o 80.106  3.4931 67.615   3.8608  83.509  4.2171 76.703  5.5698 6.806541       6.986173 
1 1 1 19 15 38 o 37.683  6.5686 19.370   3.9657  48.263  7.4164 27.103  10.843 21.15986       13.13714 
1 1 1 19 15 40 o 22.542  6.8641 4.4692   4.1228  24.959  10.151 20.125  9.2426 4.834465       13.72821 
1 1 1 19 16 1  o 257.655 1.9171 664.448  6.9851  258.840 2.7211 256.469 2.7013 2.371124       3.834216 
1 1 1 19 16 3  o 140.880 1.5729 199.260  3.1079  144.368 2.0395 137.391 2.3952 6.976242       3.145833 
1 1 1 19 16 5  o 107.101 1.8027 113.806  2.6348  110.051 2.8853 104.150 2.1618 5.900185       3.605331 
1 1 1 19 16 7  o 115.849 1.7796 134.313  2.9152  117.168 2.5129 114.529 2.5204 2.639221       3.559118 
1 1 1 19 16 9  o 70.404  2.2716 49.721   2.2382  71.069  2.9244 69.740  3.4769 1.328911       4.543226 
1 1 1 19 16 11 o 104.220 1.6672 108.230  2.4261  101.792 2.1552 106.648 2.5443 -4.856567      3.334397 
1 1 1 19 16 13 o 97.337  1.8679 94.879   2.5662  96.948  2.7393 97.727  2.5402 -0.7784576     3.735840 
1 1 1 19 16 15 o 106.272 1.9517 113.057  2.7035  106.321 3.3123 106.224 2.0653 0.9692383E-01  3.903428 
1 1 1 19 16 17 o 19.664  5.0901 3.0815   1.7825  21.803  7.8542 17.525  6.4769 4.278200       10.18027 
1 1 1 19 16 19 o 245.584 2.2759 605.688  7.4220  244.559 3.8007 246.610 2.5049 -2.050949      4.551895 
1 1 1 19 16 21 o 181.574 1.9407 331.225  4.6924  180.342 3.2333 182.807 2.1475 -2.464966      3.881486 
1 1 1 19 16 23 o 56.635  3.7407 34.860   2.4097  50.338  6.8814 62.931  2.9356 -12.59317      7.481377 
1 1 1 19 16 25 o 99.310  2.2433 101.070  2.7375  95.824  3.9764 102.797 2.0780 -6.973175      4.486618 
1 1 1 19 16 27 o 70.635  3.3153 52.953   2.4915  66.258  6.1864 75.013  2.3859 -8.754303      6.630517 
1 1 1 19 16 29 o 97.013  2.5028 96.910   2.7012  94.034  4.6046 99.991  1.9631 -5.956360      5.005610 
1 1 1 19 16 31 o 42.836  6.5502 21.335   3.7171  50.267  6.0871 35.405  11.600 14.86216       13.10045 
1 1 1 19 16 33 o 46.575  5.9196 23.964   3.7319  46.971  7.1288 46.179  9.4523 0.7920914      11.83919 
1 1 1 19 16 35 f 42.441  6.5189 20.866   3.7608  36.084  9.1123 48.799  9.3248 -12.71512      13.03782 
1 1 1 19 16 37 o 25.623  6.9842 7.6961   3.5040  22.447  8.9898 28.800  10.691 -6.352516      13.96843 
1 1 1 19 16 39 o 31.638  6.3005 13.719   3.0424  27.554  9.6495 35.722  8.1037 -8.167601      12.60090 
1 1 1 19 16 41 o 17.922  6.0613 -3.2238  4.3586  18.401  8.7274 17.443  8.4137 0.9580536      12.12261 
1 1 1 19 17 0  o 269.500 2.8498 726.965  15.357  269.500 2.8498 ?       ?      0.000000       0.000000 
1 1 1 19 17 2  o 82.399  1.7443 68.996   1.9813  76.544  2.7907 88.255  2.0933 -11.71085      3.488523 
1 1 1 19 17 4  o 128.815 1.7724 165.854  3.1456  129.493 2.8087 128.137 2.1627 1.356796       3.544867 
1 1 1 19 17 6  o 184.270 1.7172 339.897  4.4741  185.414 2.3975 183.125 2.4590 2.289230       3.434399 
1 1 1 19 17 8  o 132.258 1.8391 175.182  3.4290  132.984 2.4745 131.532 2.7213 1.451599       3.678169 
1 1 1 19 17 10 o 181.574 2.1038 330.959  5.2427  183.213 2.5209 179.935 3.3689 3.277725       4.207684 
1 1 1 19 17 12 o 115.868 1.5327 134.352  2.5110  114.025 2.1771 117.710 2.1580 -3.684875      3.065454 
1 1 1 19 17 14 o 199.685 1.8878 400.107  5.2957  196.374 2.8517 202.996 2.4743 -6.621246      3.775500 
1 1 1 19 17 16 o 152.900 1.7472 236.445  3.6967  145.895 2.7700 159.905 2.1301 -14.00925      3.494322 
1 1 1 19 17 18 o 127.132 1.7493 164.424  2.9901  121.379 2.9014 132.885 1.9550 -11.50674      3.498608 
1 1 1 19 17 20 o 287.952 2.3211 833.010  9.2727  285.735 3.6369 290.169 2.8849 -4.433716      4.642163 
1 1 1 19 17 22 o 210.014 1.9630 442.880  5.6757  208.854 3.1236 211.173 2.3785 -2.319794      3.926068 
1 1 1 19 17 24 o 94.944  2.3551 91.530   2.8305  93.003  4.0970 96.884  2.3240 -3.881721      4.710234 
1 1 1 19 17 26 o 30.206  5.8768 9.2752   2.2814  32.229  10.039 28.183  6.1123 4.045454       11.75360 
1 1 1 19 17 28 o 107.854 2.1845 119.716  2.9237  103.312 3.8558 112.397 2.0546 -9.084900      4.369070 
1 1 1 19 17 30 o 95.669  2.5972 90.033   3.1030  100.045 4.5011 91.293  2.5928 8.752434       5.194438 
1 1 1 19 17 32 o 70.622  3.3552 51.285   3.3395  70.196  4.5234 71.048  4.9568 -0.8512726     6.710501 
1 1 1 19 17 34 o 27.463  6.6806 8.1403   3.2474  29.933  8.3612 24.993  10.422 4.939775       13.36114 
1 1 1 19 17 36 f 20.762  6.6726 0.2866   3.7885  17.373  7.8740 24.151  10.775 -6.778080      13.34515 
1 1 1 19 17 38 o 30.772  6.7297 13.189   3.4630  36.640  9.2816 24.904  9.7471 11.73542       13.45936 
1 1 1 19 17 40 o 21.909  6.7821 6.0744   3.9158  20.584  8.9699 23.234  10.175 -2.649786      13.56423 
1 1 1 19 18 1  o 217.050 1.8617 471.239  5.7102  213.320 2.5981 220.780 2.6672 -7.460678      3.723479 
1 1 1 19 18 3  o 145.298 1.8410 212.331  3.7304  141.453 2.8570 149.143 2.3226 -7.690765      3.681921 
1 1 1 19 18 5  o 110.082 1.6884 121.172  2.6189  111.100 2.4943 109.064 2.2762 2.034935       3.376750 
1 1 1 19 18 7  o 64.637  2.8164 42.163   2.5074  66.352  3.3934 62.921  4.4959 3.430580       5.632753 
1 1 1 19 18 9  o 42.965  2.9919 18.485   1.8144  41.829  4.1405 44.101  4.3200 -2.271210      5.983879 
1 1 1 19 18 11 o 18.661  5.0569 2.2915   1.8652  20.439  7.5204 16.883  6.7626 3.556002       10.11385 
1 1 1 19 18 13 o 58.141  2.5010 33.760   2.0393  52.344  3.6397 63.939  3.4311 -11.59477      5.002027 
1 1 1 19 18 15 o 64.492  2.3731 41.655   2.1615  62.843  3.3072 66.140  3.4042 -3.297150      4.746213 
1 1 1 19 18 17 o 22.872  6.0531 3.7794   2.5497  22.771  9.5270 22.973  7.4697 -0.2017670     12.10623 
1 1 1 19 18 19 o 108.185 1.9862 119.475  2.8719  102.627 3.3190 113.744 2.1825 -11.11741      3.972320 
1 1 1 19 18 21 o 72.601  2.8873 56.320   2.3733  66.318  5.3103 78.885  2.2687 -12.56754      5.774658 
1 1 1 19 18 23 o 87.529  2.4768 77.342   2.7225  86.836  4.3215 88.222  2.4213 -1.386391      4.953562 
1 1 1 19 18 25 o 64.876  3.0385 43.729   2.4590  61.460  5.3542 68.292  2.8743 -6.831738      6.076955 
1 1 1 19 18 27 o 36.249  6.6037 13.841   2.7414  34.943  12.257 37.554  4.9194 -2.611130      13.20746 
1 1 1 19 18 29 o 28.803  5.7368 8.6815   2.2407  26.248  10.341 31.359  4.9707 -5.111517      11.47364 
1 1 1 19 18 31 o 32.030  6.3868 11.742   3.0699  35.143  7.7644 28.917  10.143 6.226068       12.77361 
1 1 1 19 18 33 o 26.732  7.2747 7.0571   3.7224  23.753  9.1965 29.710  11.274 -5.957420      14.54931 
1 1 1 19 18 35 o 20.441  6.3872 -1.9768  3.7904  14.809  7.2069 26.073  10.547 -11.26451      12.77441 
1 1 1 19 18 37 o 25.897  6.7749 8.2743   3.4868  30.899  10.168 20.894  8.9559 10.00568       13.54981 
1 1 1 19 18 39 o 16.629  5.5925 -2.5984  3.4658  15.244  7.2477 18.014  8.5192 -2.769628      11.18507 
1 1 1 19 19 0  o 122.812 2.1639 151.028  5.3114  122.812 2.1639 ?       ?      0.000000       0.000000 
1 1 1 19 19 2  o 95.013  1.9036 90.858   2.5389  89.967  2.8877 100.059 2.4810 -10.09190      3.807125 
1 1 1 19 19 4  o 178.439 1.7162 318.689  4.3268  177.910 2.3689 178.967 2.4839 -1.057724      3.432400 
1 1 1 19 19 6  o 149.707 1.9218 223.569  4.0454  145.153 2.5853 154.261 2.8443 -9.107758      3.843656 
1 1 1 19 19 8  o 74.685  2.1632 55.937   2.2771  75.617  2.9012 73.752  3.2094 1.865189       4.326376 
1 1 1 19 19 10 o 133.425 1.6371 178.223  3.0884  135.587 2.2993 131.263 2.3311 4.324020       3.274235 
1 1 1 19 19 12 o 111.403 1.8317 124.138  2.8820  114.479 2.6224 108.327 2.5581 6.151688       3.663468 
1 1 1 19 19 14 o 140.186 1.7652 196.921  3.4811  140.530 2.3417 139.842 2.6422 0.6872559      3.530501 
1 1 1 19 19 16 o 192.784 1.7370 372.373  4.7340  195.659 2.4195 189.910 2.4928 5.749725       3.473926 
1 1 1 19 19 18 o 95.097  2.4561 89.923   3.2087  98.198  3.8802 91.995  3.0123 6.203346       4.912244 
1 1 1 19 19 20 o 45.693  3.8262 19.426   2.2695  54.173  6.0745 37.214  4.6541 16.95945       7.652452 
1 1 1 19 19 22 o 120.682 2.5524 148.165  3.5786  118.619 4.6237 122.745 2.1636 -4.126801      5.104859 
1 1 1 19 19 24 o 59.976  3.2543 37.154   2.3811  57.841  5.7891 62.110  2.9745 -4.268734      6.508515 
1 1 1 19 19 26 o 49.078  5.4762 29.081   2.6241  39.794  10.455 58.362  3.2644 -18.56781      10.95249 
1 1 1 19 19 28 o 56.178  4.4193 34.388   2.5326  52.003  8.3263 60.354  2.9653 -8.351101      8.838598 
1 1 1 19 19 30 o 47.278  5.2961 24.428   3.4052  51.696  6.4772 42.859  8.3811 8.837582       10.59229 
1 1 1 19 19 32 o 39.294  6.5342 18.650   3.6807  46.024  7.0246 32.563  11.020 13.46132       13.06849 
1 1 1 19 19 34 o 29.051  6.1411 9.2152   3.5052  37.858  8.0221 20.244  9.3004 17.61415       12.28216 
1 1 1 19 19 36 o 35.951  6.2516 16.488   3.1238  39.877  9.1631 32.025  8.5070 7.851547       12.50325 
1 1 1 19 19 38 o 18.425  6.0772 -0.4687  3.8035  17.479  8.0329 19.371  9.1214 -1.891750      12.15433 
1 1 1 19 20 1  o 100.732 2.1237 100.659  2.9977  107.677 3.1097 93.787  2.8932 13.89069       4.247453 
1 1 1 19 20 3  o 186.129 1.8411 345.540  4.8248  193.013 2.6920 179.245 2.5123 13.76756       3.682161 
1 1 1 19 20 5  o 214.184 2.0383 459.610  6.0129  214.340 2.4780 214.028 3.2369 0.3125916      4.076525 
1 1 1 19 20 7  o 285.877 2.3546 818.302  9.3410  284.227 2.9452 287.526 3.6744 -3.299866      4.709146 
1 1 1 19 20 9  o 177.857 1.7573 316.750  4.4073  178.364 2.5894 177.351 2.3763 1.013016       3.514552 
1 1 1 19 20 11 o 124.550 1.6405 155.392  2.8820  124.905 2.2186 124.195 2.4172 0.7100601      3.281049 
1 1 1 19 20 13 f 117.788 1.8372 138.932  3.0555  116.816 2.5205 118.759 2.6737 -1.943245      3.674455 
1 1 1 19 20 15 o 162.904 1.7313 266.030  3.9802  161.071 2.5448 164.737 2.3480 -3.666107      3.462568 
1 1 1 19 20 17 o 127.242 1.8137 162.318  3.2596  127.726 2.4860 126.758 2.6416 0.9685669      3.627453 
1 1 1 19 20 19 o 29.899  6.1120 9.3988   2.7712  26.987  9.8546 32.811  7.2328 -5.823757      12.22405 
1 1 1 19 20 21 o 63.610  3.5340 41.952   2.6172  61.228  6.4117 65.992  2.9744 -4.763840      7.068055 
1 1 1 19 20 23 o 53.616  4.4305 29.068   2.6567  54.160  8.1013 53.071  3.5898 1.088497       8.861024 
1 1 1 19 20 25 o 73.890  3.1311 56.578   2.6942  71.148  5.6801 76.633  2.6368 -5.484543      6.262257 
1 1 1 19 20 27 o 37.135  5.7935 15.729   2.4350  33.152  10.794 41.118  4.2122 -7.966145      11.58705 
1 1 1 19 20 29 o 16.732  5.3686 -0.8083  2.1443  19.946  8.9726 13.518  5.8976 6.428085       10.73728 
1 1 1 19 20 31 o 48.775  5.9850 27.787   3.8370  55.769  6.3147 41.782  10.169 13.98755       11.96995 
1 1 1 19 20 33 o 34.213  6.7412 15.126   3.7608  41.778  8.1681 26.648  10.726 15.12934       13.48237 
1 1 1 19 20 35 o 33.019  6.5370 14.431   3.1585  34.641  9.5363 31.396  8.9438 3.245102       13.07410 
1 1 1 19 20 37 o 23.539  7.0736 7.3348   4.0695  23.064  9.5803 24.015  10.410 -0.9512081     14.14723 
1 1 1 19 21 0  o 194.406 2.9415 378.608  11.431  194.406 2.9415 ?       ?      0.000000       0.000000 
1 1 1 19 21 2  o 128.074 1.7054 163.913  3.0819  134.241 2.4084 121.907 2.4152 12.33350       3.410810 
1 1 1 19 21 4  o 83.651  2.1750 70.141   2.5610  83.628  2.8995 83.674  3.2429 -0.4619598E-01 4.350060 
1 1 1 19 21 6  o 36.506  4.7623 13.946   2.3544  39.611  5.5384 33.401  7.7487 6.210678       9.524512 
1 1 1 19 21 8  o 74.565  2.6183 55.520   2.5906  75.473  4.3602 73.657  2.9001 1.815659       5.236552 
1 1 1 19 21 10 o 64.876  2.4933 42.330   2.2771  66.309  3.3085 63.444  3.7309 2.865147       4.986548 
1 1 1 19 21 12 o 54.137  2.8302 29.397   2.1553  53.513  3.7759 54.761  4.2170 -1.247528      5.660479 
1 1 1 19 21 14 o 104.906 1.8715 110.442  2.7712  108.676 2.5499 101.136 2.7400 7.539444       3.742966 
1 1 1 19 21 16 o 92.765  2.0277 86.359   2.6544  97.271  2.7896 88.260  2.9435 9.010765       4.055366 
1 1 1 19 21 18 o 36.539  4.4832 13.964   2.1923  38.201  5.1384 34.878  7.3480 3.323193       8.966402 
1 1 1 19 21 20 o 34.263  5.6573 12.059   2.6737  42.208  8.0848 26.317  7.9157 15.89165       11.31468 
1 1 1 19 21 22 o 28.701  5.8502 7.5164   2.4583  38.159  9.1766 19.243  7.2588 18.91624       11.70044 
1 1 1 19 21 24 o 24.087  5.8833 4.8381   2.4808  21.928  9.6206 26.246  6.7748 -4.318270      11.76668 
1 1 1 19 21 26 o 32.559  5.7746 11.862   2.6298  28.522  10.056 36.597  5.6791 -8.074579      11.54919 
1 1 1 19 21 28 o 26.796  6.3045 7.3103   2.6101  25.919  10.662 27.673  6.7311 -1.754309      12.60901 
1 1 1 19 21 30 o 44.201  5.5406 21.754   3.1196  44.706  5.6821 43.695  9.5135 1.010624       11.08121 
1 1 1 19 21 32 f 45.000  6.3967 25.384   3.8842  52.097  6.7599 37.903  10.862 14.19355       12.79330 
1 1 1 19 21 34 o 22.098  6.7265 3.6523   3.8286  19.745  8.8597 24.451  10.124 -4.705914      13.45309 
1 1 1 19 21 36 o 22.138  6.6441 5.2350   3.7446  24.392  9.7413 19.884  9.0378 4.507433       13.28814 
1 1 1 19 22 1  o 149.971 2.1647 224.812  4.4724  148.238 2.6483 151.705 3.4250 -3.467926      4.329455 
1 1 1 19 22 3  o 199.768 2.0678 398.771  5.7738  196.205 2.6776 203.332 3.1516 -7.126831      4.135520 
1 1 1 19 22 5  o 105.022 1.7486 110.287  2.5928  101.512 2.4455 108.532 2.5001 -7.019882      3.497282 
1 1 1 19 22 7  o 188.865 1.8377 357.054  4.8964  190.912 2.6914 186.819 2.5031 4.093002       3.675485 
1 1 1 19 22 9  o 268.797 2.4124 724.502  9.0161  269.369 3.7507 268.224 3.0349 1.144318       4.824725 
1 1 1 19 22 11 o 151.691 1.8034 230.597  3.8672  152.000 2.5068 151.382 2.5933 0.6183929      3.606833 
1 1 1 19 22 13 o 15.451  4.8655 -1.6627  2.1553  15.702  6.8466 15.200  6.9149 0.5020266      9.730952 
1 1 1 19 22 15 o 15.176  4.7855 -2.3655  2.1221  12.245  5.8379 18.107  7.5844 -5.862213      9.571029 
1 1 1 19 22 17 o 104.804 2.0251 110.091  2.9921  107.201 2.9620 102.407 2.7624 4.794052       4.050201 
1 1 1 19 22 19 o 82.052  2.1224 68.391   2.4028  85.649  2.5614 78.455  3.3850 7.193893       4.244857 
1 1 1 19 22 21 o 66.915  3.1708 44.167   2.8677  71.826  5.0638 62.003  3.8176 9.822800       6.341607 
1 1 1 19 22 23 o 21.355  5.6539 3.2540   2.3513  20.005  8.6910 22.704  7.2342 -2.699162      11.30787 
1 1 1 19 22 25 o 31.991  6.0791 10.969   2.5980  33.938  10.030 30.043  6.8719 3.895424       12.15810 
1 1 1 19 22 27 f 23.192  6.0607 4.8568   2.4114  24.226  9.8052 22.158  7.1264 2.067699       12.12137 
1 1 1 19 22 29 o 37.603  5.9964 15.923   2.3790  36.336  11.249 38.869  4.1588 -2.533562      11.99287 
1 1 1 19 22 31 o 26.944  6.9676 8.8303   3.4823  28.117  9.0513 25.770  10.595 2.346479       13.93517 
1 1 1 19 22 33 o 21.661  6.7715 3.0232   3.9160  20.391  8.7723 22.931  10.318 -2.540213      13.54294 
1 1 1 19 22 35 o 21.021  6.4941 3.7069   3.7638  22.174  9.1022 19.868  9.2650 2.305561       12.98814 
1 1 1 19 23 0  o 295.505 3.2831 874.875  19.398  295.505 3.2831 ?       ?      0.000000       0.000000 
1 1 1 19 23 2  o 168.462 2.8527 280.735  5.6942  164.888 2.5559 172.035 5.1009 -7.147263      5.705418 
1 1 1 19 23 4  o 108.972 1.8582 118.933  2.8435  108.643 2.4444 109.301 2.7994 -0.6581421     3.716461 
1 1 1 19 23 6  o 133.771 1.8318 179.374  3.4639  136.080 2.5455 131.463 2.6349 4.617828       3.663662 
1 1 1 19 23 8  o 42.253  3.8577 18.354   2.2456  46.169  4.6267 38.337  6.1742 7.831509       7.715374 
1 1 1 19 23 10 o 41.858  5.2923 17.811   2.9509  44.399  8.4950 39.316  6.3141 5.082500       10.58458 
1 1 1 19 23 12 o 63.334  2.8787 40.343   2.5428  62.834  3.6752 63.833  4.4317 -0.9994812     5.757340 
1 1 1 19 23 14 o 21.930  5.9288 3.5599   2.5610  21.163  8.1285 22.697  8.6331 -1.534082      11.85762 
1 1 1 19 23 16 o 60.895  3.0132 37.250   2.5774  57.874  4.0900 63.917  4.4259 -6.043617      6.026301 
1 1 1 19 23 18 o 138.751 1.9306 193.526  3.7707  138.278 2.8808 139.224 2.5710 -0.9459839     3.861210 
1 1 1 19 23 20 o 120.265 1.9378 145.532  3.2897  117.782 2.8429 122.748 2.6339 -4.965698      3.875501 
1 1 1 19 23 22 o 25.307  6.4171 4.5031   3.0903  32.844  10.194 17.770  7.7978 15.07351       12.83419 
1 1 1 19 23 24 o 36.297  6.0947 14.575   2.8220  34.175  10.848 38.420  5.5599 -4.244801      12.18940 
1 1 1 19 23 26 o 57.075  4.3011 35.691   2.8580  52.304  7.8368 61.845  3.5473 -9.540577      8.602278 
1 1 1 19 23 28 o 44.759  5.8647 24.365   2.8325  38.457  11.001 51.061  4.0703 -12.60370      11.72944 
1 1 1 19 23 30 o 24.317  4.9860 6.9114   2.0244  19.338  8.3030 29.296  5.5229 -9.958504      9.972094 
1 1 1 19 23 32 o 21.771  6.6525 3.5724   3.7636  19.054  8.6251 24.488  10.131 -5.434128      13.30495 
1 1 1 19 23 34 o 18.688  6.0479 0.6561   3.5839  18.764  8.2618 18.612  8.8348 0.1520691      12.09588 
1 1 1 19 24 1  o 25.621  5.9188 6.4929   2.4489  25.538  7.8404 25.704  8.8690 -0.1659222     11.83766 
1 1 1 19 24 3  o 75.347  2.8368 56.231   2.9691  69.782  3.7229 80.911  4.2812 -11.12866      5.673502 
1 1 1 19 24 5  f 81.108  2.4415 66.109   2.7997  81.432  3.4030 80.783  3.5018 0.6486969      4.882955 
1 1 1 19 24 7  o 87.660  2.2118 77.110   2.7396  86.256  3.0788 89.064  3.1762 -2.808540      4.423532 
1 1 1 19 24 9  o 27.106  5.6815 7.6834   2.3207  27.055  7.5895 27.157  8.4569 -0.1018410     11.36305 
1 1 1 19 24 11 o 71.636  3.4430 51.918   3.3281  71.644  5.6408 71.628  3.9494 0.1575470E-01  6.885913 
1 1 1 19 24 13 o 32.120  5.4046 11.107   2.4234  33.512  7.2676 30.728  8.0013 2.784119       10.80923 
1 1 1 19 24 15 o 66.363  2.8280 44.322   2.6444  62.885  3.9476 69.841  4.0505 -6.955448      5.655989 
1 1 1 19 24 17 o 67.935  2.8823 46.402   2.7519  65.317  3.8890 70.553  4.2551 -5.235657      5.764570 
1 1 1 19 24 19 o 131.837 2.0893 174.545  3.8865  126.541 2.9199 137.133 2.9891 -10.59200      4.178545 
1 1 1 19 24 21 o 64.763  2.8915 42.029   2.6105  58.763  3.9298 70.762  4.2425 -11.99838      5.782934 
1 1 1 19 24 23 o 38.723  6.6545 16.825   3.3340  37.710  11.673 39.735  6.3928 -2.025101      13.30905 
1 1 1 19 24 25 o 70.545  3.0800 50.973   2.8422  70.980  5.2055 70.110  3.2938 0.8696518      6.160079 
1 1 1 19 24 27 o 37.719  6.0523 17.490   2.5707  32.532  11.363 42.906  4.1712 -10.37459      12.10460 
1 1 1 19 24 29 o 23.501  6.4506 5.9105   2.5794  27.137  10.703 19.866  7.2024 7.270710       12.90114 
1 1 1 19 24 31 o 19.958  6.4486 0.2341   4.0595  19.912  8.7807 20.004  9.4465 -0.9164810E-01 12.89719 
1 1 1 19 24 33 o 21.576  6.3884 5.1548   3.3817  25.767  10.005 17.385  7.9471 8.381477       12.77677 
1 1 1 19 25 0  o 64.199  4.5421 42.029   5.7732  64.199  4.5421 ?       ?      0.000000       0.000000 
1 1 1 19 25 2  o 73.726  2.6624 54.769   2.7663  73.079  3.9500 74.373  3.5707 -1.294716      5.324729 
1 1 1 19 25 4  o 84.958  2.4928 72.569   2.9258  84.752  3.0654 85.164  3.9318 -0.4126205     4.985510 
1 1 1 19 25 6  o 58.196  3.0856 34.105   2.5284  56.599  4.1821 59.793  4.5380 -3.193993      6.171161 
1 1 1 19 25 8  o 98.098  2.1876 96.659   3.0175  97.368  2.9053 98.828  3.2713 -1.459595      4.375237 
1 1 1 19 25 10 o 139.440 1.9468 195.277  3.8372  138.047 2.7183 140.833 2.7876 -2.785904      3.893569 
1 1 1 19 25 12 o 115.520 2.0489 133.909  3.3395  118.635 2.9685 112.405 2.8249 6.230919       4.097774 
1 1 1 19 25 14 o 23.524  6.0763 4.7316   2.6693  24.875  8.4004 22.173  8.7816 2.701740       12.15251 
1 1 1 19 25 16 o 18.011  5.3482 0.8111   2.2573  17.232  7.0862 18.791  8.0125 -1.559074      10.69646 
1 1 1 19 25 18 o 36.165  5.3339 13.946   2.6105  31.936  7.3746 40.394  7.7083 -8.458687      10.66781 
1 1 1 19 25 20 o 52.154  3.5594 28.228   2.5298  54.528  4.1292 49.779  5.7988 4.748165       7.118739 
1 1 1 19 25 22 o 57.271  3.0484 33.754   2.4506  59.689  3.9656 54.853  4.6310 4.836365       6.096894 
1 1 1 19 25 24 o 29.507  6.5240 9.9290   3.1859  25.589  10.608 33.424  7.5975 -7.834625      13.04803 
1 1 1 19 25 26 o 38.317  6.2118 17.123   2.9378  37.137  11.113 39.498  5.5543 -2.361149      12.42368 
1 1 1 19 25 28 o 21.275  6.7505 2.6268   2.9443  26.535  11.628 16.016  6.8607 10.51968       13.50100 
1 1 1 19 25 30 o 17.475  5.1636 1.6362   2.1966  16.559  7.6610 18.392  6.9252 -1.832638      10.32710 
1 1 1 19 25 32 o 18.319  6.0893 -0.4948  3.9588  17.389  8.1155 19.248  9.0805 -1.859303      12.17854 
1 1 1 19 26 1  o 75.767  2.6386 57.624   2.8100  78.458  3.8999 73.076  3.5552 5.382439       5.277186 
1 1 1 19 26 3  o 35.514  5.3032 13.683   2.6189  29.449  8.7663 41.578  5.9706 -12.12906      10.60646 
1 1 1 19 26 5  o 30.901  5.6850 10.130   2.7973  39.287  7.1729 22.515  8.8220 16.77282       11.37004 
1 1 1 19 26 7  o 56.081  3.3919 31.941   2.6768  56.384  4.5053 55.778  5.0717 0.6054306      6.783741 
1 1 1 19 26 9  o 75.148  2.7708 57.040   2.9443  75.839  3.8823 74.456  3.9545 1.382843       5.541689 
1 1 1 19 26 11 o 76.351  2.5454 58.814   2.7347  76.912  3.3778 75.789  3.8088 1.123795       5.090803 
1 1 1 19 26 13 o 78.811  2.5139 62.708   2.7973  79.054  3.4324 78.568  3.6740 0.4853745      5.027874 
1 1 1 19 26 15 o 78.310  2.6811 61.373   2.9393  71.186  3.7306 85.434  3.8518 -14.24751      5.362253 
1 1 1 19 26 17 o 18.007  5.5292 -0.2639  2.6240  18.336  7.8280 17.678  7.8110 0.6575737      11.05844 
1 1 1 19 26 19 o 20.827  5.4247 3.2202   2.3093  24.239  7.6680 17.415  7.6754 6.824339       10.84943 
1 1 1 19 26 21 o 38.274  4.4330 15.725   2.3349  39.394  5.7154 37.153  6.7779 2.241875       8.865965 
1 1 1 19 26 23 o 49.584  3.5280 26.054   2.4028  52.421  4.1850 46.748  5.6809 5.673359       7.055979 
1 1 1 19 26 25 o 40.195  6.5474 19.631   3.4026  40.202  11.305 40.188  6.6082 0.1459503E-01  13.09490 
1 1 1 19 26 27 o 18.329  5.6720 -0.3794  2.8041  17.897  8.6913 18.760  7.2903 -0.8625584     11.34409 
1 1 1 19 26 29 o 17.595  5.5090 1.0542   2.5038  20.100  8.7509 15.090  6.6945 5.010083       11.01792 
1 1 1 19 26 31 o 22.236  6.7178 5.2953   4.0212  24.461  9.5835 20.011  9.4166 4.450638       13.43558 
1 1 1 19 27 0  o 70.463  4.2098 50.458   5.8887  70.463  4.2098 ?       ?      0.000000       0.000000 
1 1 1 19 27 2  o 77.360  2.6086 59.937   2.8341  81.739  3.8140 72.980  3.5598 8.758606       5.217170 
1 1 1 19 27 4  o 79.191  2.6839 63.288   3.0010  75.851  3.8817 82.531  3.7075 -6.679543      5.367816 
1 1 1 19 27 6  o 80.577  2.9417 65.814   3.1895  81.336  3.3361 79.819  4.8461 1.517357       5.883326 
1 1 1 19 27 8  o 82.750  2.4661 68.901   2.8762  84.766  3.6097 80.735  3.3609 4.031158       4.932121 
1 1 1 19 27 10 o 49.261  4.0447 24.948   2.7603  41.953  6.1925 56.568  5.2050 -14.61470      8.089388 
1 1 1 19 27 12 o 53.709  3.3895 29.475   2.5662  52.812  5.0286 54.605  4.5462 -1.793762      6.779015 
1 1 1 19 27 14 o 102.680 2.2674 106.562  3.2867  102.550 3.0963 102.809 3.3131 -0.2593613     4.534759 
1 1 1 19 27 16 f 62.236  3.9312 41.345   3.1022  66.508  3.8194 57.965  6.8723 8.542912       7.862399 
1 1 1 19 27 18 o 31.838  6.3845 11.338   3.0560  26.367  8.8754 37.308  9.1803 -10.94115      12.76909 
1 1 1 19 27 20 o 32.362  5.8343 11.986   2.6147  31.114  7.3455 33.610  9.0664 -2.496359      11.66855 
1 1 1 19 27 22 o 31.846  5.8868 11.952   2.6594  31.343  7.7660 32.348  8.8491 -1.005169      11.77358 
1 1 1 19 27 24 o 37.759  4.6661 16.407   2.3677  39.443  5.4156 36.074  7.6000 3.369511       9.332155 
1 1 1 19 27 26 o 23.113  6.9334 5.5055   3.6488  24.792  10.863 21.434  8.6190 3.358271       13.86687 
1 1 1 19 27 28 o 18.029  5.7645 0.9027   2.7554  19.899  9.2042 16.158  6.9426 3.741552       11.52896 
1 1 1 19 28 1  o 20.211  5.9369 1.4558   2.7973  20.330  8.3409 20.092  8.4507 0.2371006      11.87374 
1 1 1 19 28 3  o 22.519  6.0940 2.2554   3.0307  27.820  9.3262 17.218  7.8468 10.60146       12.18808 
1 1 1 19 28 5  o 37.382  5.4595 15.231   2.8242  31.796  8.9075 42.967  6.3151 -11.17167      10.91896 
1 1 1 19 28 7  o 102.391 2.4780 106.278  3.4977  103.652 3.0077 101.129 3.9391 2.523537       4.956056 
1 1 1 19 28 9  o 46.419  4.2284 22.340   2.7663  49.393  5.8442 43.446  6.1126 5.946892       8.456884 
1 1 1 19 28 11 o 80.761  2.7216 66.369   3.0668  81.970  3.4511 79.551  4.2092 2.418953       5.443104 
1 1 1 19 28 13 o 75.289  2.7381 57.784   2.9152  74.882  3.8549 75.697  3.8897 -0.8144760     5.476279 
1 1 1 19 28 15 o 92.627  2.2239 86.570   2.9015  88.443  3.0680 96.811  3.2202 -8.368378      4.447736 
1 1 1 19 28 17 o 42.825  4.9745 19.886   2.8329  41.937  5.7819 43.714  8.0964 -1.776390      9.948927 
1 1 1 19 28 19 o 21.041  5.9752 3.4541   2.7085  20.571  8.2647 21.511  8.6317 -0.9399719     11.95036 
1 1 1 19 28 21 o 16.876  5.5178 -3.5131  3.0908  13.733  6.6490 20.020  8.8077 -6.287635      11.03566 
1 1 1 19 28 23 o 18.306  5.7385 0.5875   2.9036  17.211  7.6187 19.402  8.5834 -2.190998      11.47695 
1 1 1 19 28 25 o 15.946  5.1556 -1.2829  2.5659  13.719  6.4570 18.172  8.0392 -4.453129      10.31124 
1 1 1 19 28 27 o 18.145  5.7449 0.9105   3.0210  17.964  8.6990 18.326  7.5062 -0.3620644     11.48983 
1 1 1 19 29 0  o 10.121  7.2918 -8.6598  6.4660  10.121  7.2918 ?       ?      0.000000       0.000000 
1 1 1 19 29 2  o 34.929  6.1030 13.655   3.0307  38.815  8.1432 31.043  9.0925 7.771772       12.20598 
1 1 1 19 29 4  o 65.173  3.2521 43.038   2.9743  69.421  4.7402 60.924  4.4538 8.497147       6.504292 
1 1 1 19 29 6  o 59.158  3.8035 36.115   3.1742  57.613  5.6116 60.703  5.1357 -3.090557      7.606964 
1 1 1 19 29 8  o 54.399  4.1587 30.591   3.1727  50.282  5.7409 58.516  6.0183 -8.234089      8.317330 
1 1 1 19 29 10 o 20.921  5.9306 2.2763   2.8183  23.511  8.6244 18.332  8.1430 5.178331       11.86121 
1 1 1 19 29 12 o 45.807  4.8653 22.681   3.0587  41.787  7.4522 49.826  6.2568 -8.039585      9.730517 
1 1 1 19 29 14 o 53.699  3.8499 30.413   2.8450  54.827  4.6331 52.571  6.1498 2.256157       7.699705 
1 1 1 19 29 16 o 35.833  6.0460 15.198   2.9977  37.235  7.5506 34.432  9.4448 2.802879       12.09194 
1 1 1 19 29 18 o 20.930  5.5655 2.5491   2.6265  15.149  7.0841 26.710  8.5856 -11.56100      11.13091 
1 1 1 19 29 20 o 26.798  6.4044 9.2325   2.8820  26.710  8.8754 26.885  9.2355 -0.1750660     12.80886 
1 1 1 19 29 22 o 36.254  5.8561 17.072   2.9691  41.655  6.2368 30.852  9.9135 10.80320       11.71220 
1 1 1 19 29 24 o 31.220  5.7152 12.785   2.5554  34.424  6.6088 28.016  9.3262 6.407497       11.43039 
1 1 1 19 29 26 o 18.644  5.5523 2.7097   2.5906  19.752  7.6197 17.536  8.0779 2.215824       11.10464 
1 1 1 19 30 1  o 36.058  6.0532 14.869   3.0326  38.402  7.4831 33.714  9.5167 4.688389       12.10638 
1 1 1 19 30 3  o 22.541  6.1913 4.0553   2.8575  21.146  8.6272 23.936  8.8825 -2.790260      12.38256 
1 1 1 19 30 5  o 31.726  6.3122 11.325   3.1461  38.320  8.5101 25.132  9.3250 13.18746       12.62449 
1 1 1 19 30 7  o 48.451  4.4263 25.392   2.8551  40.048  7.1798 56.855  5.1787 -16.80744      8.852594 
1 1 1 19 30 9  o 37.915  6.7200 16.835   3.4639  36.948  8.0368 38.883  10.772 -1.934364      13.44007 
1 1 1 19 30 11 o 25.582  6.2925 7.0716   2.8183  22.557  8.5522 28.606  9.2327 -6.049669      12.58500 
1 1 1 19 30 13 o 19.603  5.8431 1.0265   2.8855  22.625  8.8978 16.582  7.5759 6.042423       11.68612 
1 1 1 19 30 15 o 28.041  6.2069 9.5427   2.7699  25.446  8.7765 30.636  8.7793 -5.190536      12.41381 
1 1 1 19 30 17 o 38.037  5.0604 17.003   2.6544  40.319  6.4435 35.756  7.8045 4.562725       10.12073 
1 1 1 19 30 19 o 53.750  4.4539 33.086   3.2044  57.889  4.8867 49.611  7.4477 8.278320       8.907764 
1 1 1 19 30 21 o 18.404  5.7803 1.1382   2.9691  18.032  7.8116 18.775  8.5220 -0.7433338     11.56054 
1 1 1 19 30 23 o 18.030  5.4136 2.0071   2.5906  19.723  7.6174 16.336  7.6944 3.386400       10.82721 
1 1 1 19 31 0  o 204.158 2.8574 420.060  11.662  204.158 2.8574 ?       ?      0.000000       0.000000 
1 1 1 19 31 2  o 145.992 2.0692 216.360  4.2714  144.025 2.9262 147.959 2.9264 -3.933640      4.138434 
1 1 1 19 31 4  o 26.647  6.5778 7.9671   3.0598  27.465  9.3262 25.830  9.2786 1.634626       13.15562 
1 1 1 19 31 6  o 123.241 2.3850 155.174  4.1559  121.287 3.3796 125.194 3.3663 -3.906990      4.770092 
1 1 1 19 31 8  o 115.156 2.2695 135.227  3.6913  119.644 3.1847 110.669 3.2343 8.975555       4.539098 
1 1 1 19 31 10 o 25.625  6.1328 5.8421   3.2654  32.921  8.9043 18.328  8.4354 14.59261       12.26551 
1 1 1 19 31 12 o 48.702  4.6918 26.851   3.1490  51.252  5.6322 46.152  7.5054 5.099808       9.383665 
1 1 1 19 31 14 o 51.057  4.2321 28.610   3.0206  45.992  5.8998 56.123  6.0692 -10.13088      8.464208 
1 1 1 19 31 16 o 45.564  4.7679 23.199   2.9030  42.851  5.5238 48.278  7.7729 -5.426620      9.535799 
1 1 1 19 31 18 o 55.401  3.7523 33.707   2.9160  52.180  5.0895 58.622  5.5150 -6.442047      7.504597 
1 1 1 19 31 20 o 49.214  5.4595 31.190   3.3475  56.145  5.1413 42.283  9.6329 13.86201       10.91907 
1 1 1 19 31 22 o 47.874  4.4645 26.491   2.9691  42.286  6.1437 53.462  6.4793 -11.17553      8.928951 
1 1 1 19 32 1  o 62.046  3.7965 41.110   3.3133  60.705  5.7061 63.386  5.0094 -2.680531      7.593052 
1 1 1 19 32 3  o 37.192  5.8046 16.532   2.9707  36.101  8.5887 38.283  7.8106 -2.181763      11.60910 
1 1 1 19 32 5  o 19.754  6.1829 0.3098   3.4601  17.663  8.1408 21.845  9.3081 -4.182034      12.36584 
1 1 1 19 32 7  o 16.264  5.3590 -3.2570  3.0326  15.881  7.5840 16.647  7.5735 -0.7659273     10.71803 
1 1 1 19 32 9  o 18.565  5.8605 0.2577   3.0652  16.287  7.4324 20.843  9.0631 -4.555805      11.72095 
1 1 1 19 32 11 o 22.579  6.0744 4.6078   3.0431  26.768  8.7824 18.390  8.3943 8.377821       12.14887 
1 1 1 19 32 13 o 47.132  5.1094 26.270   3.3905  48.313  7.5283 45.951  6.9102 2.362194       10.21887 
1 1 1 19 32 15 o 30.434  6.9411 13.330   3.3941  31.024  9.2069 29.845  10.390 1.179022       13.88225 
1 1 1 19 32 17 o 21.053  6.1794 4.8495   3.0087  19.045  8.1548 23.061  9.2864 -4.015860      12.35879 
1 1 1 19 32 19 o 18.240  5.8176 1.0845   3.1959  18.596  8.1452 17.883  8.3086 0.7137623      11.63514 
1 1 1 19 33 0  o 12.969  8.7255 -0.6928  6.2351  12.969  8.7255 ?       ?      0.000000       0.000000 
1 1 1 19 33 2  o 15.700  5.2671 -4.7711  3.1334  16.527  7.7775 14.873  7.1048 1.653698       10.53415 
1 1 1 19 33 4  o 46.915  5.4573 26.407   3.4232  37.051  8.8372 56.779  6.4057 -19.72828      10.91465 
1 1 1 19 33 6  o 56.417  3.9787 34.979   3.1585  60.285  5.6502 52.549  5.6031 7.735680       7.957330 
1 1 1 19 33 8  o 59.865  3.9546 39.855   3.3395  58.675  5.4116 61.055  5.7681 -2.379654      7.909246 
1 1 1 19 33 10 o 50.790  4.8397 30.538   3.3133  58.612  5.9100 42.968  7.6656 15.64365       9.679359 
1 1 1 19 33 12 f 33.686  6.9660 16.029   3.4264  32.967  8.6483 34.405  10.923 -1.437813      13.93197 
1 1 1 19 33 14 o 29.316  7.0444 13.648   3.4876  25.735  9.4314 32.897  10.466 -7.162785      14.08886 
1 1 1 19 33 16 o 37.673  6.4516 19.796   3.3436  36.175  8.3094 39.172  9.8716 -2.997360      12.90326 
1 1 1 19 34 1  f 25.651  6.2267 6.2292   3.3817  35.544  9.9852 15.759  7.4419 19.78518       12.45333 
1 1 1 19 34 3  o 24.227  6.3405 7.5052   2.9443  26.646  9.1470 21.807  8.7830 4.839720       12.68103 
1 1 1 19 34 5  o 25.734  6.8862 8.9570   3.5207  28.634  10.060 22.835  9.4058 5.798458       13.77243 
1 1 1 19 34 7  o 45.551  5.5594 25.910   3.4876  42.339  7.7915 48.764  7.9322 -6.425591      11.11880 
1 1 1 19 34 9  o 53.931  4.7067 35.411   3.5484  59.432  6.1198 48.429  7.1525 11.00304       9.413317 
1 1 1 19 34 11 o 22.376  6.5805 6.5642   3.4601  20.504  8.8753 24.248  9.7180 -3.743677      13.16097 
1 1 1 19 35 0  o 12.486  8.6755 -2.1938  7.1588  12.486  8.6755 ?       ?      0.000000       0.000000 
1 1 1 19 35 2  o 17.463  5.6998 -1.7603  3.4023  14.235  6.9574 20.691  9.0302 -6.456779      11.39954 
1 1 1 19 35 4  o 19.000  6.0797 1.1941   3.5484  17.047  7.9963 20.953  9.1604 -3.905529      12.15948 
1 1 1 20 1  1  o 319.212 2.5784 1013.82  11.501  328.960 3.9136 309.464 3.3580 19.49557       5.156815 
1 1 1 20 1  3  o 583.748 3.7907 3416.19  31.202  593.354 5.0984 574.143 5.6109 19.21100       7.581307 
1 1 1 20 1  5  o 319.637 2.2458 1022.94  9.9352  320.710 2.7722 318.563 3.5339 2.146729       4.491526 
1 1 1 20 1  7  o 631.713 4.0118 3991.51  34.655  629.045 4.7816 634.380 6.4432 -5.335571      8.023644 
1 1 1 20 1  9  o 590.047 3.7978 3489.85  30.804  591.973 4.5837 588.120 6.0567 3.852783       7.595660 
1 1 1 20 1  11 o 229.099 1.9215 526.856  6.1234  232.864 2.4049 225.335 2.9976 7.529068       3.843051 
1 1 1 20 1  13 o 245.604 2.0776 603.415  7.1263  245.230 2.6603 245.978 3.1920 -0.7475739     4.155213 
1 1 1 20 1  15 o 287.140 2.1197 825.110  8.4180  287.166 2.6135 287.114 3.3379 0.5154419E-01  4.239357 
1 1 1 20 1  17 o 42.392  3.4781 18.235   2.0491  38.237  5.4355 46.547  4.3410 -8.310173      6.956216 
1 1 1 20 1  19 o 145.844 1.6543 212.800  3.3060  145.721 1.9809 145.968 2.6499 -0.2470856     3.308515 
1 1 1 20 1  21 o 67.414  2.7445 45.466   2.5518  66.963  3.3624 67.865  4.3385 -0.9022675     5.488948 
1 1 1 20 1  23 o 38.545  4.0422 15.341   2.1068  34.321  6.4610 42.769  4.8595 -8.447929      8.084489 
1 1 1 20 1  25 o 92.180  1.9553 85.034   2.5192  92.544  2.9944 91.817  2.5151 0.7273254      3.910536 
1 1 1 20 1  27 o 105.056 1.7780 111.024  2.6240  100.819 2.6914 109.293 2.3242 -8.474373      3.556057 
1 1 1 20 1  29 o 62.978  2.4684 39.516   2.1558  64.875  3.8266 61.081  3.1191 3.794037       4.936705 
1 1 1 20 1  31 o 50.919  3.3311 25.704   2.2262  48.989  3.6533 52.848  5.5713 -3.859131      6.662290 
1 1 1 20 1  33 o 70.812  2.6738 51.896   2.4090  74.683  2.6283 66.941  4.6571 7.742020       5.347608 
1 1 1 20 1  35 o 79.842  2.3657 63.275   2.5540  76.625  2.7877 83.059  3.8229 -6.434128      4.731373 
1 1 1 20 1  37 o 52.820  3.2036 28.382   2.2980  52.249  3.7568 53.392  5.1902 -1.142864      6.407192 
1 1 1 20 1  39 o 39.559  4.7027 16.551   2.3650  38.845  4.9045 40.274  8.0254 -1.428871      9.405361 
1 1 1 20 1  41 o 38.357  6.3934 18.605   2.9499  44.590  4.6610 32.125  11.907 12.46534       12.78686 
1 1 1 20 1  43 o 18.565  5.5459 2.1809   2.4261  18.113  7.2200 19.018  8.4201 -0.9047909     11.09174 
1 1 1 20 1  45 o 22.504  6.1272 6.9048   2.6603  22.353  7.6838 22.655  9.5463 -0.3021030     12.25449 
1 1 1 20 2  0  o 507.042 4.4186 2572.55  44.800  507.042 4.4186 ?       ?      0.000000       0.000000 
1 1 1 20 2  2  o 238.855 1.8635 570.647  6.2881  239.131 2.7040 238.579 2.5650 0.5520630      3.727042 
1 1 1 20 2  4  o 152.982 1.6019 233.905  3.4553  151.682 2.1695 154.282 2.3575 -2.600433      3.203805 
1 1 1 20 2  6  o 188.987 1.7460 354.617  4.4562  185.041 2.0280 192.933 2.8427 -7.891953      3.491971 
1 1 1 20 2  8  o 263.311 1.9425 693.545  7.0080  263.260 2.3246 263.362 3.1128 -0.1024170     3.884999 
1 1 1 20 2  10 o 86.850  1.6646 75.580   1.9794  87.352  1.9827 86.347  2.6744 1.005051       3.329232 
1 1 1 20 2  12 o 226.635 1.9204 515.115  5.9910  228.687 2.3226 224.582 3.0591 4.104462       3.840858 
1 1 1 20 2  14 o 276.597 2.1352 766.787  8.1751  278.415 2.6335 274.780 3.3617 3.635376       4.270363 
1 1 1 20 2  16 o 241.823 2.1145 587.933  7.1783  251.666 2.7528 231.980 3.2104 19.68585       4.229018 
1 1 1 20 2  18 o 51.961  2.5128 28.665   1.6987  41.569  4.3054 62.353  2.5925 -20.78417      5.025690 
1 1 1 20 2  20 o 97.491  1.7393 95.180   2.3955  99.090  2.3888 95.891  2.5287 3.199608       3.478547 
1 1 1 20 2  22 o 66.176  2.2502 43.660   2.0973  69.833  3.2242 62.518  3.1397 7.314606       4.500377 
1 1 1 20 2  24 o 48.810  2.9358 23.840   2.0140  53.000  4.0303 44.620  4.2698 8.380444       5.871507 
1 1 1 20 2  26 o 57.433  2.3236 32.945   1.8403  58.266  3.6661 56.599  2.8561 1.666969       4.647295 
1 1 1 20 2  28 o 122.057 1.6929 149.378  2.9083  120.888 2.5311 123.225 2.2488 -2.337631      3.385837 
1 1 1 20 2  30 o 88.730  2.4605 78.900   3.0819  85.722  3.4348 91.739  3.5242 -6.016373      4.921098 
1 1 1 20 2  32 o 25.212  4.3988 5.5408   2.1568  35.086  5.1009 15.338  7.1679 19.74743       8.797601 
1 1 1 20 2  34 o 120.031 1.9852 144.077  3.1868  118.540 2.2403 121.521 3.2780 -2.980934      3.970472 
1 1 1 20 2  36 o 71.390  2.5490 50.776   2.4961  68.036  3.1397 74.745  4.0164 -6.709305      5.097970 
1 1 1 20 2  38 o 30.160  5.9321 9.9566   2.5351  27.414  7.5542 32.907  9.1485 -5.493742      11.86426 
1 1 1 20 2  40 o 27.199  5.6626 8.3059   2.5942  32.830  7.0608 21.569  8.8547 11.26054       11.32528 
1 1 1 20 2  42 o 32.330  6.9533 13.138   3.0517  28.802  7.6760 35.857  11.596 -7.054920      13.90651 
1 1 1 20 2  44 o 19.779  5.7816 3.5794   2.5540  19.010  7.5462 20.548  8.7615 -1.537491      11.56329 
1 1 1 20 3  1  o 326.702 2.5484 1063.03  11.332  331.337 4.1121 322.067 3.0115 9.269928       5.096881 
1 1 1 20 3  3  o 254.795 1.9630 649.571  6.9861  254.482 3.0173 255.109 2.5120 -0.6274261     3.926059 
1 1 1 20 3  5  o 87.634  1.5126 76.446   1.8652  91.421  2.2103 83.847  2.0656 7.573166       3.025232 
1 1 1 20 3  7  o 173.439 1.7314 300.929  4.1504  173.512 2.1295 173.366 2.7307 0.1458893      3.462829 
1 1 1 20 3  9  o 166.871 1.7207 278.109  3.9025  166.067 2.0163 167.675 2.7889 -1.607971      3.441472 
1 1 1 20 3  11 o 297.153 2.2323 885.572  9.1654  299.915 2.7334 294.391 3.5299 5.523926       4.464542 
1 1 1 20 3  13 o 115.616 1.7649 133.408  2.8762  112.623 2.4093 118.609 2.5797 -5.985626      3.529839 
1 1 1 20 3  15 o 305.719 2.1632 935.246  9.3512  302.436 3.0543 309.002 3.0641 -6.565643      4.326328 
1 1 1 20 3  17 o 175.008 1.5393 306.184  3.8068  178.535 2.1989 171.481 2.1547 7.054108       3.078605 
1 1 1 20 3  19 o 16.553  5.0264 -0.2135  2.0594  15.386  6.5698 17.719  7.6090 -2.332560      10.05276 
1 1 1 20 3  21 o 73.023  2.1555 53.436   2.2193  72.426  3.1885 73.620  2.9015 -1.193939      4.311066 
1 1 1 20 3  23 o 81.613  1.8512 66.670   2.1345  81.858  2.6800 81.367  2.5543 0.4902802      3.702305 
1 1 1 20 3  25 o 114.733 1.7081 131.803  2.7712  113.601 2.4394 115.865 2.3917 -2.264351      3.416260 
1 1 1 20 3  27 o 84.225  1.9527 71.377   2.2963  82.224  3.0192 86.226  2.4773 -4.001747      3.905447 
1 1 1 20 3  29 o 101.825 1.9912 103.834  2.8341  102.258 3.0487 101.392 2.5623 0.8658066      3.982463 
1 1 1 20 3  31 o 49.814  3.3500 24.558   2.2095  47.549  3.7639 52.079  5.5428 -4.530289      6.699959 
1 1 1 20 3  33 o 31.022  5.7130 10.067   2.5143  26.091  7.8067 35.954  8.3433 -9.863173      11.42605 
1 1 1 20 3  35 f 95.917  1.9668 92.675   2.6444  97.453  2.5474 94.381  2.9973 3.072220       3.933569 
1 1 1 20 3  37 o 34.043  4.8344 12.470   2.2382  30.899  6.9021 37.187  6.7709 -6.287844      9.668735 
1 1 1 20 3  39 o 38.199  4.0658 15.258   2.1802  37.664  5.3649 38.735  6.1108 -1.070900      8.131701 
1 1 1 20 3  41 o 37.251  5.0822 16.641   2.5610  47.311  5.1252 27.191  8.7778 20.12012       10.16449 
1 1 1 20 3  43 o 27.316  5.8602 9.5763   2.7279  32.714  7.5583 21.918  8.9578 10.79647       11.72045 
1 1 1 20 3  45 o 16.141  5.4528 -2.8794  3.1311  15.031  6.8352 17.252  8.4977 -2.221048      10.90555 
1 1 1 20 4  0  o 261.516 2.7160 684.243  14.202  261.516 2.7160 ?       ?      0.000000       0.000000 
1 1 1 20 4  2  o 76.990  1.7250 59.288   1.8723  77.027  2.5483 76.954  2.3257 0.7305145E-01  3.450046 
1 1 1 20 4  4  o 121.599 1.5771 147.194  2.6938  125.894 2.3388 117.305 2.1163 8.588547       3.154108 
1 1 1 20 4  6  o 132.208 1.4678 174.930  2.7420  130.089 2.1302 134.326 2.0200 -4.236374      2.935681 
1 1 1 20 4  8  o 240.637 1.8237 578.928  6.1996  237.988 2.5229 243.285 2.6341 -5.296341      3.647361 
1 1 1 20 4  10 o 74.686  2.0078 55.523   2.0594  73.339  2.4403 76.033  3.1891 -2.694054      4.015643 
1 1 1 20 4  12 o 236.444 1.8392 559.397  6.1484  232.550 2.6315 240.338 2.5703 -7.787888      3.678489 
1 1 1 20 4  14 o 274.650 2.0587 754.252  7.9833  271.389 2.8293 277.911 2.9914 -6.522003      4.117450 
1 1 1 20 4  16 o 73.426  1.8488 54.265   1.9034  69.612  2.8198 77.241  2.3918 -7.629639      3.697533 
1 1 1 20 4  18 o 37.345  4.0958 15.833   1.8545  47.045  3.5588 27.645  7.3782 19.39963       8.191606 
1 1 1 20 4  20 o 209.374 1.8230 438.593  5.3941  211.423 2.6214 207.325 2.5340 4.098129       3.645971 
1 1 1 20 4  22 o 149.236 1.6824 222.911  3.5503  148.984 2.4025 149.489 2.3558 -0.5049438     3.364825 
1 1 1 20 4  24 o 98.511  1.8021 96.942   2.5031  100.965 2.6303 96.056  2.4642 4.909187       3.604271 
1 1 1 20 4  26 o 127.333 1.7671 162.499  3.1658  126.619 2.6445 128.047 2.3445 -1.427574      3.534149 
1 1 1 20 4  28 o 30.691  5.0143 9.9207   2.1615  25.871  7.5616 35.510  6.5876 -9.638895      10.02867 
1 1 1 20 4  30 o 20.801  5.5571 3.0909   2.2146  23.531  8.4540 18.072  7.2148 5.459558       11.11416 
1 1 1 20 4  32 o 94.772  2.0566 90.623   2.6532  96.204  2.4004 93.340  3.3400 2.863770       4.113100 
1 1 1 20 4  34 o 118.454 2.0290 139.597  3.2685  114.764 2.4146 122.143 3.2614 -7.378906      4.057946 
1 1 1 20 4  36 o 28.213  5.9122 8.2304   2.4961  23.415  7.7923 33.010  8.8935 -9.594473      11.82434 
1 1 1 20 4  38 o 54.091  3.5878 31.014   2.5554  58.003  3.7822 50.178  6.0979 7.824955       7.175608 
1 1 1 20 4  40 o 41.863  4.5563 18.918   2.6011  36.124  6.8020 47.602  6.0641 -11.47774      9.112623 
1 1 1 20 4  42 f 28.627  6.1915 10.253   2.6326  26.375  7.7880 30.878  9.6274 -4.503532      12.38304 
1 1 1 20 4  44 o 17.837  5.4884 1.0793   2.6545  18.648  7.6155 17.027  7.9053 1.620752       10.97680 
1 1 1 20 5  1  o 32.225  4.1033 10.058   1.7590  40.888  5.5067 23.563  6.0848 17.32503       8.206565 
1 1 1 20 5  3  o 186.691 1.8129 351.297  4.7087  179.095 2.8367 194.287 2.2583 -15.19223      3.625894 
1 1 1 20 5  5  o 367.706 2.4549 1352.24  12.733  369.839 3.6059 365.573 3.3322 4.265839       4.909800 
1 1 1 20 5  7  o 140.900 1.7912 198.538  3.5109  141.099 2.7823 140.700 2.2568 0.3992004      3.582476 
1 1 1 20 5  9  o 183.800 1.7167 338.775  4.2593  182.500 2.8154 185.099 1.9650 -2.598282      3.433331 
1 1 1 20 5  11 o 377.245 2.6844 1425.41  13.893  376.427 4.2943 378.064 3.2221 -1.636749      5.368720 
1 1 1 20 5  13 o 154.423 1.7265 238.994  3.7304  152.791 2.6450 156.055 2.2197 -3.263962      3.452937 
1 1 1 20 5  15 o 194.917 1.7955 379.706  4.8981  196.255 2.7358 193.579 2.3262 2.675369       3.591090 
1 1 1 20 5  17 o 99.000  1.6696 97.831   2.3292  96.439  2.2748 101.562 2.4443 -5.123169      3.339102 
1 1 1 20 5  19 o 145.152 1.5745 210.391  3.2237  141.537 2.1618 148.766 2.2896 -7.229080      3.148964 
1 1 1 20 5  21 o 100.267 1.7511 100.623  2.4811  100.352 2.5313 100.183 2.4203 0.1684799      3.502223 
1 1 1 20 5  23 o 247.751 1.9526 614.155  6.8314  250.815 2.8312 244.688 2.6897 6.126373       3.905180 
1 1 1 20 5  25 o 315.481 2.2968 997.541  10.245  318.892 3.2587 312.070 3.2375 6.822266       4.593522 
1 1 1 20 5  27 o 71.822  2.1884 51.727   2.2223  71.900  3.1315 71.745  3.0578 0.1555786      4.376834 
1 1 1 20 5  29 o 15.128  4.8057 -1.8662  2.0971  16.113  7.2318 14.142  6.3308 1.970450       9.611336 
1 1 1 20 5  31 o 22.682  6.1261 3.7496   2.7347  21.045  8.3321 24.320  8.9830 -3.274973      12.25229 
1 1 1 20 5  33 o 36.789  4.4825 14.961   2.1646  25.845  7.6972 47.732  4.5961 -21.88718      8.965022 
1 1 1 20 5  35 o 32.999  5.0149 11.720   2.2963  36.769  5.8095 29.230  8.1760 7.539593       10.02979 
1 1 1 20 5  37 o 77.735  2.2338 60.980   2.4506  73.827  3.2062 81.643  3.1114 -7.816544      4.467683 
1 1 1 20 5  39 o 69.166  2.5987 48.876   2.5350  69.472  3.8227 68.860  3.5213 0.6122513      5.197357 
1 1 1 20 5  41 o 19.287  5.7662 1.9408   2.6938  17.334  7.5732 21.240  8.6971 -3.905111      11.53230 
1 1 1 20 5  43 o 41.175  5.7677 21.533   3.0895  44.717  5.8098 37.634  9.9655 7.082466       11.53537 
1 1 1 20 5  45 o 24.749  7.0392 8.8987   3.4463  22.161  8.5082 27.338  11.217 -5.176876      14.07849 
1 1 1 20 6  0  o 47.501  3.6900 22.977   3.4639  47.501  3.6900 ?       ?      0.000000       0.000000 
1 1 1 20 6  2  o 133.110 1.6264 177.296  3.0598  135.690 2.2550 130.529 2.3442 5.161270       3.252708 
1 1 1 20 6  4  o 266.038 2.0199 708.349  7.5829  264.591 2.9674 267.485 2.7411 -2.894043      4.039719 
1 1 1 20 6  6  o 269.800 2.0915 726.227  7.7235  272.347 3.3493 267.253 2.5059 5.094971       4.182944 
1 1 1 20 6  8  o 210.516 1.8400 440.185  5.2493  214.929 2.9816 206.103 2.1569 8.825836       3.679943 
1 1 1 20 6  10 o 154.022 1.6473 236.439  3.3617  155.378 2.7495 152.666 1.8152 2.712006       3.294672 
1 1 1 20 6  12 o 299.281 2.2194 893.602  8.9530  301.843 3.6341 296.719 2.5489 5.123932       4.438807 
1 1 1 20 6  14 o 108.511 1.6154 117.169  2.3772  110.232 2.6187 106.791 1.8921 3.440964       3.230734 
1 1 1 20 6  16 o 148.003 1.7504 218.831  3.3969  148.546 2.9537 147.460 1.8793 1.085510       3.500879 
1 1 1 20 6  18 o 112.426 1.5440 126.305  2.4451  111.018 2.0801 113.834 2.2822 -2.816414      3.087949 
1 1 1 20 6  20 o 162.606 1.6951 264.524  3.8950  157.745 2.4155 167.467 2.3787 -9.721878      3.390103 
1 1 1 20 6  22 o 174.187 1.6056 303.666  3.9545  176.689 2.2545 171.686 2.2866 5.002579       3.211166 
1 1 1 20 6  24 o 54.939  3.1769 30.701   2.4124  51.403  5.0541 58.474  3.8505 -7.070992      6.353733 
1 1 1 20 6  26 o 115.742 1.7629 133.849  2.8762  118.872 2.5740 112.611 2.4096 6.261559       3.525845 
1 1 1 20 6  28 o 112.072 1.8579 125.191  2.9160  115.606 2.7966 108.539 2.4468 7.066422       3.715842 
1 1 1 20 6  30 o 100.605 1.9100 101.629  2.7122  98.791  2.8051 102.419 2.5930 -3.628174      3.819937 
1 1 1 20 6  32 o 122.977 1.8390 150.845  3.0903  120.449 2.2048 125.505 2.9440 -5.056328      3.678097 
1 1 1 20 6  34 o 101.488 2.0715 104.096  2.8329  103.112 2.3516 99.863  3.4109 3.248695       4.142943 
1 1 1 20 6  36 o 127.703 1.9194 164.466  3.3805  128.319 2.3395 127.087 3.0436 1.231888       3.838896 
1 1 1 20 6  38 o 67.567  3.1745 47.264   2.8311  69.353  3.4130 65.781  5.3536 3.572189       6.349006 
1 1 1 20 6  40 o 40.241  4.9607 18.898   2.5659  47.535  4.8581 32.948  8.6507 14.58745       9.921439 
1 1 1 20 6  42 o 20.988  5.8110 3.9921   2.6532  23.110  8.0844 18.866  8.3494 4.244232       11.62197 
1 1 1 20 6  44 o 23.748  6.0745 7.7209   2.6240  23.229  8.4433 24.268  8.7356 -1.038328      12.14905 
1 1 1 20 7  1  o 230.713 2.1157 536.611  6.7420  223.220 3.3622 238.206 2.5690 -14.98625      4.231397 
1 1 1 20 7  3  o 39.735  3.1252 15.470   1.7225  44.668  4.5236 34.801  4.3132 9.867123       6.250363 
1 1 1 20 7  5  o 67.927  1.9877 47.165   1.7155  65.073  3.4600 70.781  1.9575 -5.708275      3.975406 
1 1 1 20 7  7  o 73.180  1.8080 53.612   1.8023  73.017  2.9255 73.342  2.1253 -0.3250580     3.616004 
1 1 1 20 7  9  o 218.068 1.7939 473.934  5.3478  220.805 2.8761 215.330 2.1449 5.475586       3.587816 
1 1 1 20 7  11 o 414.894 2.7126 1720.08  15.477  417.741 4.3119 412.046 3.2926 5.695038       5.425272 
1 1 1 20 7  13 o 136.751 1.5279 185.536  2.7894  139.611 2.5225 133.892 1.7247 5.718948       3.055768 
1 1 1 20 7  15 o 134.725 1.7122 181.691  3.0895  134.580 2.8313 134.869 1.9263 -0.2891846     3.424421 
1 1 1 20 7  17 o 113.274 1.8045 126.674  2.6298  116.308 3.0775 110.240 1.8853 6.067741       3.609093 
1 1 1 20 7  19 o 197.249 1.8551 385.855  4.8860  201.861 3.0602 192.637 2.0979 9.224365       3.710240 
1 1 1 20 7  21 o 47.156  2.7133 21.586   1.7411  51.908  4.2263 42.403  3.4038 9.504955       5.426562 
1 1 1 20 7  23 o 159.235 1.7562 253.853  3.9545  159.399 2.4629 159.070 2.5043 0.3289795      3.512412 
1 1 1 20 7  25 o 117.647 1.6482 138.587  2.7420  118.799 2.3326 116.496 2.3292 2.302956       3.296420 
1 1 1 20 7  27 o 21.267  5.5286 2.5402   2.4248  26.049  8.2866 16.485  7.3207 9.564388       11.05718 
1 1 1 20 7  29 o 20.855  5.4591 3.1753   2.1802  24.108  8.2027 17.602  7.2058 6.506350       10.91825 
1 1 1 20 7  31 o 18.496  5.5578 -0.1155  2.5980  16.596  7.4655 20.395  8.2355 -3.799713      11.11563 
1 1 1 20 7  33 o 29.050  5.1378 9.0663   2.1068  28.765  7.3881 29.336  7.1418 -0.5709419     10.27564 
1 1 1 20 7  35 o 78.058  2.4563 61.811   2.6594  79.904  3.0346 76.212  3.8634 3.692062       4.912660 
1 1 1 20 7  37 o 14.001  4.6665 -4.4739  2.3371  13.077  6.1291 14.924  7.0385 -1.847189      9.333091 
1 1 1 20 7  39 f 62.619  3.1274 40.452   2.7603  59.577  4.3607 65.661  4.4842 -6.083672      6.254849 
1 1 1 20 7  41 o 29.295  5.9850 10.936   2.6594  31.652  7.7191 26.939  9.1485 4.713703       11.97000 
1 1 1 20 7  43 o 23.402  5.8946 6.8682   2.5084  25.435  8.3022 21.369  8.3701 4.065811       11.78916 
1 1 1 20 8  0  o 332.770 5.3292 1109.15  35.448  332.770 5.3292 ?       ?      0.000000       0.000000 
1 1 1 20 8  2  o 171.084 1.6136 292.348  3.8711  172.767 2.4394 169.401 2.1130 3.365677       3.227276 
1 1 1 20 8  4  o 137.876 1.7207 190.253  3.0756  137.739 2.9340 138.014 1.7987 -0.2747345     3.441483 
1 1 1 20 8  6  o 304.236 2.2432 927.867  9.3071  302.460 3.6266 306.013 2.6412 -3.552795      4.486499 
1 1 1 20 8  8  o 88.028  1.6677 78.244   2.0393  83.697  2.6212 92.359  2.0628 -8.662018      3.335497 
1 1 1 20 8  10 o 308.223 2.2110 949.197  9.2708  309.767 3.5784 306.679 2.5978 3.087524       4.421936 
1 1 1 20 8  12 o 182.337 1.6903 330.767  4.1381  185.059 2.7765 179.616 1.9285 5.443024       3.380563 
1 1 1 20 8  14 o 104.398 1.8993 107.910  2.4727  106.311 3.3126 102.486 1.8590 3.825073       3.798575 
1 1 1 20 8  16 o 159.953 1.9500 250.833  3.9087  165.718 3.3792 154.188 1.9470 11.53053       3.900027 
1 1 1 20 8  18 o 149.757 1.6804 220.729  3.3362  155.667 2.7815 143.848 1.8863 11.81876       3.360822 
1 1 1 20 8  20 o 49.913  2.9505 24.517   1.9998  52.664  4.7138 47.162  3.5500 5.501598       5.901060 
1 1 1 20 8  22 o 110.124 2.0835 121.161  2.8438  110.547 3.6557 109.700 1.9998 0.8472290      4.166945 
1 1 1 20 8  24 o 86.487  2.1839 74.425   2.4132  87.670  3.7536 85.304  2.2334 2.366112       4.367739 
1 1 1 20 8  26 o 36.267  4.5914 13.549   1.9751  35.868  8.2197 36.666  4.0938 -0.7977829     9.182746 
1 1 1 20 8  28 o 85.847  2.6903 74.659   3.0483  84.055  4.5331 87.638  2.8985 -3.583031      5.380599 
1 1 1 20 8  30 o 110.326 2.1821 121.941  3.3060  111.302 3.4753 109.350 2.6398 1.951439       4.364193 
1 1 1 20 8  32 o 121.912 1.8641 149.088  3.0903  121.479 2.1861 122.346 3.0200 -0.8672485     3.728227 
1 1 1 20 8  34 o 27.228  5.9089 7.8025   2.4553  27.050  7.5900 27.407  9.0584 -0.3574409     11.81787 
1 1 1 20 8  36 o 70.559  2.6167 50.865   2.5298  72.682  3.0978 68.436  4.2180 4.245583       5.233333 
1 1 1 20 8  38 o 76.048  2.7271 59.440   2.9129  79.403  3.5627 72.693  4.1298 6.709679       5.454176 
1 1 1 20 8  40 o 18.202  5.5204 1.1796   2.5074  17.183  7.3539 19.221  8.2352 -2.038591      11.04077 
1 1 1 20 8  42 o 18.801  4.9899 0.4976   2.4028  25.124  7.8663 12.478  6.1415 12.64556       9.979763 
1 1 1 20 8  44 f 13.626  4.6290 -4.2372  2.5532  12.911  6.2159 14.341  6.8608 -1.430559      9.257909 
1 1 1 20 9  1  o 250.042 1.8365 623.421  6.4578  256.683 2.7215 243.401 2.4668 13.28232       3.673079 
1 1 1 20 9  3  o 284.013 2.1664 800.953  8.1875  289.362 3.5913 278.664 2.4240 10.69864       4.332764 
1 1 1 20 9  5  o 273.896 2.1095 751.986  7.9337  272.134 3.3731 275.658 2.5342 -3.524017      4.219007 
1 1 1 20 9  7  o 234.349 2.2183 549.052  6.6661  234.775 3.8115 233.923 2.2706 0.8515472      4.436570 
1 1 1 20 9  9  o 146.823 1.6210 216.602  3.1682  145.199 2.7037 148.447 1.7890 -3.247849      3.242018 
1 1 1 20 9  11 o 138.329 1.6215 191.526  3.0106  138.151 2.6745 138.508 1.8340 -0.3570404     3.242921 
1 1 1 20 9  13 o 93.155  1.9505 87.840   2.2740  91.246  3.4167 95.065  1.8826 -3.819214      3.900990 
1 1 1 20 9  15 o 113.916 1.7283 132.028  2.6692  107.773 2.8391 120.059 1.9715 -12.28619      3.456541 
1 1 1 20 9  17 o 13.716  4.4195 -2.0399  1.7155  16.438  7.1967 10.995  5.1318 5.443038       8.839005 
1 1 1 20 9  19 o 252.493 2.0792 635.983  7.0064  254.807 3.4439 250.178 2.3307 4.629471       4.158450 
1 1 1 20 9  21 o 110.033 1.9059 121.644  2.7469  109.163 3.2261 110.902 2.0302 -1.739410      3.811732 
1 1 1 20 9  23 o 38.487  4.2332 15.166   1.9473  38.149  7.5321 38.824  3.8663 -0.6752815     8.466473 
1 1 1 20 9  25 o 71.290  2.6921 51.202   2.3811  70.806  4.7291 71.773  2.5740 -0.9675674     5.384206 
1 1 1 20 9  27 o 97.493  2.0751 95.893   2.7140  95.764  3.4363 99.222  2.3274 -3.458015      4.150290 
1 1 1 20 9  29 o 30.508  5.9607 9.2744   2.3465  33.367  10.066 27.649  6.3879 5.718603       11.92145 
1 1 1 20 9  31 o 37.687  5.6584 14.609   2.3186  38.050  10.455 37.323  4.3311 0.7268677      11.31689 
1 1 1 20 9  33 o 53.266  2.9180 28.966   2.0596  51.808  4.9031 54.723  3.1650 -2.915054      5.835908 
1 1 1 20 9  35 o 62.937  2.6214 38.822   2.2095  68.502  4.2139 57.373  3.1194 11.12890       5.242890 
1 1 1 20 9  37 o 45.669  3.5567 21.025   2.1485  48.150  5.8752 43.189  4.0102 4.960606       7.113336 
1 1 1 20 9  39 o 18.711  5.4218 2.2083   2.1650  19.900  8.4141 17.522  6.8401 2.378292       10.84358 
1 1 1 20 9  41 o 22.891  5.4350 5.9609   1.9485  25.605  8.5935 20.178  6.6565 5.426235       10.87007 
1 1 1 20 9  43 o 22.676  5.5146 5.0244   2.7894  16.356  7.8029 28.997  7.7947 -12.64100      11.02915 
1 1 1 20 10 0  o 361.950 3.4141 1310.98  24.709  361.950 3.4141 ?       ?      0.000000       0.000000 
1 1 1 20 10 2  o 279.391 2.0679 780.810  8.1609  277.661 2.8486 281.121 2.9983 -3.460327      4.135717 
1 1 1 20 10 4  o 121.731 1.7783 148.240  2.9691  121.770 2.8446 121.692 2.1349 0.7837677E-01  3.556633 
1 1 1 20 10 6  o 102.914 1.7615 107.104  2.1925  101.161 3.1388 104.668 1.5996 -3.506554      3.522909 
1 1 1 20 10 8  o 251.326 2.0443 630.740  6.8260  252.611 3.4053 250.040 2.2627 2.570953       4.088512 
1 1 1 20 10 10 o 41.556  2.9052 17.126   1.6635  43.074  4.5570 40.038  3.6049 3.036648       5.810433 
1 1 1 20 10 12 o 22.875  5.0794 4.9650   1.7825  26.456  7.7804 19.294  6.5321 7.162605       10.15885 
1 1 1 20 10 14 o 51.918  3.1399 25.571   1.9185  55.928  5.5742 47.909  2.8921 8.019581       6.279795 
1 1 1 20 10 16 o 32.807  5.0275 10.518   2.0521  36.935  8.3268 28.678  5.6362 8.256273       10.05499 
1 1 1 20 10 18 o 154.222 2.0452 237.357  3.7718  154.932 3.6518 153.512 1.8428 1.419418       4.090394 
1 1 1 20 10 20 o 215.927 2.3515 466.021  6.2060  216.661 4.1568 215.192 2.1999 1.469269       4.703069 
1 1 1 20 10 22 o 152.337 2.1061 234.657  4.1681  149.262 3.5971 155.412 2.1917 -6.149460      4.212209 
1 1 1 20 10 24 o 59.374  3.5663 36.646   2.4114  56.626  6.5250 62.122  2.8809 -5.495617      7.132693 
1 1 1 20 10 26 o 14.382  4.8597 -3.6118  1.9694  17.302  8.1973 11.462  5.2223 5.839824       9.719438 
1 1 1 20 10 28 o 25.948  6.0977 5.8468   2.0936  31.152  10.407 20.744  6.3575 10.40787       12.19547 
1 1 1 20 10 30 o 64.414  2.9083 41.205   2.2450  65.837  5.1737 62.991  2.6579 2.845360       5.816521 
1 1 1 20 10 32 o 79.717  1.9286 62.355   2.0537  84.412  3.1461 75.022  2.2317 9.389763       3.857224 
1 1 1 20 10 34 o 34.120  4.4560 12.182   2.0383  36.943  6.6495 31.298  5.9335 5.645699       8.911943 
1 1 1 20 10 36 o 51.340  3.2983 26.972   2.2095  51.679  5.5857 51.001  3.5092 0.6779442      6.596521 
1 1 1 20 10 38 f 21.155  5.6259 4.0485   1.9845  23.591  9.2508 18.718  6.4052 4.873072       11.25190 
1 1 1 20 10 40 o 23.988  5.1715 6.1213   1.7574  30.272  8.3261 17.703  6.1363 12.56923       10.34300 
1 1 1 20 10 42 o 22.856  4.2357 5.8733   1.6935  15.962  7.5300 29.750  3.8812 -13.78738      8.471366 
1 1 1 20 11 1  o 244.867 1.8408 596.778  6.3323  235.142 2.4798 254.593 2.7212 -19.45148      3.681566 
1 1 1 20 11 3  o 208.039 1.6985 433.155  4.9937  202.809 2.4481 213.270 2.3551 -10.46089      3.397019 
1 1 1 20 11 5  o 399.517 2.6568 1598.09  15.010  397.270 3.7784 401.764 3.7361 -4.494141      5.313647 
1 1 1 20 11 7  o 482.842 3.2408 2329.22  21.177  486.598 5.2797 479.085 3.7598 7.512787       6.481587 
1 1 1 20 11 9  o 213.540 1.8142 455.149  5.2089  214.974 2.9810 212.106 2.0686 2.868744       3.628395 
1 1 1 20 11 11 o 154.967 1.7477 239.755  3.5785  155.818 2.9270 154.116 1.9105 1.702103       3.495343 
1 1 1 20 11 13 o 104.537 1.8590 111.066  2.5540  100.738 3.1520 108.337 1.9717 -7.599670      3.717922 
1 1 1 20 11 15 o 96.625  2.0722 95.276   2.4906  93.340  3.6492 99.911  1.9647 -6.570351      4.144487 
1 1 1 20 11 17 o 119.271 1.6517 143.865  2.7177  113.914 2.6354 124.629 1.9919 -10.71502      3.303477 
1 1 1 20 11 19 o 200.540 1.7102 406.189  4.7744  190.077 2.6728 211.002 2.1342 -20.92477      3.420325 
1 1 1 20 11 21 o 142.131 1.9113 206.821  3.6734  131.729 3.1555 152.533 2.1574 -20.80414      3.822511 
1 1 1 20 11 23 o 109.048 2.0052 116.957  2.7997  112.929 3.4252 105.167 2.0860 7.762512       4.010444 
1 1 1 20 11 25 f 192.746 2.0429 372.460  5.0570  192.550 3.5080 192.942 2.0945 -0.3912506     4.085735 
1 1 1 20 11 27 o 261.721 2.1035 685.652  7.4284  263.372 3.4415 260.069 2.4197 3.302948       4.206992 
1 1 1 20 11 29 o 149.615 1.8668 225.802  3.6567  147.804 3.1639 151.426 1.9825 -3.622330      3.733696 
1 1 1 20 11 31 o 41.848  4.8490 18.272   2.2272  41.321  8.9162 42.375  3.8148 -1.053665      9.697954 
1 1 1 20 11 33 o 79.462  2.1925 62.785   2.2873  81.685  3.6752 77.239  2.3918 4.446266       4.384958 
1 1 1 20 11 35 o 77.675  2.2628 60.911   2.2119  77.707  3.9376 77.643  2.2307 0.6388092E-01  4.525572 
1 1 1 20 11 37 o 20.953  5.3080 3.9342   1.7303  25.539  8.7796 16.367  5.9682 9.171864       10.61605 
1 1 1 20 11 39 o 30.715  5.2681 11.438   2.2425  26.357  9.2179 35.072  5.1029 -8.714634      10.53611 
1 1 1 20 11 41 o 16.872  5.5462 -2.3938  3.2289  17.908  8.1103 15.835  7.5675 2.072908       11.09247 
1 1 1 20 11 43 o 22.081  6.9372 5.3399   4.1945  22.512  10.585 21.650  8.9696 0.8618546      13.87447 
1 1 1 20 12 0  o 70.232  2.5557 49.534   3.5794  70.232  2.5557 ?       ?      0.000000       0.000000 
1 1 1 20 12 2  o 133.449 1.8352 175.600  3.2835  128.382 2.1136 138.516 3.0009 -10.13408      3.670489 
1 1 1 20 12 4  o 65.157  2.1958 42.478   2.0140  65.331  3.2697 64.983  2.9318 0.3479767      4.391614 
1 1 1 20 12 6  f 145.286 1.5888 211.305  3.2616  147.730 2.1885 142.841 2.3038 4.888947       3.177536 
1 1 1 20 12 8  o 221.531 1.9729 488.141  5.9230  225.549 3.1995 217.513 2.3092 8.036057       3.945792 
1 1 1 20 12 10 o 146.292 1.7624 212.719  3.3969  148.574 2.9532 144.010 1.9243 4.564758       3.524778 
1 1 1 20 12 12 o 303.307 2.3494 923.604  9.7740  300.453 3.7662 306.160 2.8097 -5.707245      4.698743 
1 1 1 20 12 14 f 126.416 1.5620 160.860  2.6739  124.187 2.5568 128.645 1.7951 -4.458000      3.124064 
1 1 1 20 12 16 o 123.333 1.7567 154.266  2.8720  119.241 2.9534 127.425 1.9029 -8.184319      3.513353 
1 1 1 20 12 18 o 91.138  2.4701 84.999   2.5776  88.450  4.5037 93.827  2.0305 -5.377243      4.940294 
1 1 1 20 12 20 f 54.432  2.9008 30.364   2.0362  51.955  5.0004 56.909  2.9419 -4.954807      5.801656 
1 1 1 20 12 22 o 77.319  2.2635 57.692   2.2414  82.933  3.8287 71.706  2.4154 11.22720       4.526945 
1 1 1 20 12 24 f 84.665  2.0661 71.258   2.2873  86.153  3.4846 83.177  2.2211 2.976181       4.132277 
1 1 1 20 12 26 o 93.468  2.2655 87.550   2.6603  93.653  3.9453 93.282  2.2280 0.3709030      4.530927 
1 1 1 20 12 28 o 122.583 2.1334 152.009  3.2150  120.996 3.7694 124.170 1.9993 -3.173370      4.266792 
1 1 1 20 12 30 o 44.210  5.1018 21.169   2.3926  41.546  9.5110 46.875  3.6949 -5.328953      10.20350 
1 1 1 20 12 32 o 62.653  2.6128 39.440   2.1035  63.188  4.4769 62.118  2.6953 1.070969       5.225617 
1 1 1 20 12 34 f 32.528  4.7580 10.673   1.9473  37.329  7.6867 27.727  5.6097 9.601753       9.516012 
1 1 1 20 12 36 o 21.520  4.9349 4.3596   1.7850  18.811  8.2723 24.229  5.3834 -5.418434      9.869746 
1 1 1 20 12 38 o 18.522  5.8347 -2.6833  3.3653  21.613  8.9628 15.431  7.4729 6.181639       11.66945 
1 1 1 20 12 40 o 28.470  7.1289 11.131   3.5563  28.131  9.5005 28.808  10.631 -0.6766129     14.25777 
1 1 1 20 12 42 f 25.334  6.9130 9.9374   3.3969  24.578  8.8300 26.090  10.639 -1.511997      13.82597 
1 1 1 20 13 1  o 189.274 1.6868 358.663  4.4846  188.428 2.5430 190.120 2.2167 -1.691574      3.373565 
1 1 1 20 13 3  o 167.292 1.7115 278.145  3.9745  162.319 2.1696 172.266 2.6476 -9.946716      3.422980 
1 1 1 20 13 5  o 55.489  2.2741 31.109   1.7490  53.039  3.5920 57.939  2.7900 -4.900661      4.548261 
1 1 1 20 13 7  o 171.202 1.6362 292.842  3.9292  172.996 2.4695 169.407 2.1470 3.589096       3.272321 
1 1 1 20 13 9  o 264.462 2.1672 698.670  8.0017  267.606 3.3223 261.317 2.7837 6.288879       4.334377 
1 1 1 20 13 11 o 279.418 2.4940 781.459  9.8060  281.085 3.7176 277.752 3.3257 3.332825       4.988048 
1 1 1 20 13 13 o 109.839 1.8048 120.201  2.5058  110.757 3.1275 108.922 1.8021 1.835640       3.609565 
1 1 1 20 13 15 o 78.839  2.4769 66.121   2.3358  71.008  4.4717 86.669  2.1316 -15.66159      4.953787 
1 1 1 20 13 17 o 173.513 1.8089 302.816  4.2393  171.151 2.9684 175.875 2.0680 -4.723969      3.617745 
1 1 1 20 13 19 o 103.513 2.1655 111.510  2.7225  96.911  3.8722 110.116 1.9399 -13.20518      4.330949 
1 1 1 20 13 21 o 119.156 1.7847 141.329  2.7813  120.758 3.0119 117.555 1.9153 3.203209       3.569335 
1 1 1 20 13 23 o 85.579  2.4349 74.097   2.5497  84.322  4.3134 86.837  2.2604 -2.514481      4.869793 
1 1 1 20 13 25 o 45.935  4.8933 22.263   2.3926  44.047  9.0918 47.822  3.6217 -3.774849      9.786616 
1 1 1 20 13 27 o 130.755 2.0059 171.812  3.4141  130.356 3.4102 131.154 2.1129 -0.7987518     4.011701 
1 1 1 20 13 29 f 146.982 1.8759 217.175  3.6389  146.592 3.1506 147.372 2.0371 -0.7803650     3.751823 
1 1 1 20 13 31 o 55.251  3.7304 29.436   2.2998  58.808  6.7737 51.694  3.1270 7.113998       7.460701 
1 1 1 20 13 33 o 38.384  4.8083 17.716   1.9494  31.169  9.0807 45.598  3.1653 -14.42848      9.616588 
1 1 1 20 13 35 o 55.167  3.0832 29.748   2.1785  60.081  5.1889 50.254  3.3316 9.827389       6.166347 
1 1 1 20 13 37 o 42.674  5.2991 20.960   3.0241  36.403  8.8058 48.945  5.8977 -12.54175      10.59830 
1 1 1 20 13 39 o 20.605  6.4831 1.3952   3.7885  19.704  8.7825 21.507  9.5389 -1.803665      12.96623 
1 1 1 20 13 41 o 22.010  6.6998 4.8010   3.7707  21.938  9.3267 22.082  9.6209 -0.1443443     13.39964 
1 1 1 20 14 0  o 13.725  7.7645 2.5402   3.2330  13.725  7.7645 ?       ?      0.000000       0.000000 
1 1 1 20 14 2  o 268.269 2.1932 722.731  8.1766  264.427 3.4278 272.110 2.7369 -7.683472      4.386395 
1 1 1 20 14 4  o 125.749 1.8582 157.331  3.2259  122.850 2.3027 128.648 2.9169 -5.798462      3.716319 
1 1 1 20 14 6  o 120.853 1.8197 146.108  3.0431  121.079 2.8609 120.626 2.2494 0.4530792      3.639327 
1 1 1 20 14 8  o 51.197  2.6963 26.445   1.9302  53.795  3.4342 48.599  4.1578 5.195454       5.392668 
1 1 1 20 14 10 o 225.958 2.0339 510.368  6.3789  224.367 2.5474 227.549 3.1714 -3.181702      4.067809 
1 1 1 20 14 12 o 153.769 1.6669 236.579  3.4863  153.880 2.7013 153.657 1.9537 0.2226868      3.333771 
1 1 1 20 14 14 o 48.425  3.4619 22.875   2.1496  51.057  5.8798 45.793  3.6561 5.263916       6.923796 
1 1 1 20 14 16 o 201.940 1.9015 410.088  5.2940  198.493 3.0249 205.388 2.3049 -6.895004      3.802973 
1 1 1 20 14 18 o 161.806 1.7972 264.084  3.9588  157.992 2.9233 165.621 2.0915 -7.629471      3.594449 
1 1 1 20 14 20 o 19.051  5.6567 0.9861   2.1925  22.721  9.3375 15.382  6.3879 7.338917       11.31347 
1 1 1 20 14 22 o 71.953  3.1463 55.385   2.5402  65.669  5.8023 78.237  2.4351 -12.56792      6.292600 
1 1 1 20 14 24 o 93.702  2.1466 88.508   2.6509  92.594  3.6163 94.811  2.3139 -2.216705      4.293223 
1 1 1 20 14 26 o 56.894  3.1107 32.376   2.1424  57.549  5.5175 56.239  2.8744 1.309994       6.221356 
1 1 1 20 14 28 o 103.661 2.3273 108.599  2.8990  102.844 4.1541 104.478 2.0998 -1.634377      4.654608 
1 1 1 20 14 30 o 106.256 2.2756 112.994  2.8206  106.924 4.1035 105.588 1.9684 1.335732       4.551200 
1 1 1 20 14 32 o 58.730  2.8174 35.757   2.0874  56.253  4.9263 61.208  2.7353 -4.955338      5.634712 
1 1 1 20 14 34 o 22.841  6.6040 2.0727   3.4753  17.844  8.0940 27.839  10.437 -9.995443      13.20795 
1 1 1 20 14 36 o 18.338  6.0283 -3.9954  3.4823  14.399  6.9156 22.277  9.8761 -7.878220      12.05669 
1 1 1 20 14 38 o 17.558  5.8112 -4.0037  3.6859  18.447  8.3746 16.668  8.0588 1.778816       11.62233 
1 1 1 20 14 40 o 27.762  6.8356 10.105   3.8338  34.864  10.047 20.659  9.2709 14.20493       13.67114 
1 1 1 20 15 1  o 202.273 1.6759 409.507  4.7890  201.556 2.4347 202.990 2.3037 -1.433914      3.351826 
1 1 1 20 15 3  o 251.997 2.1217 636.490  7.3238  250.926 3.4051 253.067 2.5322 -2.141129      4.243493 
1 1 1 20 15 5  o 71.066  2.2151 50.609   2.2193  71.720  2.9784 70.413  3.2796 1.306885       4.430213 
1 1 1 20 15 7  o 106.513 1.6111 113.333  2.4124  107.998 2.4056 105.029 2.1438 2.969566       3.222174 
1 1 1 20 15 9  o 111.150 1.6371 123.768  2.5662  112.555 2.2056 109.744 2.4199 2.810883       3.274202 
1 1 1 20 15 11 o 100.322 1.6295 100.801  2.3093  103.084 2.2402 97.559  2.3671 5.524521       3.259063 
1 1 1 20 15 13 o 223.279 1.9150 495.912  5.8437  227.991 3.0640 218.566 2.2980 9.425537       3.830001 
1 1 1 20 15 15 o 305.632 2.5311 929.459  10.093  310.328 4.2788 300.936 2.7050 9.392151       5.062153 
1 1 1 20 15 17 o 93.718  2.1601 89.329   2.5815  90.960  3.7447 96.475  2.1543 -5.515564      4.320193 
1 1 1 20 15 19 f 206.528 1.9951 428.452  5.6050  204.991 3.2388 208.066 2.3308 -3.074188      3.990255 
1 1 1 20 15 21 o 149.471 1.7987 227.228  3.6967  139.735 2.8921 159.207 2.1395 -19.47221      3.597448 
1 1 1 20 15 23 o 145.524 1.9534 213.344  3.8617  143.342 3.1818 147.706 2.2670 -4.363983      3.906808 
1 1 1 20 15 25 o 131.339 2.2172 172.789  3.5149  131.773 3.9431 130.904 2.0287 0.8688965      4.434350 
1 1 1 20 15 27 o 40.932  5.1795 17.118   2.3370  41.732  9.4819 40.132  4.1719 1.600750       10.35909 
1 1 1 20 15 29 o 46.709  5.3222 24.409   2.4550  42.296  10.091 51.123  3.3879 -8.826824      10.64437 
1 1 1 20 15 31 o 40.352  5.5754 18.062   2.2056  37.707  10.590 42.996  3.4911 -5.289558      11.15082 
1 1 1 20 15 33 o 29.805  6.9914 9.6226   3.6451  33.533  9.0757 26.076  10.637 7.457428       13.98271 
1 1 1 20 15 35 o 58.236  5.0099 37.941   3.7633  63.193  5.0247 53.279  8.6687 9.914795       10.01972 
1 1 1 20 15 37 f 25.076  6.4336 7.6584   3.0010  27.268  9.1485 22.883  9.0480 4.384914       12.86711 
1 1 1 20 15 39 o 20.650  6.3764 1.9611   3.7446  23.474  9.5968 17.826  8.3983 5.647945       12.75271 
1 1 1 20 15 41 o 21.255  6.7073 4.1079   4.0957  20.122  9.1349 22.388  9.8236 -2.265862      13.41457 
1 1 1 20 16 0  o 241.217 2.7292 582.403  13.163  241.217 2.7292 ?       ?      0.000000       0.000000 
1 1 1 20 16 2  o 185.216 1.7420 343.469  4.5601  183.562 2.5161 186.870 2.4098 -3.308334      3.483907 
1 1 1 20 16 4  o 158.991 1.8217 253.219  4.0241  158.448 2.8420 159.535 2.2798 -1.086853      3.643453 
1 1 1 20 16 6  o 248.281 1.9736 617.118  6.9235  248.600 2.8564 247.963 2.7241 0.6365662      3.947115 
1 1 1 20 16 8  o 162.676 1.8125 265.695  4.0695  164.665 2.2088 160.688 2.8742 3.976395       3.624937 
1 1 1 20 16 10 o 146.348 1.6324 214.359  3.3751  146.331 2.2488 146.364 2.3667 -0.3300476E-01 3.264710 
1 1 1 20 16 12 f 158.939 1.5796 252.831  3.5503  157.524 2.2356 160.355 2.2322 -2.830872      3.159228 
1 1 1 20 16 14 o 209.614 1.8464 441.519  5.2854  207.123 2.9825 212.105 2.1775 -4.982346      3.692765 
1 1 1 20 16 16 o 28.833  5.3612 8.8258   2.1924  26.068  8.9641 31.598  5.8835 -5.529688      10.72245 
1 1 1 20 16 18 o 186.139 1.8853 349.333  4.7716  182.424 3.0698 189.853 2.1894 -7.429062      3.770575 
1 1 1 20 16 20 o 238.046 2.1872 573.552  7.0669  230.828 3.5766 245.264 2.5187 -14.43633      4.374411 
1 1 1 20 16 22 o 170.312 1.9690 292.864  4.4338  167.439 3.3100 173.185 2.1335 -5.746109      3.938040 
1 1 1 20 16 24 o 88.654  2.8463 79.251   2.9095  88.368  5.1612 88.940  2.4017 -0.5726471     5.692668 
1 1 1 20 16 26 o 75.466  3.0064 56.824   2.5125  76.465  5.5116 74.467  2.4033 1.997826       6.012816 
1 1 1 20 16 28 o 62.766  3.5071 43.321   2.3990  55.707  6.5290 69.825  2.5631 -14.11746      7.014123 
1 1 1 20 16 30 o 26.147  6.2155 6.4972   2.2758  27.774  10.705 24.520  6.3191 3.253344       12.43110 
1 1 1 20 16 32 o 36.235  6.7926 14.732   3.3795  32.368  8.4655 40.102  10.625 -7.734100      13.58524 
1 1 1 20 16 34 o 21.695  6.3670 1.3941   3.4876  24.862  9.3733 18.529  8.6197 6.332922       12.73409 
1 1 1 20 16 36 o 18.617  5.9671 -2.5980  3.6371  20.662  8.8264 16.572  8.0324 4.089735       11.93421 
1 1 1 20 16 38 o 24.272  6.8404 7.0002   3.7442  27.042  9.7822 21.503  9.5641 5.539431       13.68080 
1 1 1 20 16 40 o 18.652  6.0683 0.9616   3.6867  18.841  8.5626 18.464  8.6011 0.3770123      12.13662 
1 1 1 20 17 1  o 129.983 1.5858 168.670  2.9083  123.970 2.2353 135.997 2.2499 -12.02692      3.171576 
1 1 1 20 17 3  o 246.685 2.1051 610.056  7.3279  242.231 3.0984 251.139 2.8505 -8.908615      4.210153 
1 1 1 20 17 5  o 349.815 2.6394 1225.78  13.017  351.462 3.8930 348.168 3.5651 3.294067       5.278781 
1 1 1 20 17 7  o 355.757 2.6398 1267.83  13.173  354.496 3.4526 357.017 3.9942 -2.521301      5.279550 
1 1 1 20 17 9  o 275.422 2.0830 759.342  8.0990  277.595 3.0364 273.248 2.8523 4.347046       4.165975 
1 1 1 20 17 11 o 49.750  2.7927 24.805   1.9561  49.411  3.7389 50.090  4.1493 -0.6791153     5.585337 
1 1 1 20 17 13 o 79.103  2.0432 62.804   2.2801  81.550  2.7609 76.657  3.0125 4.893776       4.086329 
1 1 1 20 17 15 o 94.847  2.0215 89.460   2.5038  96.383  3.4142 93.311  2.1655 3.071968       4.043071 
1 1 1 20 17 17 o 63.251  2.7731 39.156   2.3737  67.938  4.4189 58.563  3.3517 9.374458       5.546212 
1 1 1 20 17 19 o 194.151 2.0276 379.066  5.2686  192.389 3.3609 195.912 2.2691 -3.522827      4.055165 
1 1 1 20 17 21 o 391.907 2.8513 1548.69  15.399  388.581 4.5314 395.233 3.4619 -6.651398      5.702523 
1 1 1 20 17 23 o 279.194 2.3200 787.519  8.8801  274.041 3.7289 284.347 2.7613 -10.30655      4.639940 
1 1 1 20 17 25 o 96.263  2.3970 94.075   2.8770  94.736  4.2049 97.790  2.3024 -3.054253      4.793961 
1 1 1 20 17 27 o 56.561  4.0269 34.360   2.3576  52.674  7.5627 60.448  2.7697 -7.774765      8.053880 
1 1 1 20 17 29 o 95.734  2.1623 92.353   2.6298  95.683  3.7409 95.785  2.1698 -0.1022110     4.324639 
1 1 1 20 17 31 o 45.585  5.8710 22.042   2.8135  46.269  10.898 44.902  4.3716 1.367157       11.74197 
1 1 1 20 17 33 o 59.599  5.0790 39.445   4.0006  64.189  5.3965 55.009  8.6059 9.179523       10.15796 
1 1 1 20 17 35 o 29.887  7.3962 11.727   3.8672  30.452  10.407 29.321  10.512 1.130800       14.79249 
1 1 1 20 17 37 o 31.471  6.8879 13.856   3.3751  31.634  9.5806 31.308  9.8988 0.3260174      13.77587 
1 1 1 20 17 39 o 17.371  5.8170 -1.7089  3.6807  15.825  7.5225 18.918  8.8749 -3.093340      11.63410 
1 1 1 20 18 0  o 59.506  3.4193 35.794   4.0413  59.506  3.4193 ?       ?      0.000000       0.000000 
1 1 1 20 18 2  o 217.979 1.8919 475.571  5.8287  212.317 2.6920 223.642 2.6589 -11.32495      3.783711 
1 1 1 20 18 4  o 247.986 2.0923 615.714  7.3156  248.957 3.0842 247.015 2.8280 1.942032       4.184512 
1 1 1 20 18 6  o 164.531 1.8617 271.079  4.3268  164.228 2.7068 164.835 2.5568 -0.6077271     3.723450 
1 1 1 20 18 8  o 18.607  4.9391 1.5269   1.9233  13.809  6.2049 23.406  7.6863 -9.596998      9.878263 
1 1 1 20 18 10 o 95.885  1.8116 92.119   2.4533  99.406  2.4973 92.365  2.6252 7.041229       3.623298 
1 1 1 20 18 12 o 110.114 1.6907 121.617  2.6240  112.164 2.2647 108.064 2.5109 4.100090       3.381407 
1 1 1 20 18 14 o 119.045 1.6976 141.572  2.8435  121.699 2.5142 116.392 2.2817 5.307037       3.395214 
1 1 1 20 18 16 o 105.508 2.1324 111.138  3.1375  107.722 3.2692 103.293 2.7387 4.428322       4.264771 
1 1 1 20 18 18 o 49.036  4.0168 22.670   2.3263  53.736  7.0908 44.336  3.7762 9.399681       8.033665 
1 1 1 20 18 20 o 64.325  3.1631 42.303   2.5524  62.538  5.5390 66.112  3.0564 -3.574585      6.326264 
1 1 1 20 18 22 o 51.181  5.4784 33.759   2.4550  38.461  10.616 63.902  2.7104 -25.44081      10.95681 
1 1 1 20 18 24 o 34.323  5.1780 13.262   2.2584  29.134  9.3129 39.511  4.5296 -10.37762      10.35602 
1 1 1 20 18 26 o 57.224  3.8477 33.327   2.5242  56.974  6.9918 57.475  3.2143 -0.5007973     7.695311 
1 1 1 20 18 28 f 74.809  2.8791 58.054   2.5273  72.053  5.2081 77.566  2.4562 -5.513382      5.758253 
1 1 1 20 18 30 o 78.450  2.7469 62.857   2.5006  77.783  4.9729 79.117  2.3351 -1.334175      5.493812 
1 1 1 20 18 32 o 35.442  7.1605 15.428   3.8715  39.281  9.0059 31.603  11.135 7.678438       14.32107 
1 1 1 20 18 34 o 30.816  7.1559 12.210   3.5785  30.849  9.4247 30.783  10.771 0.6585693E-01  14.31189 
1 1 1 20 18 36 o 22.193  6.7032 3.5892   3.5839  17.427  7.9162 26.960  10.820 -9.533417      13.40631 
1 1 1 20 18 38 o 22.375  6.6304 5.5295   3.8488  25.548  9.7435 19.203  8.9951 6.345173       13.26077 
1 1 1 20 19 1  o 216.026 1.8333 467.107  5.5947  214.698 2.5277 217.354 2.6561 -2.655426      3.666631 
1 1 1 20 19 3  o 139.712 1.5781 195.118  3.1133  145.451 2.2228 133.973 2.2408 11.47760       3.156243 
1 1 1 20 19 5  o 216.584 1.9710 468.104  5.9832  211.512 2.5930 221.656 2.9692 -10.14500      3.942098 
1 1 1 20 19 7  o 234.111 2.4608 549.790  8.1300  233.359 3.6120 234.862 3.3431 -1.502914      4.921641 
1 1 1 20 19 9  o 117.253 1.7235 137.693  2.8575  117.177 2.4635 117.329 2.4111 -0.1513138     3.447017 
1 1 1 20 19 11 o 72.899  2.2133 53.280   2.2771  73.011  3.2420 72.788  3.0140 0.2226334      4.426613 
1 1 1 20 19 13 o 126.241 1.6816 159.630  3.0021  125.898 2.3845 126.584 2.3716 -0.6859970     3.363106 
1 1 1 20 19 15 o 177.515 1.6908 315.657  4.2416  177.037 2.4458 177.992 2.3353 -0.9547729     3.381658 
1 1 1 20 19 17 o 32.911  5.1950 11.618   2.4771  25.291  8.5936 40.532  5.8400 -15.24092      10.39010 
1 1 1 20 19 19 o 90.370  2.8972 88.811   3.0315  79.489  5.3019 101.251 2.3378 -21.76151      5.794462 
1 1 1 20 19 21 o 44.321  4.8810 21.666   2.4583  39.603  8.9556 49.039  3.8850 -9.436611      9.762002 
1 1 1 20 19 23 o 72.052  3.4639 53.825   2.9626  69.417  6.2376 74.688  3.0146 -5.271080      6.927871 
1 1 1 20 19 25 o 69.117  3.0184 49.022   2.5831  67.232  5.3240 71.001  2.8459 -3.769478      6.036863 
1 1 1 20 19 27 o 76.188  2.7579 58.458   2.7643  77.338  4.6283 75.037  3.0006 2.300224       5.515834 
1 1 1 20 19 29 o 60.744  3.2906 37.472   2.4370  61.558  5.8147 59.930  3.0827 1.628426       6.581273 
1 1 1 20 19 31 o 51.195  6.4041 30.086   4.5097  56.621  8.5648 45.769  9.5233 10.85254       12.80816 
1 1 1 20 19 33 o 40.805  6.0252 21.938   3.4863  53.638  5.5969 27.972  10.672 25.66610       12.05049 
1 1 1 20 19 35 o 26.967  7.3555 9.5213   3.9773  23.605  9.6662 30.329  11.089 -6.723459      14.71093 
1 1 1 20 19 37 o 19.224  6.2618 -0.2637  3.7638  15.047  7.2492 23.402  10.212 -8.355389      12.52360 
1 1 1 20 20 0  o 64.133  3.5333 41.567   4.5031  64.133  3.5333 ?       ?      0.000000       0.000000 
1 1 1 20 20 2  o 138.663 1.7979 192.637  3.5207  144.093 2.4841 133.233 2.5999 10.85930       3.595861 
1 1 1 20 20 4  o 154.109 1.6768 238.205  3.6142  155.550 2.1527 152.668 2.5715 2.882080       3.353569 
1 1 1 20 20 6  o 131.778 1.7964 173.758  3.3445  135.122 2.5636 128.434 2.5172 6.687469       3.592823 
1 1 1 20 20 8  o 113.766 2.0417 126.095  3.0470  120.803 3.3931 106.730 2.2719 14.07296       4.083467 
1 1 1 20 20 10 f 80.671  2.1247 65.128   2.4193  78.498  2.9418 82.843  3.0663 -4.345428      4.249304 
1 1 1 20 20 12 o 137.561 1.7516 189.524  3.4052  133.620 2.5060 141.502 2.4480 -7.882141      3.503212 
1 1 1 20 20 14 o 144.118 1.7866 208.298  3.6362  141.590 2.6096 146.646 2.4408 -5.056671      3.573165 
1 1 1 20 20 16 o 93.361  1.9020 86.889   2.4845  90.111  2.4986 96.610  2.8684 -6.499100      3.804049 
1 1 1 20 20 18 o 63.326  3.0864 40.399   2.6909  63.659  4.8973 62.994  3.7575 0.6647797      6.172725 
1 1 1 20 20 20 o 25.072  6.5238 5.2499   2.7436  26.549  10.627 23.594  7.5706 2.954676       13.04758 
1 1 1 20 20 22 o 36.481  5.5511 15.257   2.4114  31.043  10.248 41.919  4.2694 -10.87582      11.10214 
1 1 1 20 20 24 o 42.037  5.6649 19.683   2.7069  38.183  10.439 45.892  4.4031 -7.708855      11.32982 
1 1 1 20 20 26 o 45.808  3.9214 21.354   2.3916  47.253  6.4754 44.363  4.4246 2.889378       7.842700 
1 1 1 20 20 28 o 60.015  3.9502 40.278   2.5654  53.291  7.3667 66.739  2.8547 -13.44754      7.900454 
1 1 1 20 20 30 o 33.011  5.7062 13.398   2.3455  26.685  10.647 39.337  4.1093 -12.65260      11.41247 
1 1 1 20 20 32 o 42.847  5.1661 21.015   3.0285  37.956  8.0067 47.737  6.5306 -9.781097      10.33230 
1 1 1 20 20 34 o 33.637  7.7735 16.692   4.2368  34.323  10.098 32.951  11.821 1.372330       15.54703 
1 1 1 20 20 36 o 26.034  7.3445 10.289   4.0535  24.775  9.9862 27.294  10.772 -2.518084      14.68902 
1 1 1 20 21 1  o 379.313 2.6052 1444.68  13.969  381.691 3.6150 376.936 3.7525 4.754974       5.210480 
1 1 1 20 21 3  o 182.868 1.8556 335.173  4.7807  183.422 2.4865 182.314 2.7550 1.108566       3.711170 
1 1 1 20 21 5  o 125.895 1.9136 158.799  3.4052  129.124 2.6827 122.667 2.7297 6.456825       3.827274 
1 1 1 20 21 7  o 77.413  2.1092 60.043   2.3078  78.862  3.0015 75.964  2.9640 2.898781       4.218304 
1 1 1 20 21 9  o 70.181  3.0295 50.301   2.8329  67.122  5.0746 73.241  3.3107 -6.118935      6.059085 
1 1 1 20 21 11 o 101.125 1.8861 101.951  2.6321  99.101  2.3302 103.149 2.9664 -4.048531      3.772196 
1 1 1 20 21 13 o 48.304  3.4670 23.555   2.3670  49.260  4.8051 47.348  4.9992 1.912292       6.934056 
1 1 1 20 21 15 o 68.382  2.6111 47.233   2.5084  71.013  3.4145 65.750  3.9512 5.262650       5.222198 
1 1 1 20 21 17 o 82.126  2.2940 67.989   2.6544  84.808  3.0634 79.445  3.4155 5.362358       4.587974 
1 1 1 20 21 19 o 71.219  2.6737 52.933   2.5298  78.466  2.8695 63.972  4.5123 14.49305       5.347391 
1 1 1 20 21 21 o 26.087  5.8966 6.9252   2.4155  25.832  9.1995 26.342  7.3789 -0.5102577     11.79316 
1 1 1 20 21 23 o 35.320  5.7237 13.284   2.6140  36.353  9.5597 34.287  6.2971 2.065895       11.44734 
1 1 1 20 21 25 o 38.373  5.4211 18.324   2.7469  26.304  9.8808 50.441  4.4637 -24.13713      10.84226 
1 1 1 20 21 27 o 19.726  6.0747 0.7621   2.6672  22.410  9.9373 17.042  6.9900 5.368467       12.14949 
1 1 1 20 21 29 o 38.001  6.1507 16.362   2.5277  36.623  11.488 39.380  4.3981 -2.757240      12.30140 
1 1 1 20 21 31 o 26.190  6.5554 7.8188   3.1144  21.259  8.5898 31.121  9.9049 -9.861654      13.11073 
1 1 1 20 21 33 o 22.104  6.6991 3.1824   3.9376  24.703  9.8848 19.505  9.0444 5.198162       13.39810 
1 1 1 20 21 35 o 17.800  5.8661 -3.5590  3.8842  19.971  8.8517 15.629  7.7002 4.341690       11.73226 
1 1 1 20 22 0  o 379.921 3.7542 1446.66  28.520  379.921 3.7542 ?       ?      0.000000       0.000000 
1 1 1 20 22 2  o 275.459 2.1417 760.212  8.3302  272.698 2.9427 278.220 3.1126 -5.521362      4.283447 
1 1 1 20 22 4  o 34.008  4.4874 12.061   2.0768  33.779  6.2146 34.237  6.4749 -0.4580040     8.974747 
1 1 1 20 22 6  o 18.422  5.2196 0.9966   2.1923  21.150  7.7372 15.694  7.0080 5.456172       10.43916 
1 1 1 20 22 8  o 59.562  2.5109 36.068   2.0639  56.198  4.0065 62.927  3.0276 -6.728710      5.021777 
1 1 1 20 22 10 o 71.643  3.0565 51.434   3.0431  73.273  4.7274 70.014  3.8756 3.259567       6.112977 
1 1 1 20 22 12 o 116.851 1.9616 137.011  3.2165  116.953 2.5669 116.749 2.9670 0.2039108      3.923286 
1 1 1 20 22 14 o 163.588 1.8592 268.533  4.3009  161.862 2.6394 165.313 2.6192 -3.450912      3.718439 
1 1 1 20 22 16 o 127.943 1.9143 163.748  3.4399  124.289 2.5548 131.597 2.8516 -7.308502      3.828611 
1 1 1 20 22 18 o 60.879  3.0554 37.815   2.5980  55.332  4.6952 66.427  3.9110 -11.09521      6.110749 
1 1 1 20 22 20 o 94.645  2.1569 89.808   2.8681  92.251  2.8788 97.040  3.2126 -4.788689      4.313736 
1 1 1 20 22 22 o 77.924  3.4231 59.437   3.1093  81.915  6.1316 73.934  3.0454 7.980881       6.846262 
1 1 1 20 22 24 o 28.207  6.0765 8.4758   2.6408  25.624  10.108 30.790  6.7472 -5.166393      12.15291 
1 1 1 20 22 26 o 45.355  5.9444 22.964   2.8992  43.139  11.057 47.571  4.3690 -4.432472      11.88886 
1 1 1 20 22 28 o 24.809  6.6333 5.5815   2.5614  30.601  11.230 19.017  7.0635 11.58406       13.26669 
1 1 1 20 22 30 o 43.977  5.6373 21.330   2.5277  45.283  10.519 42.671  4.0589 2.612122       11.27469 
1 1 1 20 22 32 o 18.620  6.1078 -1.7758  3.5839  15.009  7.1709 22.231  9.8893 -7.221824      12.21563 
1 1 1 20 22 34 o 18.529  5.8580 -1.3371  3.5697  20.931  8.5979 16.126  7.9587 4.804869       11.71602 
1 1 1 20 23 1  o 240.886 2.0086 581.915  6.8382  240.637 2.7830 241.135 2.8970 -0.4978790     4.017157 
1 1 1 20 23 3  o 183.629 1.9393 337.938  4.9902  182.994 2.5239 184.264 2.9451 -1.270203      3.878653 
1 1 1 20 23 5  o 110.140 1.9688 121.878  3.0587  107.224 2.9075 113.055 2.6554 -5.830811      3.937607 
1 1 1 20 23 7  o 104.407 1.9207 109.409  2.8183  104.924 2.5311 103.890 2.8897 1.034424       3.841423 
1 1 1 20 23 9  o 89.007  2.2700 79.538   2.8551  90.389  3.2574 87.626  3.1625 2.763870       4.540048 
1 1 1 20 23 11 o 135.860 2.2557 185.080  4.2156  136.995 3.5821 134.726 2.7425 2.269684       4.511374 
1 1 1 20 23 13 o 142.318 1.9656 203.377  3.9494  142.985 2.8667 141.652 2.6899 1.333206       3.931135 
1 1 1 20 23 15 o 80.869  2.1454 65.708   2.4506  83.743  3.0333 77.995  3.0348 5.748413       4.290859 
1 1 1 20 23 17 o 39.520  4.5949 16.660   2.4028  43.432  5.0512 35.607  7.6772 7.824257       9.189877 
1 1 1 20 23 19 o 129.640 2.0324 169.196  3.7235  131.650 2.8066 127.629 2.9402 4.020523       4.064711 
1 1 1 20 23 21 o 91.353  2.4131 84.028   3.0908  88.545  3.1949 94.161  3.6174 -5.615585      4.826279 
1 1 1 20 23 23 o 48.464  5.3781 24.404   2.8323  49.748  9.8667 47.180  4.2828 2.567928       10.75614 
1 1 1 20 23 25 o 17.108  5.7049 -2.7902  2.5614  21.972  9.8586 12.244  5.7439 9.728539       11.40985 
1 1 1 20 23 27 o 25.073  6.3828 6.3240   2.7446  24.484  10.472 25.661  7.3002 -1.176533      12.76559 
1 1 1 20 23 29 f 43.194  6.0268 23.941   2.8555  36.952  11.297 49.436  4.2042 -12.48348      12.05352 
1 1 1 20 23 31 o 31.807  7.3869 14.602   3.7244  28.843  9.5005 34.771  11.314 -5.928587      14.77379 
1 1 1 20 23 33 o 34.515  6.8631 18.862   3.9292  42.921  8.7771 26.109  10.553 16.81148       13.72629 
1 1 1 20 24 0  o 54.252  4.7517 30.252   5.0804  54.252  4.7517 ?       ?      0.000000       0.000000 
1 1 1 20 24 2  o 52.330  3.4851 27.766   2.5662  53.894  4.6063 50.766  5.2313 3.128071       6.970206 
1 1 1 20 24 4  o 80.254  2.3918 64.776   2.7134  78.888  3.4396 81.621  3.3244 -2.733589      4.783567 
1 1 1 20 24 6  o 131.636 1.8474 173.302  3.4057  129.025 2.4162 134.248 2.7953 -5.223465      3.694832 
1 1 1 20 24 8  f 101.620 2.2096 103.780  3.1742  99.443  3.1350 103.798 3.1147 -4.354973      4.419253 
1 1 1 20 24 10 o 27.505  5.5889 8.0363   2.2862  28.446  7.2767 26.565  8.4848 1.880911       11.17773 
1 1 1 20 24 12 o 116.374 2.0936 136.467  3.4290  118.634 2.7739 114.114 3.1367 4.520271       4.187270 
1 1 1 20 24 14 o 78.693  2.5937 62.441   2.8855  79.486  3.7042 77.899  3.6315 1.586868       5.187358 
1 1 1 20 24 16 o 26.875  6.1369 7.4148   2.6105  25.588  8.0815 28.161  9.2378 -2.573231      12.27386 
1 1 1 20 24 18 o 52.205  3.5212 27.586   2.5774  47.212  5.0136 57.198  4.9457 -9.986588      7.042494 
1 1 1 20 24 20 o 15.997  5.0480 -1.5467  2.3378  16.654  7.2898 15.341  6.9849 1.312708       10.09606 
1 1 1 20 24 22 o 23.381  5.8526 5.3911   2.3368  21.287  7.4528 25.475  9.0260 -4.187969      11.70525 
1 1 1 20 24 24 o 55.925  4.4164 30.318   2.8041  62.095  7.9028 49.754  3.9452 12.34128       8.832821 
1 1 1 20 24 26 o 32.209  6.3945 11.589   2.7810  37.951  10.254 26.468  7.6433 11.48269       12.78895 
1 1 1 20 24 28 o 20.724  5.7493 3.3669   2.6603  18.556  8.5521 22.893  7.6863 -4.337147      11.49860 
1 1 1 20 24 30 o 39.657  5.9722 20.683   2.6567  34.338  11.168 44.976  4.2360 -10.63762      11.94431 
1 1 1 20 24 32 o 22.335  6.7295 6.1618   3.9376  25.003  9.9249 19.667  9.0906 5.336462       13.45892 
1 1 1 20 25 1  o 133.818 1.8453 179.552  3.4868  136.364 2.6672 131.273 2.5508 5.090897       3.690605 
1 1 1 20 25 3  o 43.980  4.4547 19.741   2.7603  42.927  6.0520 45.032  6.5384 -2.104458      8.909364 
1 1 1 20 25 5  o 78.613  2.4563 62.430   2.7122  72.346  3.6708 84.880  3.2648 -12.53383      4.912611 
1 1 1 20 25 7  o 41.159  4.8287 17.706   2.7420  38.838  7.2559 43.481  6.3732 -4.643688      9.657445 
1 1 1 20 25 9  o 22.077  5.6958 3.6009   2.4811  25.900  8.2914 18.253  7.8115 7.646782       11.39159 
1 1 1 20 25 11 o 64.168  3.1474 41.540   2.8435  62.020  4.2820 66.315  4.6141 -4.294670      6.294816 
1 1 1 20 25 13 o 55.467  3.5350 31.301   2.7699  55.031  5.1405 55.903  4.8538 -0.8719482     7.069953 
1 1 1 20 25 15 o 17.657  5.4975 -1.3832  2.6426  17.692  7.3449 17.622  8.1820 0.6989479E-01  10.99509 
1 1 1 20 25 17 o 59.547  3.0954 36.850   2.5284  64.813  3.6521 54.281  4.9988 10.53186       6.190777 
1 1 1 20 25 19 o 37.842  4.9351 16.479   2.4261  46.355  4.7327 29.330  8.6615 17.02487       9.870195 
1 1 1 20 25 21 o 20.986  5.2750 2.0433   2.4961  26.585  7.6324 15.387  7.2835 11.19745       10.54998 
1 1 1 20 25 23 o 67.645  4.7904 48.684   4.3068  69.990  7.9188 65.301  5.3929 4.688042       9.580739 
1 1 1 20 25 25 f 40.714  6.0826 19.406   2.8555  39.072  11.132 42.355  4.9070 -3.282475      12.16527 
1 1 1 20 25 27 o 24.558  6.7570 6.8085   2.9626  27.602  11.005 21.514  7.8439 6.088654       13.51398 
1 1 1 20 25 29 o 23.536  5.9722 6.8968   2.5204  22.636  9.2728 24.437  7.5290 -1.801725      11.94449 
1 1 1 20 25 31 f 20.927  6.6885 4.1931   4.0595  19.401  8.6429 22.453  10.210 -3.051327      13.37696 
1 1 1 20 26 0  o 8.3170  6.0502 -9.0062  5.0804  8.3170  6.0502 ?       ?      0.000000       0.000000 
1 1 1 20 26 2  o 107.183 2.0400 115.565  3.0884  103.552 2.9548 110.813 2.8133 -7.260674      4.079949 
1 1 1 20 26 4  o 150.980 1.9475 229.128  4.1559  152.100 2.6949 149.861 2.8122 2.238388       3.895046 
1 1 1 20 26 6  o 118.075 1.9882 140.076  3.3173  117.430 2.7531 118.719 2.8691 -1.289452      3.976380 
1 1 1 20 26 8  o 102.407 2.2143 105.575  3.2018  103.157 3.0221 101.656 3.2371 1.500465       4.428576 
1 1 1 20 26 10 o 20.110  5.4907 0.6655   2.5662  14.287  6.7156 25.933  8.6885 -11.64662      10.98135 
1 1 1 20 26 12 o 26.168  5.6762 7.1940   2.3614  23.512  8.3663 28.823  7.6734 -5.310827      11.35241 
1 1 1 20 26 14 o 20.848  5.7920 2.1764   2.6842  24.457  8.6582 17.239  7.6958 7.217543       11.58405 
1 1 1 20 26 16 o 25.939  6.1883 6.8918   2.6737  26.663  7.8948 25.216  9.5318 1.446760       12.37666 
1 1 1 20 26 18 o 106.229 2.2092 114.154  3.3133  108.479 3.1932 103.979 3.0538 4.499313       4.418361 
1 1 1 20 26 20 o 91.781  2.3368 85.815   3.0307  93.243  3.2196 90.318  3.3878 2.925301       4.673673 
1 1 1 20 26 22 o 65.064  2.7905 43.661   2.4930  65.423  3.3533 64.706  4.4611 0.7169418      5.580912 
1 1 1 20 26 24 o 20.754  6.4172 2.1823   3.1522  24.879  10.514 16.629  7.3610 8.249943       12.83448 
1 1 1 20 26 26 o 19.452  5.9300 0.7615   3.0918  18.396  8.8276 20.509  7.9203 -2.112068      11.85990 
1 1 1 20 26 28 o 25.670  6.7256 8.6540   3.0148  26.406  10.821 24.934  7.9906 1.471611       13.45113 
1 1 1 20 26 30 o 23.901  5.9287 7.7556   2.4754  23.055  9.0694 24.747  7.6382 -1.691830      11.85732 
1 1 1 20 27 1  o 211.119 2.0497 448.407  6.1196  211.543 2.8928 210.695 2.9045 0.8477173      4.099345 
1 1 1 20 27 3  o 141.318 1.9353 200.701  3.8646  139.564 2.6888 143.072 2.7843 -3.507248      3.870648 
1 1 1 20 27 5  o 72.990  2.7966 53.922   2.8866  72.595  3.9764 73.386  3.9335 -0.7909470     5.593185 
1 1 1 20 27 7  o 61.426  3.2558 38.275   2.8183  59.938  4.4307 62.913  4.7718 -2.974712      6.511624 
1 1 1 20 27 9  o 24.752  6.0095 5.6000   2.7134  29.273  8.6666 20.231  8.3275 9.041346       12.01902 
1 1 1 20 27 11 o 45.844  3.9035 21.784   2.5110  49.479  5.1340 42.208  5.8815 7.270313       7.807021 
1 1 1 20 27 13 o 87.992  2.3217 78.256   2.8762  87.234  3.1105 88.750  3.4477 -1.516518      4.643445 
1 1 1 20 27 15 o 83.706  2.7073 71.305   3.1914  82.223  3.6511 85.188  3.9985 -2.964890      5.414648 
1 1 1 20 27 17 o 45.660  5.2715 23.212   3.1290  48.664  5.5759 42.657  8.9479 6.006733       10.54299 
1 1 1 20 27 19 o 32.583  5.9913 12.655   2.8577  36.889  7.3023 28.277  9.5005 8.612921       11.98262 
1 1 1 20 27 21 o 55.125  3.5352 32.142   2.7274  55.876  4.5462 54.375  5.4149 1.500813       7.070311 
1 1 1 20 27 23 f 43.942  4.3682 21.559   2.7085  41.733  6.2252 46.151  6.1297 -4.418072      8.736486 
1 1 1 20 27 25 o 25.398  7.1983 8.3678   3.5862  28.364  11.490 22.433  8.6736 5.931021       14.39655 
1 1 1 20 27 27 o 20.583  6.0702 1.3415   2.9979  28.552  10.485 12.614  6.1205 15.93815       12.14042 
1 1 1 20 28 0  o 73.035  4.2996 54.384   6.2351  73.035  4.2996 ?       ?      0.000000       0.000000 
1 1 1 20 28 2  o 75.326  2.9806 57.764   3.1742  76.259  4.2395 74.393  4.1906 1.865845       5.961102 
1 1 1 20 28 4  o 76.734  2.7481 59.925   2.9729  80.672  3.7214 72.796  4.0447 7.875916       5.496161 
1 1 1 20 28 6  o 63.320  3.4488 41.067   3.0863  64.370  4.9329 62.270  4.8211 2.099724       6.897510 
1 1 1 20 28 8  o 49.893  3.7256 25.617   2.6265  51.381  5.1686 48.404  5.3672 2.976894       7.451232 
1 1 1 20 28 10 o 65.174  2.9815 43.490   2.7420  62.267  4.3577 68.082  4.0703 -5.815083      5.963004 
1 1 1 20 28 12 o 91.350  2.4667 84.944   3.1658  92.788  3.2354 89.911  3.7242 2.877151       4.933308 
1 1 1 20 28 14 o 60.361  3.4787 37.835   2.9036  60.770  4.2751 59.953  5.4889 0.8168602      6.957317 
1 1 1 20 28 16 o 24.998  6.0598 6.6172   2.6926  27.463  7.8204 22.533  9.2589 4.929884       12.11962 
1 1 1 20 28 18 o 20.444  6.1775 1.4661   3.0063  16.391  7.3380 24.496  9.9397 -8.105068      12.35493 
1 1 1 20 28 20 o 28.804  6.0756 10.623   2.8127  32.905  7.5285 24.702  9.5378 8.203249       12.15111 
1 1 1 20 28 22 o 28.842  6.2389 10.793   2.8123  31.000  7.6681 26.683  9.8436 4.316402       12.47781 
1 1 1 20 28 24 o 25.431  6.2377 8.4866   2.8289  22.162  8.7198 28.700  8.9219 -6.537573      12.47537 
1 1 1 20 28 26 o 17.978  5.8841 0.2394   3.4876  19.421  8.8672 16.534  7.7373 2.887199       11.76829 
1 1 1 20 29 1  o 34.561  5.9449 13.509   2.8866  32.513  8.7033 36.609  8.1005 -4.095627      11.88974 
1 1 1 20 29 3  o 58.678  3.5373 36.203   2.8551  65.376  4.2388 51.981  5.6643 13.39452       7.074697 
1 1 1 20 29 5  f 36.182  6.5104 14.829   3.2678  39.086  9.8846 33.278  8.4756 5.807693       13.02079 
1 1 1 20 29 7  o 17.525  5.5435 -1.6585  2.8341  17.689  7.7376 17.360  7.9405 0.3286915      11.08699 
1 1 1 20 29 9  o 40.117  5.4053 17.830   2.9505  37.964  8.6981 42.269  6.4194 -4.304508      10.81050 
1 1 1 20 29 11 o 20.395  5.8735 1.0845   2.9432  24.600  8.9947 16.190  7.5556 8.409849       11.74702 
1 1 1 20 29 13 o 25.407  6.4421 6.2862   3.2310  29.749  9.0729 21.065  9.1480 8.683443       12.88427 
1 1 1 20 29 15 o 23.210  6.0934 4.4580   2.9977  27.611  8.7642 18.810  8.4678 8.800985       12.18672 
1 1 1 20 29 17 o 29.215  5.8561 10.623   2.5980  25.454  8.5936 32.977  7.9578 -7.522242      11.71218 
1 1 1 20 29 19 o 44.495  5.2554 23.033   3.1602  36.143  8.0374 52.846  6.7733 -16.70258      10.51077 
1 1 1 20 29 21 o 19.731  6.0077 2.8602   2.9515  18.529  7.8666 20.934  9.0823 -2.405003      12.01546 
1 1 1 20 29 23 o 28.087  6.1143 10.939   2.7894  31.575  7.4293 24.600  9.7132 6.974525       12.22869 
1 1 1 20 29 25 o 24.792  6.1256 8.4373   2.6256  25.642  7.7095 23.942  9.5212 1.700123       12.25115 
1 1 1 20 30 0  o 97.825  3.4917 96.990   6.8124  97.825  3.4917 ?       ?      0.000000       0.000000 
1 1 1 20 30 2  o 51.462  4.4926 28.635   3.1753  58.642  5.4147 44.282  7.1705 14.35956       8.985282 
1 1 1 20 30 4  o 33.835  5.9757 13.173   2.8341  31.665  8.1565 36.005  8.7353 -4.340214      11.95136 
1 1 1 20 30 6  o 37.782  6.0202 16.582   3.1440  39.734  8.3961 35.829  8.6299 3.904846       12.04038 
1 1 1 20 30 8  o 49.218  4.3185 25.928   2.9976  49.527  5.8284 48.910  6.3741 0.6166573      8.637078 
1 1 1 20 30 10 o 47.887  4.3915 24.676   2.9662  47.343  5.9753 48.431  6.4371 -1.087704      8.782978 
1 1 1 20 30 12 o 18.909  5.8181 -0.2592  2.8311  14.005  6.5766 23.813  9.5995 -9.807495      11.63628 
1 1 1 20 30 14 o 15.856  5.2196 -3.6913  2.7865  12.497  6.0950 19.216  8.4751 -6.719001      10.43918 
1 1 1 20 30 16 o 22.537  6.0172 5.5982   2.6818  24.393  8.5708 20.681  8.4478 3.711782       12.03432 
1 1 1 20 30 18 o 36.655  5.6565 16.511   2.8127  30.292  7.9170 43.019  8.0812 -12.72699      11.31303 
1 1 1 20 30 20 o 33.353  7.0618 15.772   3.4639  32.038  8.7609 34.668  11.078 -2.630009      14.12364 
1 1 1 20 30 22 o 57.890  3.8276 37.597   3.0699  51.937  5.1133 63.843  5.6970 -11.90661      7.655152 
1 1 1 20 31 1  o 115.882 2.4315 137.518  3.9835  114.188 3.4886 117.576 3.3881 -3.387756      4.863028 
1 1 1 20 31 3  o 52.553  4.1544 29.635   3.0326  53.665  5.1638 51.441  6.5093 2.224140       8.308788 
1 1 1 20 31 5  o 27.611  6.1444 8.8895   2.6470  25.002  8.2027 30.221  9.1504 -5.219307      12.28879 
1 1 1 20 31 7  o 69.341  3.7112 51.035   3.6225  74.298  5.2062 64.385  5.2904 9.912445       7.422417 
1 1 1 20 31 9  o 37.063  6.0110 16.982   3.0560  36.465  7.8251 37.662  9.1267 -1.196850      12.02201 
1 1 1 20 31 11 o 32.677  6.6164 14.208   3.2051  34.939  7.8003 30.414  10.689 4.525839       13.23283 
1 1 1 20 31 13 o 19.625  5.8519 1.9741   2.9258  21.474  8.3785 17.776  8.1718 3.698219       11.70371 
1 1 1 20 31 15 o 16.830  5.3957 -2.7003  3.0424  19.687  8.3270 13.973  6.8640 5.713901       10.79136 
1 1 1 20 31 17 o 20.486  6.0462 3.6938   2.9743  21.604  8.5273 19.367  8.5738 2.236502       12.09238 
1 1 1 20 31 19 o 13.786  4.7364 -5.5608  2.8300  13.005  6.2851 14.566  7.0874 -1.561028      9.472762 
1 1 1 20 32 0  o 94.552  3.4907 91.448   6.5815  94.552  3.4907 ?       ?      0.000000       0.000000 
1 1 1 20 32 2  o 80.379  2.9718 68.161   3.3771  81.885  4.1597 78.872  4.2454 3.012970       5.943658 
1 1 1 20 32 4  o 19.799  6.0869 1.9419   3.1711  20.449  8.8242 19.149  8.3866 1.299364       12.17383 
1 1 1 20 32 6  o 63.784  3.5193 43.737   3.1711  62.196  4.9196 65.372  5.0338 -3.175915      7.038611 
1 1 1 20 32 8  o 54.479  3.9617 32.715   3.0241  56.586  5.1013 52.373  6.0629 4.213783       7.923452 
1 1 1 20 32 10 o 54.360  4.5088 33.739   3.4485  53.608  6.0309 55.113  6.7042 -1.504887      9.017652 
1 1 1 20 32 12 o 21.540  6.3748 3.4422   3.2883  16.125  7.4512 26.954  10.346 -10.82950      12.74966 
1 1 1 20 32 14 f 14.159  4.8751 -7.5982  3.1165  13.284  6.5430 15.034  7.2287 -1.750456      9.750147 
1 1 1 20 32 16 o 20.759  6.2195 5.0274   3.1976  21.763  8.8812 19.755  8.7095 2.007601       12.43905 
1 1 1 20 33 1  o 20.971  6.2184 2.2535   3.4023  25.926  9.8428 16.017  7.6023 9.908726       12.43684 
1 1 1 20 33 3  o 21.515  6.1443 4.9310   2.9342  22.643  8.6917 20.388  8.6871 2.255022       12.28868 
1 1 1 20 33 5  o 41.484  5.9813 22.957   3.4232  51.043  6.3339 31.926  10.148 19.11706       11.96270 
1 1 1 20 33 7  o 70.624  3.4118 54.268   3.4062  69.479  4.9025 71.768  4.7461 -2.288910      6.823500 
1 1 1 20 33 9  o 68.236  4.1710 52.830   4.0072  66.642  6.2374 69.831  5.5392 -3.188965      8.341972 
1 1 1 20 33 11 o 45.109  5.1960 25.590   3.2320  42.296  7.8000 47.923  6.8668 -5.626526      10.39198 
1 1 1 20 33 13 o 38.475  6.6864 22.703   3.6804  45.437  6.4801 31.512  11.698 13.92445       13.37284 
1 1 1 20 34 0  o 15.049  9.7133 2.7712   6.5815  15.049  9.7133 ?       ?      0.000000       0.000000 
1 1 1 20 34 2  o 30.358  6.6798 13.890   3.2018  32.164  9.2161 28.551  9.6717 3.612843       13.35958 
1 1 1 20 34 4  o 25.310  6.9219 10.072   3.4876  23.605  9.2519 27.015  10.298 -3.410311      13.84383 
1 1 1 20 34 6  o 19.311  6.0525 3.0142   3.2816  19.267  8.4516 19.354  8.6662 -0.8717918E-01 12.10504 
1 1 1 20 34 8  o 20.397  6.1485 4.0846   3.1959  21.587  8.6956 19.207  8.6949 2.379173       12.29693 
1 1 1 21 1  0  o 73.030  2.7756 53.576   4.0413  73.030  2.7756 ?       ?      0.000000       0.000000 
1 1 1 21 1  2  o 442.055 2.9843 1964.62  18.191  449.886 3.6188 434.223 4.7465 15.66245       5.968675 
1 1 1 21 1  4  o 240.557 2.1816 580.005  7.3532  243.373 2.8229 237.740 3.3269 5.633423       4.363122 
1 1 1 21 1  6  o 162.434 1.7726 264.421  3.8195  163.157 1.9461 161.712 2.9632 1.445297       3.545117 
1 1 1 21 1  8  o 47.171  2.8474 22.100   1.8012  46.202  3.2489 48.140  4.6771 -1.938595      5.694741 
1 1 1 21 1  10 o 167.665 1.7217 282.303  3.9025  169.536 1.9751 165.794 2.8206 3.741898       3.443321 
1 1 1 21 1  12 o 100.315 1.7528 100.605  2.4704  99.743  2.3152 100.887 2.6323 -1.143990      3.505642 
1 1 1 21 1  14 o 45.159  3.4409 20.437   2.0999  45.175  3.9617 45.142  5.6271 0.3279877E-01  6.881820 
1 1 1 21 1  16 o 135.396 2.1015 181.352  3.7252  131.913 2.2758 138.879 3.5335 -6.966675      4.202937 
1 1 1 21 1  18 o 62.548  2.5213 40.378   1.9929  66.215  2.4413 58.882  4.4122 7.333015       5.042529 
1 1 1 21 1  20 f 147.474 2.0015 220.458  3.7862  151.193 2.0238 143.755 3.4538 7.438065       4.003027 
1 1 1 21 1  22 o 76.804  2.1165 57.627   2.2386  69.345  2.7474 84.263  3.2202 -14.91747      4.232929 
1 1 1 21 1  24 o 78.606  2.3673 62.006   2.6240  79.751  3.1852 77.462  3.5029 2.288872       4.734543 
1 1 1 21 1  26 o 96.955  1.9199 93.922   2.6011  98.483  2.9311 95.426  2.4805 3.057236       3.839788 
1 1 1 21 1  28 o 126.718 1.7268 161.063  3.0863  124.412 2.5522 129.025 2.3267 -4.613480      3.453635 
1 1 1 21 1  30 o 49.601  3.2452 24.884   2.2146  49.080  5.1757 50.123  3.9162 -1.042721      6.490331 
1 1 1 21 1  32 o 101.492 2.1550 103.456  2.8145  101.395 2.2206 101.588 3.6940 -0.1923904     4.310017 
1 1 1 21 1  34 o 92.343  2.3079 86.091   2.7369  93.019  2.3585 91.667  3.9678 1.351357       4.615792 
1 1 1 21 1  36 o 41.738  4.3149 17.191   2.3975  36.226  5.2592 47.251  6.8422 -11.02531      8.629887 
1 1 1 21 1  38 o 29.125  5.7354 9.2748   2.2892  28.321  6.4600 29.929  9.4789 -1.608498      11.47089 
1 1 1 21 1  40 o 24.469  5.0210 6.1639   2.0973  16.803  7.0124 32.134  7.1881 -15.33143      10.04207 
1 1 1 21 1  42 o 24.153  5.9935 7.0575   2.5158  24.596  7.7730 23.710  9.1252 0.8858013      11.98705 
1 1 1 21 1  44 o 27.732  5.2994 10.404   2.4951  35.845  6.6912 19.619  8.2197 16.22569       10.59884 
1 1 1 21 2  1  o 226.006 1.9183 511.149  6.1000  226.637 2.5474 225.375 2.8690 1.261597       3.836690 
1 1 1 21 2  3  o 390.279 3.0894 1532.13  16.550  397.201 3.6918 383.357 4.9546 13.84409       6.178830 
1 1 1 21 2  5  o 261.429 2.0076 683.068  7.2222  260.452 2.4383 262.406 3.1902 -1.954468      4.015267 
1 1 1 21 2  7  o 289.943 2.1193 841.784  8.5258  290.937 2.6392 288.949 3.3167 1.987488       4.238612 
1 1 1 21 2  9  f 307.926 2.3912 948.428  9.9039  307.510 2.7222 308.342 3.9319 -0.8312683     4.782332 
1 1 1 21 2  11 f 174.826 1.7518 307.192  4.1942  177.644 2.0799 172.008 2.8194 5.636047       3.503555 
1 1 1 21 2  13 f 187.611 1.8039 348.350  4.5306  182.355 2.0579 192.867 2.9634 -10.51228      3.607874 
1 1 1 21 2  15 o 147.067 1.6996 217.714  3.4525  150.747 2.0681 143.387 2.6976 7.359894       3.399143 
1 1 1 21 2  17 o 78.983  2.3156 63.693   2.3737  82.367  2.3831 75.599  3.9710 6.767471       4.631248 
1 1 1 21 2  19 o 96.314  2.0608 92.704   2.7759  95.276  2.6662 97.352  3.1430 -2.075775      4.121538 
1 1 1 21 2  21 o 110.492 1.7153 121.189  2.6594  103.527 2.3422 117.458 2.5067 -13.93162      3.430648 
1 1 1 21 2  23 o 71.078  2.3079 50.451   2.2732  72.076  3.6045 70.080  2.8833 1.995789       4.615813 
1 1 1 21 2  25 o 118.464 1.7923 140.487  2.9976  119.456 2.6098 117.473 2.4573 1.983162       3.584568 
1 1 1 21 2  27 o 127.562 1.6646 162.993  3.0010  127.860 2.3028 127.264 2.4043 0.5960770      3.329185 
1 1 1 21 2  29 o 31.319  5.4138 10.356   2.2703  30.759  9.0032 31.879  6.0150 -1.119913      10.82764 
1 1 1 21 2  31 o 19.274  5.7819 0.3999   2.7420  18.826  8.0655 19.722  8.2868 -0.8965588     11.56388 
1 1 1 21 2  33 o 23.579  5.5650 5.1011   2.3134  26.495  7.0607 20.662  8.6035 5.832878       11.12991 
1 1 1 21 2  35 o 79.412  2.6393 62.602   2.8074  75.781  3.0473 83.044  4.3103 -7.262634      5.278680 
1 1 1 21 2  37 o 34.960  5.2242 13.816   2.4367  39.840  5.2167 30.080  9.0529 9.760828       10.44839 
1 1 1 21 2  39 o 42.070  5.1560 20.634   2.6509  48.122  4.5588 36.018  9.2496 12.10464       10.31203 
1 1 1 21 2  41 o 26.041  5.5238 8.2702   2.3815  30.448  6.4536 21.634  8.9667 8.814545       11.04764 
1 1 1 21 2  43 o 35.216  5.8095 15.483   2.7525  31.160  7.4921 39.271  8.8808 -8.110281      11.61892 
1 1 1 21 3  0  o 646.992 7.7835 4194.71  100.685 646.992 7.7835 ?       ?      0.000000       0.000000 
1 1 1 21 3  2  o 455.106 3.6721 2076.06  23.003  456.640 4.4503 453.572 5.8423 3.068115       7.344234 
1 1 1 21 3  4  o 249.403 1.9426 622.922  6.8353  245.939 2.8639 252.867 2.6256 -6.927765      3.885266 
1 1 1 21 3  6  o 183.557 1.6024 336.979  4.1495  183.963 2.3537 183.150 2.1750 0.8128357      3.204762 
1 1 1 21 3  8  o 242.361 2.0049 588.082  6.7023  242.973 2.4474 241.749 3.1762 1.224335       4.009706 
1 1 1 21 3  10 o 203.577 1.7924 412.573  5.0448  199.521 2.2280 207.634 2.8083 -8.112473      3.584774 
1 1 1 21 3  12 o 189.138 1.7269 357.071  4.5097  187.410 2.1256 190.865 2.7223 -3.455032      3.453824 
1 1 1 21 3  14 o 159.953 1.6493 255.952  3.6218  159.893 1.9859 160.014 2.6338 -0.1212463     3.298583 
1 1 1 21 3  16 o 46.149  3.0651 22.400   1.8652  38.823  5.2047 53.475  3.2388 -14.65197      6.130160 
1 1 1 21 3  18 o 162.026 1.6008 262.754  3.6658  158.054 2.3012 165.998 2.2259 -7.944153      3.201551 
1 1 1 21 3  20 o 43.036  3.2248 18.563   1.9612  44.105  4.5814 41.967  4.5397 2.138546       6.449652 
1 1 1 21 3  22 o 62.973  2.3723 39.813   2.1068  60.909  3.5070 65.038  3.1956 -4.128887      4.744604 
1 1 1 21 3  24 o 131.773 1.7047 173.682  3.1658  133.209 2.5137 130.336 2.3033 2.872742       3.409398 
1 1 1 21 3  26 o 129.890 1.6666 169.040  3.0598  127.490 2.4000 132.290 2.3130 -4.800308      3.333166 
1 1 1 21 3  28 o 13.697  4.5198 -4.5475  2.1790  13.445  6.4981 13.948  6.2839 -0.5032997     9.039511 
1 1 1 21 3  30 o 103.774 1.8520 107.977  2.7024  104.060 2.7740 103.488 2.4546 0.5719757      3.704074 
1 1 1 21 3  32 o 45.255  4.0050 20.160   2.4261  41.192  4.7652 49.318  6.4384 -8.125477      8.009994 
1 1 1 21 3  34 o 37.015  4.7020 14.687   2.2169  39.635  4.6611 34.395  8.1676 5.239742       9.404061 
1 1 1 21 3  36 o 28.184  5.3715 8.7753   2.1983  30.491  6.4470 25.876  8.5935 4.615572       10.74300 
1 1 1 21 3  38 o 22.540  5.5802 4.5744   2.3292  17.816  7.4229 27.264  8.3341 -9.448654      11.16050 
1 1 1 21 3  40 o 26.953  5.3007 8.3610   2.3772  33.356  6.2880 20.550  8.5354 12.80574       10.60149 
1 1 1 21 3  42 o 30.537  6.1774 11.706   2.8127  24.397  8.3022 36.678  9.1496 -12.28106      12.35478 
1 1 1 21 3  44 o 25.628  6.5657 9.8102   2.9080  24.427  8.1021 26.829  10.334 -2.401911      13.13143 
1 1 1 21 4  1  o 554.046 3.7623 3072.08  29.238  550.995 4.9246 557.098 5.6893 -6.102661      7.524608 
1 1 1 21 4  3  o 594.269 3.6335 3534.26  30.505  585.309 5.0403 603.228 5.2351 -17.91882      7.267091 
1 1 1 21 4  5  o 465.176 2.8740 2165.69  18.902  468.997 4.0991 461.356 4.0294 7.641235       5.747951 
1 1 1 21 4  7  o 145.447 1.5164 211.575  3.1165  149.991 2.1170 140.903 2.1716 9.088028       3.032716 
1 1 1 21 4  9  o 47.089  2.8159 22.107   1.8652  48.739  4.1458 45.438  3.8117 3.301750       5.631773 
1 1 1 21 4  11 o 140.149 1.6904 197.068  3.1895  141.272 1.9207 139.025 2.7823 2.246796       3.380853 
1 1 1 21 4  13 o 250.369 1.8832 627.240  6.6680  249.367 2.6624 251.372 2.6642 -2.004730      3.766468 
1 1 1 21 4  15 o 157.343 1.6098 247.620  3.5710  156.633 2.1746 158.054 2.3742 -1.421494      3.219649 
1 1 1 21 4  17 o 37.291  4.1802 13.957   2.1338  33.054  5.9836 41.528  5.8388 -8.474445      8.360320 
1 1 1 21 4  19 o 106.596 1.7426 113.733  2.6265  106.597 2.4372 106.595 2.4914 0.2182007E-02  3.485219 
1 1 1 21 4  21 o 54.239  2.6367 29.501   2.0206  55.569  3.6362 52.908  3.8191 2.661034       5.273327 
1 1 1 21 4  23 o 28.132  4.8506 8.1521   2.1037  35.203  5.7400 21.062  7.8209 14.14060       9.701262 
1 1 1 21 4  25 o 54.904  2.5699 30.270   1.9913  52.436  3.7434 57.373  3.5219 -4.936611      5.139774 
1 1 1 21 4  27 o 27.205  5.4854 7.7046   2.2043  26.884  8.2405 27.526  7.2425 -0.6423931     10.97083 
1 1 1 21 4  29 o 41.252  3.8081 17.138   2.2133  43.531  5.4376 38.973  5.3328 4.557930       7.616177 
1 1 1 21 4  31 o 22.391  5.8594 4.1433   2.4704  22.012  8.4951 22.770  8.0725 -0.7584782     11.71890 
1 1 1 21 4  33 o 39.701  4.6950 16.703   2.4845  42.464  5.3023 36.939  7.7496 5.525051       9.389929 
1 1 1 21 4  35 o 36.444  4.7040 14.023   2.3093  34.428  6.2688 38.459  7.0152 -4.031181      9.408056 
1 1 1 21 4  37 o 32.534  5.7411 11.515   2.5540  28.081  7.4733 36.988  8.7172 -8.907007      11.48213 
1 1 1 21 4  39 f 42.188  5.0490 20.674   2.6739  48.694  4.7424 35.682  8.9151 13.01219       10.09796 
1 1 1 21 4  41 o 18.251  5.6443 0.8629   2.6545  15.047  6.8407 21.456  8.9798 -6.408595      11.28852 
1 1 1 21 4  43 o 25.679  6.1115 8.6079   2.7931  28.933  7.9429 22.426  9.2904 6.507746       12.22295 
1 1 1 21 5  0  o 17.458  8.3781 4.5031   3.3485  17.458  8.3781 ?       ?      0.000000       0.000000 
1 1 1 21 5  2  o 299.110 2.4003 892.631  10.031  294.248 3.1000 303.972 3.6656 -9.724213      4.800681 
1 1 1 21 5  4  o 220.384 1.9544 485.917  6.0895  220.137 2.7275 220.632 2.7998 -0.4946289     3.908735 
1 1 1 21 5  6  o 238.859 2.0181 570.916  6.8046  238.492 2.9533 239.226 2.7512 -0.7341156     4.036172 
1 1 1 21 5  8  o 159.579 1.6243 254.623  3.6640  162.327 2.3117 156.831 2.2823 5.496078       3.248569 
1 1 1 21 5  10 o 71.599  2.1000 50.944   2.0404  73.082  3.3969 70.117  2.4701 2.965385       4.200014 
1 1 1 21 5  12 o 282.791 2.1901 801.517  8.3992  281.549 3.5679 284.034 2.5407 -2.485199      4.380105 
1 1 1 21 5  14 o 175.024 1.7608 306.312  4.3540  177.643 2.5349 172.406 2.4445 5.236664       3.521565 
1 1 1 21 5  16 o 127.044 1.5762 161.624  2.8277  125.315 2.3035 128.772 2.1520 -3.457024      3.152308 
1 1 1 21 5  18 o 129.976 1.5240 169.070  2.7997  126.779 2.1858 133.173 2.1242 -6.394302      3.047952 
1 1 1 21 5  20 o 100.743 1.6814 101.479  2.3928  98.969  2.3333 102.516 2.4216 -3.546822      3.362801 
1 1 1 21 5  22 o 101.821 1.7500 103.588  2.4845  102.829 2.6949 100.812 2.2334 2.017509       3.500093 
1 1 1 21 5  24 o 28.867  5.3103 8.7510   2.1923  30.334  7.4637 27.400  7.5558 2.933578       10.62062 
1 1 1 21 5  26 o 71.172  2.2385 50.769   2.2456  71.648  3.3037 70.696  3.0215 0.9522476      4.477023 
1 1 1 21 5  28 o 76.093  2.4425 58.076   2.6189  76.798  3.6084 75.389  3.2929 1.408501       4.885038 
1 1 1 21 5  30 o 81.045  2.3944 65.997   2.7347  81.592  3.5379 80.499  3.2273 1.093216       4.788746 
1 1 1 21 5  32 o 21.319  5.5497 -0.3695  2.8820  13.872  6.7543 28.767  8.8078 -14.89485      11.09943 
1 1 1 21 5  34 f 117.901 2.0526 139.407  3.1803  117.153 2.2176 118.648 3.4547 -1.495445      4.105218 
1 1 1 21 5  36 o 98.449  2.2994 97.805   3.0296  98.207  2.5866 98.691  3.8024 -0.4839783     4.598737 
1 1 1 21 5  38 o 31.946  6.0069 11.734   2.7279  31.749  7.7046 32.143  9.2181 -0.3939056     12.01390 
1 1 1 21 5  40 o 20.150  5.8412 2.8682   2.6692  20.577  8.0038 19.723  8.5099 0.8542137      11.68242 
1 1 1 21 5  42 o 15.136  4.9954 -2.9985  2.6256  15.108  6.7841 15.165  7.3343 -0.5644417E-01 9.990799 
1 1 1 21 5  44 o 16.749  5.4735 -1.0184  3.0666  16.966  7.5189 16.532  7.9562 0.4331970      10.94690 
1 1 1 21 6  1  o 279.600 2.1039 782.281  8.3034  279.254 3.0804 279.946 2.8665 -0.6925964     4.207838 
1 1 1 21 6  3  o 218.133 1.9090 474.826  5.8610  223.022 2.8216 213.244 2.5720 9.778046       3.817924 
1 1 1 21 6  5  f 201.482 1.7729 404.889  5.0237  196.518 2.3796 206.447 2.6287 -9.929688      3.545759 
1 1 1 21 6  7  o 40.592  3.0567 16.201   1.7225  44.139  4.5778 37.045  4.0519 7.094353       6.113478 
1 1 1 21 6  9  o 47.525  3.1084 22.885   1.8407  46.535  5.4588 48.516  2.9749 -1.981113      6.216782 
1 1 1 21 6  11 o 135.334 1.4332 182.554  2.6348  136.819 2.3208 133.849 1.6822 2.969955       2.866300 
1 1 1 21 6  13 o 163.062 1.7167 264.968  3.7411  164.759 2.8383 161.364 1.9320 3.394577       3.433425 
1 1 1 21 6  15 o 62.325  2.2969 37.858   1.9151  66.612  3.7268 58.037  2.6858 8.574936       4.593732 
1 1 1 21 6  17 o 26.867  4.3963 8.1469   1.7831  18.291  7.9544 35.442  3.7465 -17.15176      8.792507 
1 1 1 21 6  19 o 105.117 1.6503 110.485  2.4506  103.362 2.2900 106.871 2.3769 -3.509026      3.300593 
1 1 1 21 6  21 o 139.768 1.6505 195.539  3.2616  137.415 2.3527 142.122 2.3154 -4.706451      3.301003 
1 1 1 21 6  23 o 68.400  2.2735 47.276   2.1338  66.314  3.6565 70.486  2.7029 -4.172859      4.547038 
1 1 1 21 6  25 o 91.617  1.8504 84.114   2.3955  94.325  2.5707 88.910  2.6623 5.414963       3.700809 
1 1 1 21 6  27 o 65.989  2.7520 44.050   2.5402  60.346  4.2094 71.632  3.5462 -11.28586      5.504050 
1 1 1 21 6  29 o 124.406 1.7270 155.355  3.0241  122.953 2.5825 125.860 2.2935 -2.907234      3.453923 
1 1 1 21 6  31 f 35.444  5.0180 13.333   2.4451  32.402  8.0449 38.487  6.0002 -6.085178      10.03606 
1 1 1 21 6  33 o 19.242  5.6902 1.0236   2.4520  16.384  6.9878 22.099  8.9825 -5.714594      11.38045 
1 1 1 21 6  35 o 56.483  3.4122 32.881   2.6470  58.170  4.0691 54.797  5.4786 3.373734       6.824423 
1 1 1 21 6  37 o 75.400  2.9196 58.665   3.0206  78.342  3.4635 72.457  4.7010 5.885376       5.839128 
1 1 1 21 6  39 o 26.838  5.6349 7.4795   2.5659  18.328  7.6246 35.348  8.2991 -17.02064      11.26989 
1 1 1 21 6  41 o 29.954  5.9322 11.551   2.8300  35.734  7.1998 24.173  9.4300 11.56149       11.86434 
1 1 1 21 6  43 o 23.774  6.4089 7.1005   2.9515  19.642  8.0665 27.905  9.9612 -8.263088      12.81773 
1 1 1 21 7  0  o 316.179 3.7809 1000.62  23.901  316.179 3.7809 ?       ?      0.000000       0.000000 
1 1 1 21 7  2  o 280.497 2.3606 787.618  9.3352  281.361 3.1804 279.634 3.4891 1.727203       4.721136 
1 1 1 21 7  4  o 71.007  1.8701 50.334   1.8652  72.142  2.8009 69.871  2.4788 2.271019       3.740258 
1 1 1 21 7  6  o 110.134 1.6264 121.043  2.4553  111.071 2.5989 109.197 1.9562 1.873940       3.252831 
1 1 1 21 7  8  f 67.620  2.0093 46.383   1.8403  64.712  3.3009 70.529  2.2920 -5.817513      4.018620 
1 1 1 21 7  10 o 181.122 1.6966 326.200  4.1598  184.341 2.7560 177.903 1.9795 6.438095       3.393247 
1 1 1 21 7  12 o 281.773 2.1610 794.443  8.3174  282.080 3.4793 281.466 2.5639 0.6141052      4.321959 
1 1 1 21 7  14 o 115.259 1.7002 133.367  2.6139  114.316 2.8281 116.202 1.8879 -1.885841      3.400382 
1 1 1 21 7  16 o 188.986 1.8639 355.723  4.7110  191.351 3.0774 186.621 2.1036 4.730087       3.727713 
1 1 1 21 7  18 o 293.368 2.2263 859.208  8.8352  295.979 3.6280 290.757 2.5813 5.221710       4.452590 
1 1 1 21 7  20 o 99.276  1.9683 99.909   2.5948  96.142  3.3027 102.409 2.1422 -6.267128      3.936610 
1 1 1 21 7  22 o 184.597 1.7657 341.992  4.3980  183.307 2.8975 185.886 2.0188 -2.578400      3.531436 
1 1 1 21 7  24 o 38.920  3.9149 15.357   2.1361  35.953  5.9414 41.886  5.0997 -5.933479      7.829881 
1 1 1 21 7  26 o 47.917  3.2182 23.093   2.1338  47.884  5.0638 47.950  3.9733 -0.6537247E-01 6.436496 
1 1 1 21 7  28 o 26.383  5.7407 7.1018   2.3928  24.141  8.3881 28.625  7.8398 -4.483295      11.48141 
1 1 1 21 7  30 o 49.759  3.6540 25.119   2.5662  49.561  5.3584 49.957  4.9692 -0.3958969     7.307925 
1 1 1 21 7  32 o 89.099  2.3458 79.874   2.9160  88.676  2.9948 89.523  3.6114 -0.8476257     4.691581 
1 1 1 21 7  34 o 47.755  3.6359 23.599   2.3538  50.058  4.1519 45.452  5.9699 4.606087       7.271716 
1 1 1 21 7  36 o 95.691  2.4043 92.901   3.1103  95.951  2.7677 95.431  3.9322 0.5198898      4.808634 
1 1 1 21 7  38 o 57.074  3.4219 35.156   2.5158  62.558  3.4146 51.589  5.9311 10.96845       6.843776 
1 1 1 21 7  40 o 23.912  5.8431 6.4783   2.6348  27.607  7.8074 20.217  8.6954 7.389524       11.68611 
1 1 1 21 7  42 o 23.402  6.0887 6.9266   2.6693  24.267  8.3923 22.537  8.8238 1.729340       12.17747 
1 1 1 21 8  1  o 552.302 3.7365 3059.68  29.068  557.716 4.9895 546.888 5.5633 10.82758       7.472937 
1 1 1 21 8  3  o 211.635 1.8885 446.953  5.4661  213.486 3.0288 209.784 2.2566 3.702042       3.777014 
1 1 1 21 8  5  o 21.235  5.0785 4.0465   1.7932  20.491  7.9969 21.980  6.2621 -1.488890      10.15699 
1 1 1 21 8  7  o 29.645  4.6099 10.201   1.8073  22.089  8.4341 37.202  3.7245 -15.11247      9.219876 
1 1 1 21 8  9  o 200.664 2.1711 400.918  5.2723  202.240 3.8538 199.089 2.0009 3.151093       4.342241 
1 1 1 21 8  11 o 224.794 1.8980 504.564  5.7441  226.176 3.1141 223.413 2.1707 2.763031       3.795963 
1 1 1 21 8  13 o 202.890 1.8930 412.166  5.2474  202.648 3.0483 203.132 2.2453 -0.4836731     3.785957 
1 1 1 21 8  15 o 159.376 1.6573 254.790  3.7217  154.465 2.4668 164.287 2.2139 -9.821838      3.314561 
1 1 1 21 8  17 o 171.674 1.7636 295.733  4.1006  170.370 2.8803 172.977 2.0359 -2.607330      3.527227 
1 1 1 21 8  19 o 150.892 1.9452 225.755  3.7435  153.638 3.3443 148.146 1.9875 5.491394       3.890319 
1 1 1 21 8  21 o 81.372  1.9533 66.813   2.1194  79.755  3.2574 82.989  2.1565 -3.233810      3.906584 
1 1 1 21 8  23 o 180.965 1.8009 327.702  4.4556  181.527 2.8941 180.404 2.1441 1.122513       3.601842 
1 1 1 21 8  25 o 154.629 1.8955 239.510  3.8301  154.672 3.2100 154.585 2.0167 0.8679199E-01  3.790942 
1 1 1 21 8  27 o 56.528  3.0416 31.572   2.2425  58.685  5.1156 54.371  3.2916 4.313652       6.083117 
1 1 1 21 8  29 o 94.335  2.5070 89.309   3.1682  94.870  4.1381 93.801  2.8312 1.068855       5.013926 
1 1 1 21 8  31 o 83.325  2.5722 70.168   2.8720  82.747  4.2560 83.903  2.8900 -1.155861      5.144423 
1 1 1 21 8  33 o 31.431  5.1960 10.703   2.2801  28.689  7.8320 34.173  6.8302 -5.484299      10.39193 
1 1 1 21 8  35 o 38.043  5.1467 15.841   2.6818  46.616  5.9446 29.470  8.4032 17.14624       10.29332 
1 1 1 21 8  37 o 15.427  5.0839 -4.0044  2.7024  15.686  7.3473 15.167  7.0286 0.5188160      10.16778 
1 1 1 21 8  39 o 57.581  3.1190 34.513   2.5284  56.149  4.2156 59.012  4.5981 -2.863407      6.238075 
1 1 1 21 8  41 o 21.249  5.8422 4.7852   2.5284  19.073  7.8019 23.425  8.6980 -4.352654      11.68442 
1 1 1 21 8  43 o 33.745  5.6108 15.645   2.7663  27.396  9.0584 40.095  6.6236 -12.69886      11.22168 
1 1 1 21 9  0  o 8.7993  6.0671 -2.0784  3.3485  8.7993  6.0671 ?       ?      0.000000       0.000000 
1 1 1 21 9  2  o 19.571  4.8610 2.5384   1.7227  25.332  7.7283 13.810  5.8983 11.52202       9.722010 
1 1 1 21 9  4  f 309.376 2.3124 956.291  9.6053  310.799 3.8080 307.952 2.6246 2.847687       4.624836 
1 1 1 21 9  6  o 103.930 1.5787 108.493  2.2187  102.701 2.5859 105.159 1.8117 -2.458366      3.157359 
1 1 1 21 9  8  o 242.334 2.0315 583.382  6.4991  246.451 3.3967 238.217 2.2296 8.233673       4.063097 
1 1 1 21 9  10 f 267.145 2.2114 711.922  7.7382  269.177 3.7319 265.113 2.3736 4.063782       4.422806 
1 1 1 21 9  12 o 194.902 1.8490 379.385  4.7654  195.873 3.0948 193.931 2.0243 1.941422       3.698070 
1 1 1 21 9  14 f 115.078 2.0230 131.166  2.8719  117.076 3.5505 113.081 1.9400 3.994553       4.045929 
1 1 1 21 9  16 o 138.310 2.0985 187.553  3.5786  143.054 3.6725 133.565 2.0315 9.489304       4.196928 
1 1 1 21 9  18 o 154.681 1.8145 237.627  3.6914  157.408 3.0442 151.955 1.9756 5.452896       3.629077 
1 1 1 21 9  20 o 150.269 1.9674 227.890  4.0006  146.721 3.2266 153.816 2.2520 -7.095200      3.934741 
1 1 1 21 9  22 o 183.159 1.8679 332.963  4.6137  187.810 3.0432 178.508 2.1669 9.302322       3.735862 
1 1 1 21 9  24 o 101.553 2.0666 102.813  2.6915  102.599 3.5450 100.506 2.1253 2.093338       4.133281 
1 1 1 21 9  26 f 74.142  2.8554 56.669   2.3701  71.533  5.2460 76.751  2.2566 -5.218918      5.710756 
1 1 1 21 9  28 o 49.931  4.1260 24.050   2.4035  53.293  7.3665 46.570  3.7191 6.722992       8.252076 
1 1 1 21 9  30 o 58.187  3.8429 34.756   2.4808  57.196  7.0657 59.178  3.0243 -1.982208      7.685711 
1 1 1 21 9  32 o 24.026  6.5758 3.6567   2.6101  30.929  11.177 17.122  6.9319 13.80691       13.15166 
1 1 1 21 9  34 o 25.317  5.8208 6.6365   2.3482  24.581  9.2147 26.053  7.1144 -1.472303      11.64152 
1 1 1 21 9  36 o 35.381  4.7062 13.140   2.1748  39.159  7.3476 31.603  5.8827 7.556374       9.412435 
1 1 1 21 9  38 o 51.341  3.2551 27.369   2.2779  51.675  5.2510 51.008  3.8482 0.6665955      6.510110 
1 1 1 21 9  40 o 15.612  4.9253 -0.4676  2.1347  15.979  7.4670 15.244  6.4249 0.7343235      9.850626 
1 1 1 21 9  42 o 25.783  5.8784 8.1749   2.1680  28.916  9.6717 22.650  6.6842 6.265808       11.75673 
1 1 1 21 10 1  o 79.374  1.8202 63.357   2.0190  71.011  2.7642 87.737  2.3689 -16.72646      3.640394 
1 1 1 21 10 3  f 161.724 1.6652 262.245  3.7442  160.020 2.5976 163.427 2.0842 -3.406616      3.330417 
1 1 1 21 10 5  o 176.615 1.6924 311.517  3.9996  177.448 2.7980 175.783 1.9049 1.665054       3.384872 
1 1 1 21 10 7  o 96.785  1.8781 92.104   2.2193  99.478  3.3080 94.092  1.7794 5.386116       3.756201 
1 1 1 21 10 9  o 171.299 1.7975 291.567  4.0467  174.033 3.0188 168.565 1.9522 5.467819       3.594999 
1 1 1 21 10 11 o 173.485 1.7287 299.979  4.0405  175.424 2.8303 171.546 1.9856 3.877380       3.457312 
1 1 1 21 10 13 o 216.596 2.3510 470.488  7.1848  211.632 3.4645 221.560 3.1790 -9.927933      4.701993 
1 1 1 21 10 15 o 182.635 1.7212 336.269  4.3390  177.118 2.7380 188.152 2.0865 -11.03421      3.442417 
1 1 1 21 10 17 f 100.485 2.0286 102.946  2.6509  96.439  3.4721 104.532 2.0987 -8.093300      4.057119 
1 1 1 21 10 19 o 50.711  3.1378 25.020   2.1317  54.767  5.0599 46.655  3.7123 8.111359       6.275642 
1 1 1 21 10 21 o 61.635  2.7757 40.375   2.1144  54.940  4.9388 68.329  2.5347 -13.38877      5.551314 
1 1 1 21 10 23 o 62.018  2.9846 38.142   2.2323  63.223  5.2963 60.813  2.7531 2.409435       5.969110 
1 1 1 21 10 25 o 103.933 2.1163 108.086  2.8591  104.315 3.5974 103.550 2.2301 0.7654037      4.232550 
1 1 1 21 10 27 o 99.751  2.0801 100.293  2.7292  98.693  3.5098 100.809 2.2335 -2.115807      4.160210 
1 1 1 21 10 29 o 67.194  3.3196 45.517   2.5895  67.352  6.0002 67.036  2.8420 0.3161392      6.639238 
1 1 1 21 10 31 o 96.033  2.5688 93.937   2.9626  94.276  4.5928 97.791  2.3024 -3.515511      5.137629 
1 1 1 21 10 33 o 133.356 1.8016 178.411  3.3218  134.560 2.8317 132.152 2.2280 2.407944       3.603125 
1 1 1 21 10 35 f 16.944  5.1674 0.1068   2.1924  17.379  7.8054 16.509  6.7738 0.8700142      10.33485 
1 1 1 21 10 37 o 34.026  4.4335 13.203   1.9579  28.540  7.7078 39.512  4.3834 -10.97243      8.867017 
1 1 1 21 10 39 o 32.900  5.2154 13.287   2.2119  28.734  9.3258 37.066  4.6727 -8.331923      10.43089 
1 1 1 21 10 41 o 14.511  4.6948 -1.0012  1.9293  15.518  7.4048 13.503  5.7736 2.015397       9.389621 
1 1 1 21 11 0  o 375.227 3.9552 1409.48  29.674  375.227 3.9552 ?       ?      0.000000       0.000000 
1 1 1 21 11 2  o 178.535 1.7964 318.663  4.5171  180.033 2.6616 177.038 2.4131 2.994476       3.592702 
1 1 1 21 11 4  o 135.045 1.6532 182.725  3.1334  136.396 2.1587 133.693 2.5046 2.703003       3.306486 
1 1 1 21 11 6  o 89.406  1.9519 79.596   2.3134  90.487  3.2539 88.324  2.1570 2.162903       3.903895 
1 1 1 21 11 8  o 212.606 1.8990 451.746  5.3620  213.367 3.1658 211.845 2.0984 1.522110       3.798076 
1 1 1 21 11 10 o 276.940 2.1136 766.917  8.0187  278.020 3.3848 275.860 2.5323 2.160309       4.227211 
1 1 1 21 11 12 o 67.551  3.1137 45.648   2.9662  71.346  4.3696 63.757  4.4370 7.588905       6.227409 
1 1 1 21 11 14 o 127.856 1.8350 162.281  2.9209  129.648 3.2062 126.063 1.7861 3.585632       3.670070 
1 1 1 21 11 16 o 128.135 1.8184 164.897  3.0416  127.182 3.0867 129.087 1.9231 -1.904312      3.636811 
1 1 1 21 11 18 o 92.384  2.2440 89.802   2.5648  84.007  3.9859 100.761 2.0627 -16.75433      4.488012 
1 1 1 21 11 20 o 98.706  2.1800 100.815  2.6755  92.952  3.8508 104.459 2.0449 -11.50780      4.360099 
1 1 1 21 11 22 o 128.764 1.8865 169.046  3.2089  123.182 3.1870 134.347 2.0197 -11.16441      3.773077 
1 1 1 21 11 24 o 14.394  4.5584 -1.8729  1.9204  14.207  6.5964 14.581  6.2932 -0.3743992     9.116869 
1 1 1 21 11 26 o 167.798 1.8342 283.119  4.3107  164.671 2.8047 170.925 2.3644 -6.253784      3.668338 
1 1 1 21 11 28 o 17.781  5.3979 0.2900   2.1925  19.752  8.5975 15.811  6.5295 3.940800       10.79589 
1 1 1 21 11 30 o 36.519  5.1667 12.586   2.2382  44.014  8.5693 29.023  5.7746 14.99098       10.33335 
1 1 1 21 11 32 o 57.822  3.5014 32.460   2.4355  61.829  6.1627 53.814  3.3257 8.014706       7.002772 
1 1 1 21 11 34 o 17.591  5.2222 0.9192   2.1383  18.170  7.8850 17.011  6.8493 1.158480       10.44444 
1 1 1 21 11 36 o 51.479  3.7028 27.981   2.2323  50.000  6.6969 52.957  3.1615 -2.956181      7.405640 
1 1 1 21 11 38 o 28.002  5.2900 8.5351   1.9614  33.505  8.4411 22.499  6.3785 11.00682       10.58006 
1 1 1 21 11 40 o 17.292  4.9058 1.5862   1.8922  16.203  7.6499 18.382  6.1437 -2.178844      9.811534 
1 1 1 21 11 42 o 21.072  6.2775 4.9072   3.3395  23.489  9.2394 18.655  8.5008 4.833458       12.55506 
1 1 1 21 12 1  o 249.632 1.9462 623.565  6.8658  248.250 2.6977 251.014 2.8060 -2.763885      3.892404 
1 1 1 21 12 3  o 192.422 1.7030 372.723  4.5590  186.530 2.6618 198.314 2.1251 -11.78336      3.406051 
1 1 1 21 12 5  o 145.800 1.7191 213.388  3.4980  143.336 2.6583 148.264 2.1806 -4.928391      3.438257 
1 1 1 21 12 7  o 177.318 1.7934 311.158  4.1582  181.614 3.0199 173.023 1.9353 8.591263       3.586796 
1 1 1 21 12 9  f 109.878 1.8307 120.900  2.6256  109.727 3.1043 110.030 1.9414 -0.3029404     3.661342 
1 1 1 21 12 11 o 101.486 2.1330 103.168  3.0598  99.638  3.0709 103.335 2.9611 -3.697639      4.265975 
1 1 1 21 12 13 f 63.902  2.9157 41.944   2.2061  61.508  5.2562 66.295  2.5254 -4.786900      5.831442 
1 1 1 21 12 15 o 111.761 1.8581 124.784  2.5980  112.141 3.2433 111.381 1.8142 0.7600632      3.716241 
1 1 1 21 12 17 o 152.083 1.9662 235.673  3.8980  146.119 3.3584 158.046 2.0456 -11.92712      3.932333 
1 1 1 21 12 19 o 153.125 1.7775 237.615  3.7442  145.732 2.8523 160.519 2.1220 -14.78726      3.555078 
1 1 1 21 12 21 o 152.648 1.7714 235.274  3.7636  145.954 2.7689 159.342 2.2101 -13.38751      3.542776 
1 1 1 21 12 23 o 112.265 1.8830 127.483  2.6452  110.306 3.2973 114.223 1.8196 -3.916763      3.766034 
1 1 1 21 12 25 f 101.318 2.1597 105.372  2.7813  96.737  3.7598 105.899 2.1261 -9.162048      4.319324 
1 1 1 21 12 27 o 93.045  2.0257 88.916   2.4090  88.712  3.5142 97.378  2.0158 -8.666306      4.051315 
1 1 1 21 12 29 o 25.964  6.1729 6.2400   2.2700  29.389  10.374 22.540  6.6925 6.848358       12.34571 
1 1 1 21 12 31 o 57.105  3.5505 31.805   2.2801  60.027  6.4439 54.184  2.9834 5.843597       7.100973 
1 1 1 21 12 33 o 53.210  3.0477 29.276   2.0708  51.364  5.2827 55.056  3.0410 -3.692455      6.095474 
1 1 1 21 12 35 o 72.028  2.6001 51.607   2.2963  74.662  4.5622 69.395  2.4958 5.267258       5.200243 
1 1 1 21 12 37 o 49.259  3.4060 24.718   1.9185  50.528  6.1700 47.991  2.8872 2.536789       6.812061 
1 1 1 21 12 39 o 41.234  6.5853 22.141   3.6958  42.300  8.0690 40.169  10.409 2.131168       13.17052 
1 1 1 21 12 41 o 30.717  7.0371 15.096   3.9158  36.728  9.3934 24.706  10.481 12.02210       14.07416 
1 1 1 21 13 0  o 151.044 2.3328 228.389  7.0433  151.044 2.3328 ?       ?      0.000000       0.000000 
1 1 1 21 13 2  o 210.108 1.7971 441.724  5.3388  212.441 2.5545 207.776 2.5285 4.665405       3.594290 
1 1 1 21 13 4  o 188.436 1.6801 355.209  4.4651  189.211 2.4715 187.661 2.2765 1.550293       3.360192 
1 1 1 21 13 6  o 25.153  5.3444 6.3630   2.0799  23.310  8.3591 26.996  6.6616 -3.685905      10.68888 
1 1 1 21 13 8  o 53.194  2.9537 27.912   2.0708  55.118  4.9229 51.271  3.2655 3.847408       5.907490 
1 1 1 21 13 10 o 269.509 2.4236 727.594  9.2357  270.445 3.4582 268.572 3.3964 1.873016       4.847137 
1 1 1 21 13 12 o 286.890 2.2438 825.178  8.6565  285.970 3.6944 287.811 2.5475 -1.840729      4.487622 
1 1 1 21 13 14 o 142.162 1.6720 202.084  3.2290  142.586 2.7128 141.737 1.9551 0.8497467      3.343916 
1 1 1 21 13 16 o 65.457  2.8130 43.775   2.2414  63.422  5.0066 67.492  2.5662 -4.070496      5.625941 
1 1 1 21 13 18 o 86.900  2.3167 78.153   2.4436  82.292  4.1392 91.508  2.0820 -9.216171      4.633304 
1 1 1 21 13 20 o 56.799  3.2342 34.902   2.2095  49.467  5.8354 64.132  2.7907 -14.66473      6.468398 
1 1 1 21 13 22 o 30.792  5.8017 9.7375   2.3370  28.758  10.422 32.826  5.1004 -4.067621      11.60331 
1 1 1 21 13 24 o 48.769  3.5540 24.695   2.1650  46.118  6.2592 51.420  3.3683 -5.302593      7.107977 
1 1 1 21 13 26 o 56.323  2.7876 31.750   2.0260  57.035  4.7574 55.611  2.9068 1.424088       5.575175 
1 1 1 21 13 28 o 46.514  3.7283 21.133   2.1925  49.857  6.3687 43.171  3.8782 6.686527       7.456594 
1 1 1 21 13 30 o 24.453  5.5060 5.6896   2.2695  21.205  8.9756 27.701  6.3799 -6.495966      11.01202 
1 1 1 21 13 32 f 77.074  3.1623 56.815   2.6061  82.462  5.8109 71.686  2.4966 10.77618       6.324508 
1 1 1 21 13 34 o 28.167  5.4122 8.3224   2.0244  31.796  8.7903 24.538  6.3164 7.257765       10.82437 
1 1 1 21 13 36 o 53.019  3.4627 28.851   2.4261  55.260  5.7461 50.777  3.8657 4.482826       6.925378 
1 1 1 21 13 38 o 16.519  5.3853 -2.1735  2.9342  16.834  7.6338 16.204  7.5981 0.6292839      10.77061 
1 1 1 21 13 40 o 22.000  6.5176 3.7221   3.6640  17.533  8.2068 26.467  10.127 -8.933630      13.03525 
1 1 1 21 14 1  o 388.088 2.5512 1508.57  13.995  387.475 3.5461 388.701 3.6686 -1.225342      5.102304 
1 1 1 21 14 3  o 246.074 1.9242 605.797  6.6925  242.549 2.6897 249.598 2.7525 -7.049255      3.848433 
1 1 1 21 14 5  o 187.008 1.7573 350.033  4.6473  187.086 2.4687 186.929 2.5016 0.1564484      3.514642 
1 1 1 21 14 7  o 184.129 1.8302 339.516  4.7613  182.511 2.6571 185.747 2.5176 -3.236328      3.660376 
1 1 1 21 14 9  o 133.731 1.8493 178.742  3.3860  133.039 2.2131 134.424 2.9634 -1.384674      3.698623 
1 1 1 21 14 11 o 53.622  2.3979 28.740   1.8144  56.094  3.3964 51.151  3.3860 4.943436       4.795891 
1 1 1 21 14 13 o 68.839  2.4718 48.019   2.1650  67.337  4.2868 70.342  2.4622 -3.005241      4.943616 
1 1 1 21 14 15 o 123.601 1.9896 151.911  3.2144  125.496 3.3582 121.706 2.1346 3.789642       3.979237 
1 1 1 21 14 17 o 132.836 1.7119 176.615  3.0903  133.044 2.7772 132.629 2.0023 0.4149170      3.423757 
1 1 1 21 14 19 o 17.668  5.1534 0.0042   2.1424  16.754  7.8000 18.582  6.7372 -1.827997      10.30681 
1 1 1 21 14 21 o 60.685  3.0808 38.989   2.2584  55.286  5.5345 66.084  2.7082 -10.79772      6.161571 
1 1 1 21 14 23 o 114.269 2.0708 132.380  2.9854  111.955 3.6097 116.583 2.0303 -4.628159      4.141551 
1 1 1 21 14 25 o 37.797  5.2262 13.782   2.3154  41.995  9.1882 33.599  4.9829 8.396091       10.45240 
1 1 1 21 14 27 o 60.698  3.2062 37.937   2.3811  58.825  5.6922 62.571  2.9525 -3.745987      6.412385 
1 1 1 21 14 29 o 92.580  2.3724 87.931   2.6408  89.737  4.2461 95.422  2.1176 -5.685242      4.744849 
1 1 1 21 14 31 o 33.665  5.3147 13.175   2.1388  28.624  9.8370 38.706  4.0272 -10.08169      10.62950 
1 1 1 21 14 33 o 29.449  5.4761 9.3740   2.1154  30.394  9.2450 28.504  5.8720 1.889908       10.95221 
1 1 1 21 14 35 o 17.005  5.2390 0.4792   2.1015  19.660  8.4553 14.349  6.1884 5.310565       10.47799 
1 1 1 21 14 37 o 18.656  5.8886 -0.3960  3.2867  20.604  8.7728 16.708  7.8575 3.896166       11.77718 
1 1 1 21 14 39 o 18.865  6.1476 -0.5983  3.7788  18.117  8.3214 19.613  9.0512 -1.495270      12.29518 
1 1 1 21 15 0  o 301.966 3.2128 912.863  19.398  301.966 3.2128 ?       ?      0.000000       0.000000 
1 1 1 21 15 2  o 269.875 2.0268 728.914  7.7323  265.946 2.8438 273.803 2.8887 -7.857239      4.053594 
1 1 1 21 15 4  o 50.185  2.6198 25.344   1.8474  53.464  3.4555 46.907  3.9385 6.557182       5.239501 
1 1 1 21 15 6  f 175.299 1.5953 307.463  3.9528  174.298 2.2192 176.301 2.2923 -2.003159      3.190519 
1 1 1 21 15 8  o 97.504  1.8034 95.285   2.4811  95.637  2.6561 99.372  2.4401 -3.734726      3.606785 
1 1 1 21 15 10 o 226.805 1.8717 514.530  5.9953  230.320 2.7071 223.290 2.5855 7.030029       3.743475 
1 1 1 21 15 12 o 224.197 1.8958 500.108  5.7441  228.225 3.0861 220.170 2.2026 8.055145       3.791548 
1 1 1 21 15 14 o 194.237 1.8759 377.769  4.9328  194.321 3.0601 194.152 2.1707 0.1687927      3.751821 
1 1 1 21 15 16 o 106.791 2.0484 115.227  2.6896  105.270 3.6196 108.312 1.9189 -3.042770      4.096763 
1 1 1 21 15 18 f 73.001  3.0278 59.138   2.5058  62.006  5.5865 83.995  2.3369 -21.98951      6.055552 
1 1 1 21 15 20 o 130.387 2.0578 173.531  3.4575  125.363 3.5460 135.410 2.0891 -10.04714      4.115647 
1 1 1 21 15 22 o 107.029 2.2642 116.751  3.1196  103.593 3.9011 110.464 2.2996 -6.870529      4.528417 
1 1 1 21 15 24 f 75.139  3.2181 59.024   2.7316  71.374  5.9048 78.904  2.5609 -7.530884      6.436193 
1 1 1 21 15 26 o 53.769  3.5998 28.854   2.4906  55.576  6.1289 51.962  3.7776 3.614170       7.199534 
1 1 1 21 15 28 o 43.446  3.9083 18.648   2.1643  45.920  6.6634 40.972  4.0863 4.947536       7.816508 
1 1 1 21 15 30 o 15.526  5.1261 -3.3340  2.3815  17.432  8.2306 13.621  6.1127 3.810917       10.25220 
1 1 1 21 15 32 o 19.055  6.0755 -0.3849  2.3948  25.392  10.685 12.718  5.7857 12.67424       12.15091 
1 1 1 21 15 34 o 19.013  6.1059 -3.4364  3.7384  21.132  9.1239 16.895  8.1168 4.236805       12.21175 
1 1 1 21 15 36 o 19.917  6.2138 0.8548   3.3805  16.558  7.6609 23.275  9.7855 -6.716209      12.42758 
1 1 1 21 15 38 o 17.766  5.8797 -2.4650  3.6967  17.864  8.2246 17.669  8.4046 0.1945667      11.75931 
1 1 1 21 15 40 o 22.102  6.7097 5.2942   3.9962  24.375  9.6851 19.828  9.2886 4.546793       13.41934 
1 1 1 21 16 1  o 127.506 1.6361 162.921  2.9443  122.887 2.3960 132.124 2.2285 -9.236771      3.272123 
1 1 1 21 16 3  o 85.384  1.9356 72.713   2.3292  80.724  2.7177 90.043  2.7570 -9.318817      3.871286 
1 1 1 21 16 5  o 85.120  1.7744 72.474   2.1345  87.186  2.5163 83.054  2.5024 4.132690       3.548761 
1 1 1 21 16 7  o 215.671 1.8000 465.474  5.4694  214.827 2.4186 216.515 2.6664 -1.687851      3.599957 
1 1 1 21 16 9  o 213.859 1.8139 457.990  5.4846  216.680 2.5312 211.038 2.5989 5.642029       3.627802 
1 1 1 21 16 11 o 96.885  1.7351 94.132   2.3544  97.907  2.2407 95.864  2.6498 2.042557       3.470220 
1 1 1 21 16 13 o 108.806 2.0748 118.887  2.8920  108.300 3.5716 109.311 2.1126 -1.011253      4.149633 
1 1 1 21 16 15 o 89.320  2.3521 79.060   2.7369  91.551  3.9728 87.089  2.5191 4.461487       4.704132 
1 1 1 21 16 17 o 44.614  3.6486 20.313   2.2146  42.632  5.9585 46.597  4.2125 -3.965275      7.297203 
1 1 1 21 16 19 o 228.950 2.2727 527.729  6.7231  227.051 3.8903 230.849 2.3508 -3.797409      4.545439 
1 1 1 21 16 21 o 250.123 2.2997 628.481  7.7249  249.736 3.7912 250.510 2.6042 -0.7746124     4.599493 
1 1 1 21 16 23 o 139.311 2.0279 194.666  3.6914  139.555 3.4336 139.068 2.1587 0.4870300      4.055831 
1 1 1 21 16 25 o 100.049 1.9437 100.179  2.7055  101.925 3.0020 98.172  2.4699 3.753212       3.887478 
1 1 1 21 16 27 o 77.652  2.7896 59.926   2.6172  79.414  4.9434 75.890  2.5865 3.523743       5.579210 
1 1 1 21 16 29 o 82.890  3.0677 68.377   2.8886  84.992  5.5700 80.789  2.5726 4.203400       6.135396 
1 1 1 21 16 31 o 15.041  5.1457 -4.3922  2.3367  18.694  8.7780 11.387  5.3721 7.306949       10.29141 
1 1 1 21 16 33 f 23.895  5.3893 6.1255   2.1193  21.428  8.6692 26.362  6.4050 -4.934338      10.77861 
1 1 1 21 16 35 o 23.606  6.2454 6.1981   2.8820  25.655  8.8674 21.557  8.7970 4.097906       12.49072 
1 1 1 21 16 37 o 29.782  6.7446 12.351   3.6624  36.424  9.1881 23.140  9.8762 13.28332       13.48928 
1 1 1 21 16 39 o 21.271  6.6085 5.0461   3.6437  18.277  8.1655 24.265  10.393 -5.987659      13.21699 
1 1 1 21 17 0  o 59.345  3.2304 35.563   3.8103  59.345  3.2304 ?       ?      0.000000       0.000000 
1 1 1 21 17 2  o 25.867  5.1805 6.9128   1.9913  24.141  7.4173 27.593  7.2344 -3.452835      10.36106 
1 1 1 21 17 4  o 146.312 1.7998 214.211  3.7217  142.429 2.5536 150.194 2.5369 -7.765244      3.599607 
1 1 1 21 17 6  o 121.089 1.7530 146.745  3.0010  122.540 2.4970 119.637 2.4611 2.903030       3.505961 
1 1 1 21 17 8  o 29.270  4.9592 9.0355   2.0491  32.610  6.4252 25.930  7.5560 6.679998       9.918479 
1 1 1 21 17 10 o 82.874  1.9709 68.736   2.3035  81.907  2.6785 83.842  2.8921 -1.935356      3.941841 
1 1 1 21 17 12 o 95.416  1.7978 91.936   2.3788  99.180  2.2120 91.651  2.8346 7.528961       3.595523 
1 1 1 21 17 14 o 220.235 2.1542 486.738  6.3364  219.653 3.5745 220.817 2.4053 -1.163193      4.308473 
1 1 1 21 17 16 o 170.260 1.8026 289.059  4.0967  172.216 2.9836 168.303 2.0239 3.913864       3.605221 
1 1 1 21 17 18 o 101.381 1.9871 103.523  2.5524  100.434 3.4490 102.327 1.9747 -1.892883      3.974251 
1 1 1 21 17 20 o 33.616  4.9358 13.492   2.4869  20.826  8.8593 46.405  4.3543 -25.57899      9.871531 
1 1 1 21 17 22 o 114.850 1.9443 132.339  2.9460  114.956 3.2644 114.744 2.1132 0.2114487      3.888676 
1 1 1 21 17 24 o 53.319  3.5421 27.807   2.3600  56.676  6.1118 49.962  3.5822 6.714687       7.084195 
1 1 1 21 17 26 o 93.407  2.6022 88.531   2.8608  92.380  4.6871 94.435  2.2620 -2.054428      5.204339 
1 1 1 21 17 28 o 75.574  3.3310 57.407   2.9212  76.853  6.0096 74.295  2.8751 2.558044       6.661967 
1 1 1 21 17 30 o 38.018  5.8075 15.188   2.4647  39.359  10.612 36.676  4.7223 2.683167       11.61496 
1 1 1 21 17 32 f 18.678  5.9765 -2.8907  2.8990  25.477  10.462 11.878  5.7816 13.59938       11.95298 
1 1 1 21 17 34 o 16.480  5.4539 -4.9877  3.2237  13.679  6.6913 19.280  8.6144 -5.601085      10.90783 
1 1 1 21 17 36 o 18.808  5.9662 0.0385   3.3677  19.448  8.3250 18.168  8.5484 1.279339       11.93237 
1 1 1 21 17 38 o 30.638  6.8854 15.015   3.5040  34.205  8.8721 27.071  10.532 7.133387       13.77090 
1 1 1 21 18 1  o 147.253 1.7454 216.316  3.6225  141.050 2.4149 153.456 2.5206 -12.40622      3.490739 
1 1 1 21 18 3  o 102.828 1.8095 105.824  2.6240  96.881  2.6220 108.775 2.4945 -11.89381      3.619063 
1 1 1 21 18 5  o 103.158 1.8659 106.837  2.7122  99.797  2.7768 106.519 2.4932 -6.722427      3.731812 
1 1 1 21 18 7  f 106.427 1.8265 113.651  2.7396  108.657 2.4441 104.198 2.7149 4.459091       3.653006 
1 1 1 21 18 9  o 66.952  2.8699 45.236   2.6470  68.278  3.4667 65.626  4.5746 2.652466       5.739766 
1 1 1 21 18 11 o 148.333 1.6786 220.210  3.5179  150.505 2.4166 146.161 2.3305 4.343735       3.357244 
1 1 1 21 18 13 o 174.021 1.6774 303.272  4.1260  174.745 2.4118 173.297 2.3320 1.447937       3.354825 
1 1 1 21 18 15 o 184.959 1.9871 342.527  5.0959  185.707 3.1088 184.211 2.4759 1.495804       3.974234 
1 1 1 21 18 17 o 74.620  2.9456 55.332   2.6299  75.905  5.2480 73.336  2.6766 2.569153       5.891184 
1 1 1 21 18 19 o 113.967 2.1096 131.812  3.1449  111.091 3.5858 116.843 2.2235 -5.751732      4.219224 
1 1 1 21 18 21 o 93.435  2.6695 89.300   3.0937  90.809  4.7046 96.060  2.5242 -5.250496      5.338978 
1 1 1 21 18 23 o 20.236  5.9866 1.3414   2.5776  21.862  9.5720 18.611  7.1926 3.251299       11.97318 
1 1 1 21 18 25 o 46.968  4.5756 23.948   2.5365  42.793  8.2543 51.143  3.9510 -8.349815      9.151179 
1 1 1 21 18 27 o 77.311  3.2409 60.503   3.0021  77.924  5.7789 76.698  2.9356 1.225533       6.481781 
1 1 1 21 18 29 o 67.091  3.3273 46.076   2.6812  67.144  5.9328 67.039  3.0141 0.1052246      6.654565 
1 1 1 21 18 31 o 34.850  5.8415 14.691   2.2923  29.884  11.008 39.815  3.9150 -9.931400      11.68301 
1 1 1 21 18 33 o 26.837  6.3906 8.6296   2.9729  30.259  9.0420 23.416  9.0332 6.842413       12.78110 
1 1 1 21 18 35 o 31.647  7.0153 14.156   3.7244  36.146  8.8448 27.147  10.892 8.998611       14.03068 
1 1 1 21 18 37 o 20.183  6.3211 2.7712   3.4470  16.363  7.5768 24.002  10.120 -7.638607      12.64220 
1 1 1 21 19 0  o 32.126  7.4458 11.893   4.1567  32.126  7.4458 ?       ?      0.000000       0.000000 
1 1 1 21 19 2  o 85.235  2.1278 72.190   2.5428  80.039  2.8852 90.430  3.1282 -10.39110      4.255624 
1 1 1 21 19 4  o 27.223  4.7545 6.9732   2.2771  17.233  7.4609 37.212  5.8955 -19.97892      9.508990 
1 1 1 21 19 6  o 83.533  1.8714 70.054   2.1695  84.344  2.3273 82.722  2.9312 1.621857       3.742733 
1 1 1 21 19 8  f 121.764 1.7430 148.203  2.9921  124.596 2.5484 118.931 2.3786 5.665215       3.486008 
1 1 1 21 19 10 o 142.013 1.8999 201.784  3.7885  140.470 2.5071 143.556 2.8553 -3.085648      3.799774 
1 1 1 21 19 12 o 104.237 1.9390 108.848  2.8551  103.689 2.6726 104.784 2.8099 -1.094498      3.877917 
1 1 1 21 19 14 o 86.789  1.9788 75.547   2.4193  87.198  2.6483 86.379  2.9408 0.8189926      3.957503 
1 1 1 21 19 16 o 103.467 2.2665 107.364  3.0588  103.651 3.8432 103.282 2.4036 0.3692398      4.532926 
1 1 1 21 19 18 o 66.717  2.8887 42.521   2.3465  72.199  5.0376 61.234  2.8284 10.96488       5.777363 
1 1 1 21 19 20 o 104.903 2.8233 113.182  3.3717  101.878 5.1568 107.929 2.3001 -6.051292      5.646525 
1 1 1 21 19 22 o 151.485 2.0615 231.669  4.0194  150.055 3.5396 152.914 2.1143 -2.859146      4.122982 
1 1 1 21 19 24 o 75.615  2.7868 58.254   2.7469  74.213  4.7454 77.018  2.9234 -2.804924      5.573608 
1 1 1 21 19 26 o 105.896 2.6480 115.232  3.4320  103.245 4.6971 108.548 2.4466 -5.303024      5.296063 
1 1 1 21 19 28 o 105.785 2.4627 114.376  3.2482  104.252 4.3195 107.317 2.3670 -3.065575      4.925494 
1 1 1 21 19 30 o 23.087  5.6742 5.3034   2.2695  21.694  9.0682 24.481  6.8231 -2.787169      11.34844 
1 1 1 21 19 32 o 28.868  7.2482 9.9058   3.8129  34.867  11.072 22.868  9.3576 11.99875       14.49641 
1 1 1 21 19 34 o 26.416  6.8279 9.2063   3.3395  26.998  9.4764 25.834  9.8325 1.164486       13.65583 
1 1 1 21 19 36 o 25.281  7.3098 9.3610   4.2745  26.892  10.175 23.670  10.498 3.222149       14.61970 
1 1 1 21 20 1  o 220.866 1.9416 488.907  6.0569  221.115 2.6632 220.617 2.8262 0.4978790      3.883295 
1 1 1 21 20 3  f 73.226  2.4498 54.148   2.4951  75.651  3.0526 70.802  3.8324 4.849564       4.899548 
1 1 1 21 20 5  o 43.245  4.0184 18.893   2.4506  43.727  5.4132 42.764  5.9402 0.9630013      8.036700 
1 1 1 21 20 7  o 40.986  3.4944 16.891   2.0058  40.658  4.5439 41.314  5.3102 -0.6560631     6.988885 
1 1 1 21 20 9  o 52.181  2.9461 27.411   2.1553  51.501  4.4840 52.862  3.8225 -1.361092      5.892143 
1 1 1 21 20 11 o 136.581 1.8245 186.829  3.5132  135.792 2.4659 137.370 2.6897 -1.578476      3.648988 
1 1 1 21 20 13 o 57.746  3.0759 33.584   2.5110  58.941  4.3097 56.552  4.3898 2.389881       6.151750 
1 1 1 21 20 15 o 79.908  2.1449 63.758   2.4028  77.050  2.8473 82.767  3.2086 -5.717720      4.289791 
1 1 1 21 20 17 o 26.511  5.8812 7.1181   2.3772  28.668  9.0327 24.353  7.5343 4.314449       11.76241 
1 1 1 21 20 19 o 25.575  5.7738 6.6035   2.2873  25.435  9.1853 25.715  6.9985 -0.2795849     11.54768 
1 1 1 21 20 21 o 42.451  5.7663 21.241   2.7194  35.105  10.795 49.797  4.0577 -14.69217      11.53262 
1 1 1 21 20 23 o 43.273  5.4268 20.503   2.6812  40.297  9.9353 46.248  4.3691 -5.951733      10.85357 
1 1 1 21 20 25 o 101.074 2.4603 102.399  3.1234  102.638 4.2749 99.511  2.4367 3.126968       4.920583 
1 1 1 21 20 27 o 21.237  6.4681 1.3935   2.7751  26.921  11.027 15.552  6.7645 11.36889       12.93616 
1 1 1 21 20 29 o 38.056  5.1670 15.132   2.4727  44.180  8.2772 31.933  6.1870 12.24746       10.33394 
1 1 1 21 20 31 o 26.631  6.4599 8.2835   2.6812  28.209  10.526 25.053  7.4914 3.156424       12.91972 
1 1 1 21 20 33 o 21.925  6.3592 1.1789   3.5198  14.301  6.9394 29.549  10.658 -15.24803      12.71844 
1 1 1 21 20 35 o 24.765  7.0912 8.7142   3.8715  25.153  9.7032 24.377  10.344 0.7760944      14.18236 
1 1 1 21 21 0  o 56.314  3.8291 32.215   4.2722  56.314  3.8291 ?       ?      0.000000       0.000000 
1 1 1 21 21 2  o 30.790  5.2026 9.9782   2.2771  35.789  6.8585 25.791  7.8248 9.997114       10.40517 
1 1 1 21 21 4  o 189.549 1.7343 359.935  4.6473  193.080 2.4220 186.018 2.4829 7.062225       3.468508 
1 1 1 21 21 6  o 151.681 1.8299 230.369  3.9224  154.070 2.6230 149.292 2.5523 4.778198       3.659806 
1 1 1 21 21 8  o 75.587  2.3247 57.329   2.4811  72.347  3.3515 78.827  3.2225 -6.479591      4.649462 
1 1 1 21 21 10 o 95.529  2.0112 91.621   2.7134  98.399  2.7576 92.658  2.9284 5.741272       4.022402 
1 1 1 21 21 12 o 72.159  2.7365 52.064   2.6083  71.139  3.0027 73.180  4.5757 -2.041214      5.472929 
1 1 1 21 21 14 o 187.911 1.9359 354.764  5.1375  183.817 2.8267 192.005 2.6460 -8.188080      3.871861 
1 1 1 21 21 16 f 158.313 1.8442 251.525  4.1260  153.768 2.6282 162.858 2.5878 -9.090530      3.688357 
1 1 1 21 21 18 o 24.117  4.8899 5.8770   1.9713  29.671  6.2301 18.562  7.5385 11.10847       9.779701 
1 1 1 21 21 20 o 75.385  2.7819 55.128   2.6042  80.318  4.8159 70.451  2.7862 9.866631       5.563820 
1 1 1 21 21 22 f 54.346  4.1206 29.905   2.6942  55.165  7.3258 53.527  3.7750 1.638115       8.241185 
1 1 1 21 21 24 o 28.271  5.0322 7.8437   2.6299  18.461  8.6443 38.081  5.1546 -19.61956      10.06443 
1 1 1 21 21 26 o 54.337  4.7190 31.346   2.8113  53.015  8.7118 55.658  3.6304 -2.643364      9.438021 
1 1 1 21 21 28 o 46.314  5.1712 24.413   2.6299  42.714  9.5656 49.914  3.9325 -7.200554      10.34243 
1 1 1 21 21 30 o 26.955  6.0956 8.3153   2.7257  23.164  10.481 30.747  6.2260 -7.582586      12.19112 
1 1 1 21 21 32 o 19.964  6.2802 1.0046   3.6476  21.200  9.0583 18.728  8.7013 2.472479       12.56046 
1 1 1 21 21 34 o 18.769  6.0885 -1.1280  3.7304  15.020  7.2966 22.518  9.7488 -7.498190      12.17701 
1 1 1 21 22 1  o 146.515 1.8390 215.123  3.8095  148.834 2.5989 144.195 2.6024 4.639160       3.677910 
1 1 1 21 22 3  o 164.279 1.8984 271.600  4.3808  169.848 2.4813 158.710 2.8737 11.13846       3.796723 
1 1 1 21 22 5  o 126.352 1.8464 160.376  3.2897  130.173 2.4836 122.531 2.7328 7.641960       3.692743 
1 1 1 21 22 7  o 52.123  3.1787 27.180   2.2950  50.464  4.0041 53.781  4.9379 -3.317135      6.357371 
1 1 1 21 22 9  o 54.407  3.3542 29.995   2.5688  57.013  4.4555 51.801  5.0152 5.211582       6.708498 
1 1 1 21 22 11 o 15.857  5.0151 -2.2109  2.3349  13.983  6.5324 17.731  7.6114 -3.748328      10.03025 
1 1 1 21 22 13 o 125.887 2.1775 159.501  3.8603  127.338 2.9016 124.435 3.2477 2.903404       4.355098 
1 1 1 21 22 15 o 118.062 2.0942 140.203  3.4868  118.383 2.8285 117.741 3.0891 0.6417770      4.188436 
1 1 1 21 22 17 o 76.184  2.3303 58.250   2.5031  72.235  3.2768 80.132  3.3141 -7.896347      4.660592 
1 1 1 21 22 19 o 107.641 2.0281 116.220  3.0755  104.439 2.7639 110.843 2.9688 -6.403931      4.056265 
1 1 1 21 22 21 o 73.459  3.4644 57.029   3.0121  69.168  6.2600 77.750  2.9701 -8.582062      6.928853 
1 1 1 21 22 23 o 49.732  4.6146 26.191   2.9636  48.019  7.9350 51.445  4.7133 -3.425430      9.229273 
1 1 1 21 22 25 o 30.212  6.7177 10.059   3.0321  28.636  11.416 31.787  7.0849 -3.150366      13.43539 
1 1 1 21 22 27 o 21.384  5.8961 3.5615   2.5831  20.547  9.0343 22.220  7.5788 -1.673061      11.79225 
1 1 1 21 22 29 o 25.203  5.9815 7.2971   2.7069  21.839  9.6310 28.567  7.0962 -6.728203      11.96297 
1 1 1 21 22 31 o 37.178  6.4521 19.214   2.8911  30.540  12.102 43.815  4.4799 -13.27552      12.90422 
1 1 1 21 22 33 o 25.853  6.3804 8.7391   3.4023  18.780  8.5423 32.927  9.4797 -14.14745      12.76071 
1 1 1 21 23 0  f 182.482 2.5954 333.693  9.4681  182.482 2.5954 ?       ?      0.000000       0.000000 
1 1 1 21 23 2  o 210.893 1.8594 446.295  5.5399  212.494 2.5539 209.292 2.7033 3.202591       3.718876 
1 1 1 21 23 4  o 103.224 2.1384 107.093  3.1175  106.272 2.9335 100.176 3.1121 6.096245       4.276745 
1 1 1 21 23 6  o 26.860  5.6799 7.3897   2.3544  23.234  7.8969 30.486  8.1661 -7.252016      11.35988 
1 1 1 21 23 8  f 50.999  3.3189 26.130   2.3788  47.426  4.6258 54.571  4.7607 -7.144844      6.637886 
1 1 1 21 23 10 o 24.455  5.6486 5.8185   2.2508  21.021  7.5412 27.889  8.4117 -6.867956      11.29720 
1 1 1 21 23 12 o 95.780  2.0875 91.915   2.8183  100.629 2.9833 90.930  2.9206 9.699219       4.174909 
1 1 1 21 23 14 f 106.541 2.1958 114.524  3.2745  108.403 2.8226 104.680 3.3642 3.723274       4.391503 
1 1 1 21 23 16 o 79.041  2.6635 62.762   2.9393  77.112  3.4440 80.971  4.0641 -3.859970      5.327055 
1 1 1 21 23 18 o 50.663  3.4180 25.730   2.3962  47.332  4.3910 53.994  5.2393 -6.662159      6.836008 
1 1 1 21 23 20 o 16.591  5.2377 -1.6218  2.5031  15.252  6.9553 17.929  7.8331 -2.677016      10.47533 
1 1 1 21 23 22 f 55.967  3.9168 33.544   2.7643  52.097  6.8707 59.837  3.7629 -7.739773      7.833603 
1 1 1 21 23 24 o 68.828  3.8056 48.355   3.1166  70.595  6.7877 67.061  3.4436 3.534882       7.611221 
1 1 1 21 23 26 o 27.950  6.2899 8.8134   2.6140  31.225  9.9921 24.676  7.6426 6.548328       12.57973 
1 1 1 21 23 28 o 19.485  6.0631 1.4956   2.7194  24.338  10.184 14.632  6.5829 9.706640       12.12625 
1 1 1 21 23 30 o 29.815  6.1227 11.262   2.4759  30.953  10.328 28.677  6.5786 2.276459       12.24534 
1 1 1 21 23 32 o 19.437  6.3359 0.7724   4.1519  20.606  9.1615 18.269  8.7545 2.337589       12.67182 
1 1 1 21 24 1  o 62.953  2.9208 40.028   2.5967  62.252  4.2660 63.654  3.9907 -1.401928      5.841625 
1 1 1 21 24 3  f 111.142 2.0388 123.979  3.1976  112.573 2.9745 109.711 2.7890 2.862045       4.077509 
1 1 1 21 24 5  o 43.258  3.9303 19.084   2.3955  40.798  5.8017 45.718  5.3038 -4.919296      7.860666 
1 1 1 21 24 7  o 20.263  5.7822 2.0394   2.5662  18.827  7.8735 21.699  8.4701 -2.871490      11.56434 
1 1 1 21 24 9  o 61.851  3.0002 38.512   2.6113  58.920  4.1153 64.782  4.3668 -5.861340      6.000403 
1 1 1 21 24 11 o 103.884 2.0731 108.194  2.9845  102.621 2.5879 105.147 3.2395 -2.526398      4.146209 
1 1 1 21 24 13 o 93.675  2.2496 88.414   2.9662  94.629  2.9895 92.720  3.3623 1.908081       4.499104 
1 1 1 21 24 15 o 80.591  2.6835 64.577   2.9716  75.802  3.3511 85.380  4.1923 -9.578072      5.367055 
1 1 1 21 24 17 o 63.643  3.2386 41.238   2.9015  61.967  4.3788 65.318  4.7729 -3.350922      6.477207 
1 1 1 21 24 19 o 62.859  3.1775 39.972   2.7994  57.764  4.3976 67.954  4.5877 -10.19016      6.355026 
1 1 1 21 24 21 o 45.166  3.9445 21.114   2.4951  40.330  5.7260 50.001  5.4267 -9.671734      7.889002 
1 1 1 21 24 23 o 79.615  3.1663 64.320   3.1522  81.821  5.5036 77.409  3.1324 4.412193       6.332623 
1 1 1 21 24 25 o 29.732  5.6163 10.417   2.7035  23.021  9.4833 36.443  6.0198 -13.42276      11.23258 
1 1 1 21 24 27 o 20.603  6.4256 1.9707   2.7946  26.867  11.105 14.339  6.4678 12.52730       12.85121 
1 1 1 21 24 29 o 29.046  5.4112 11.033   2.7039  20.899  9.2681 37.193  5.5880 -16.29408      10.82238 
1 1 1 21 24 31 f 28.784  7.1265 12.433   3.1287  33.810  11.726 23.758  8.1021 10.05247       14.25291 
1 1 1 21 25 0  o 62.277  4.4013 39.604   5.4268  62.277  4.4013 ?       ?      0.000000       0.000000 
1 1 1 21 25 2  f 60.295  2.9468 36.785   2.5110  61.021  4.0682 59.569  4.2643 1.452057       5.893625 
1 1 1 21 25 4  o 59.528  3.3041 36.312   2.7396  54.944  5.1487 64.112  4.1422 -9.168861      6.608127 
1 1 1 21 25 6  f 57.555  3.1216 33.541   2.5389  57.522  4.3157 57.589  4.5112 -0.6745148E-01 6.243117 
1 1 1 21 25 8  o 41.778  4.4996 18.470   2.5110  48.473  5.2405 35.083  7.3160 13.39065       8.999251 
1 1 1 21 25 10 o 55.750  3.4120 31.549   2.6693  55.455  4.4766 56.046  5.1504 -0.5912476     6.824011 
1 1 1 21 25 12 o 95.120  2.2977 91.694   3.0326  97.529  2.8414 92.710  3.6118 4.818817       4.595450 
1 1 1 21 25 14 o 58.276  3.3514 34.857   2.7420  61.905  4.3832 54.647  5.0710 7.257915       6.702806 
1 1 1 21 25 16 o 19.494  5.6227 1.2802   2.5302  20.734  7.6273 18.254  8.2634 2.479362       11.24544 
1 1 1 21 25 18 o 39.000  4.4784 16.731   2.3035  44.998  4.8753 33.001  7.5136 11.99765       8.956780 
1 1 1 21 25 20 o 63.815  2.9746 41.848   2.6842  64.384  4.2144 63.246  4.1990 1.138039       5.949196 
1 1 1 21 25 22 o 53.284  3.6414 30.463   2.6356  58.275  4.1609 48.294  5.9772 9.981487       7.282869 
1 1 1 21 25 24 o 27.551  5.8803 9.1659   2.6546  23.170  9.7655 31.932  6.5533 -8.761505      11.76058 
1 1 1 21 25 26 o 17.472  5.8513 -2.5831  3.1688  20.743  9.6282 14.201  6.6519 6.542178       11.70253 
1 1 1 21 25 28 o 24.986  5.9629 7.5333   2.8856  20.481  9.3238 29.491  7.4357 -9.010363      11.92575 
1 1 1 21 25 30 o 15.372  5.2708 -3.0487  2.7436  18.844  8.8466 11.900  5.7328 6.944189       10.54165 
1 1 1 21 26 1  o 189.142 2.0645 360.063  5.5060  191.165 2.7784 187.120 3.0545 4.045395       4.129091 
1 1 1 21 26 3  o 185.276 1.9303 344.961  5.0382  185.477 2.8636 185.075 2.5891 0.4024506      3.860546 
1 1 1 21 26 5  o 128.848 1.9162 166.522  3.4811  125.550 2.6211 132.146 2.7960 -6.596321      3.832466 
1 1 1 21 26 7  o 76.501  2.8550 59.012   3.0755  71.471  4.0389 81.532  4.0361 -10.06108      5.709911 
1 1 1 21 26 9  o 26.483  5.9112 6.9856   2.6557  31.658  8.2907 21.308  8.4280 10.34988       11.82232 
1 1 1 21 26 11 o 59.041  3.4078 35.838   2.8242  61.200  4.4337 56.881  5.1763 4.319511       6.815558 
1 1 1 21 26 13 o 21.370  5.8716 3.0448   2.6444  23.487  8.3654 19.253  8.2416 4.233109       11.74326 
1 1 1 21 26 15 o 46.992  4.0089 23.239   2.6189  49.926  4.9724 44.059  6.2896 5.866734       8.017720 
1 1 1 21 26 17 o 78.466  2.7771 63.578   3.0087  82.580  3.3557 74.351  4.4260 8.229431       5.554258 
1 1 1 21 26 19 o 70.410  2.7336 50.999   2.7085  71.802  3.6182 69.018  4.0988 2.783684       5.467301 
1 1 1 21 26 21 o 82.179  2.7104 69.652   3.1461  83.958  3.7132 80.399  3.9494 3.558594       5.420845 
1 1 1 21 26 23 o 32.371  6.7786 14.347   3.6193  26.606  11.167 38.136  7.6877 -11.52912      13.55721 
1 1 1 21 26 25 o 18.705  6.1311 -0.8387  3.2570  23.220  10.281 14.190  6.6833 9.029985       12.26220 
1 1 1 21 26 27 o 25.095  5.6742 6.7202   3.0273  18.241  8.7578 31.949  7.2171 -13.70791      11.34838 
1 1 1 21 26 29 o 22.920  6.3880 5.6730   2.6666  30.111  10.815 15.730  6.8018 14.38123       12.77594 
1 1 1 21 27 0  o 238.649 3.0008 572.012  14.318  238.649 3.0008 ?       ?      0.000000       0.000000 
1 1 1 21 27 2  o 205.203 2.0092 423.491  5.8167  201.703 2.7478 208.704 2.9322 -7.001205      4.018453 
1 1 1 21 27 4  o 157.510 1.8265 249.189  4.0601  153.235 2.5243 161.785 2.6407 -8.550171      3.653091 
1 1 1 21 27 6  o 83.077  2.7414 70.316   3.1914  81.361  4.1865 84.793  3.5405 -3.432007      5.482869 
1 1 1 21 27 8  o 21.307  6.0391 2.0945   2.8762  17.507  7.7633 25.107  9.2528 -7.600670      12.07820 
1 1 1 21 27 10 o 43.237  5.2867 20.434   3.0819  38.572  8.6032 47.902  6.1466 -9.330498      10.57335 
1 1 1 21 27 12 o 59.808  3.4711 37.848   2.8242  51.963  5.6662 67.652  4.0108 -15.68900      6.942121 
1 1 1 21 27 14 o 27.832  5.8267 8.3184   2.6842  21.359  8.4344 34.305  8.0412 -12.94604      11.65333 
1 1 1 21 27 16 o 97.854  2.4005 97.710   3.3173  98.437  3.2844 97.272  3.5017 1.164543       4.800951 
1 1 1 21 27 18 o 106.064 2.6869 117.085  3.9191  111.814 3.2012 100.314 4.3164 11.50064       5.373896 
1 1 1 21 27 20 f 24.726  5.8731 7.2139   2.4930  26.829  7.7455 22.623  8.8307 4.205647       11.74619 
1 1 1 21 27 22 o 23.962  5.9665 6.4126   2.6768  18.937  7.9444 28.987  8.9040 -10.04921      11.93292 
1 1 1 21 27 24 o 23.442  6.8895 5.4381   3.7035  29.020  11.147 17.863  8.0989 11.15688       13.77893 
1 1 1 21 27 26 o 18.475  5.9038 1.6274   3.0751  19.507  9.1156 17.442  7.5048 2.065172       11.80751 
1 1 1 21 28 1  o 188.223 2.0173 357.421  5.3691  186.336 2.8814 190.109 2.8242 -3.772690      4.034689 
1 1 1 21 28 3  o 144.145 1.9825 209.626  4.0413  143.805 2.8102 144.486 2.7970 -0.6808624     3.964931 
1 1 1 21 28 5  o 73.363  2.8939 54.961   3.0021  72.655  4.1320 74.072  4.0529 -1.416489      5.787863 
1 1 1 21 28 7  o 59.540  3.4679 36.608   2.9083  59.733  4.6393 59.348  5.1557 0.3849831      6.935741 
1 1 1 21 28 9  o 44.084  4.8385 20.985   2.9152  47.622  6.0615 40.546  7.5435 7.076122       9.677048 
1 1 1 21 28 11 o 40.515  5.1334 18.417   2.7973  31.219  8.4750 49.812  5.7951 -18.59264      10.26689 
1 1 1 21 28 13 o 45.166  4.1911 21.339   2.6321  41.727  5.5343 48.604  6.2954 -6.876965      8.382116 
1 1 1 21 28 15 o 22.596  6.0984 4.6710   2.7926  24.636  8.6646 20.556  8.5841 4.080639       12.19685 
1 1 1 21 28 17 o 48.444  4.4184 25.823   2.8527  49.995  4.8499 46.893  7.3869 3.102478       8.836753 
1 1 1 21 28 19 o 34.130  6.0856 14.798   2.9262  34.969  7.9391 33.291  9.2255 1.677593       12.17125 
1 1 1 21 28 21 o 25.026  6.5367 8.0836   3.0280  24.602  8.6634 25.450  9.7908 -0.8482761     13.07339 
1 1 1 21 28 23 o 31.701  5.8718 12.840   2.8450  22.537  8.4063 40.866  8.2002 -18.32897      11.74352 
1 1 1 21 28 25 o 24.159  6.8883 8.3069   3.9160  21.587  9.9350 26.731  9.5440 -5.143448      13.77652 
1 1 1 21 29 0  o 52.525  5.3773 28.982   5.5423  52.525  5.3773 ?       ?      0.000000       0.000000 
1 1 1 21 29 2  o 70.211  3.1108 50.605   3.0863  72.295  4.3921 68.127  4.4066 4.168076       6.221660 
1 1 1 21 29 4  o 66.158  2.9010 44.789   2.7085  69.360  4.0786 62.956  4.1266 6.403286       5.802033 
1 1 1 21 29 6  o 42.703  5.5497 21.036   3.1711  51.174  5.9793 34.232  9.3511 16.94166       11.09931 
1 1 1 21 29 8  o 62.048  3.5539 40.424   3.0755  64.504  4.4751 59.593  5.5221 4.911697       7.107708 
1 1 1 21 29 10 f 89.455  2.6715 82.232   3.3771  90.896  3.6839 88.015  3.8700 2.881081       5.343042 
1 1 1 21 29 12 o 71.252  2.8707 52.536   2.8866  73.926  3.9047 68.578  4.2092 5.347694       5.741492 
1 1 1 21 29 14 o 19.837  5.9864 1.6120   2.8922  16.172  7.2852 23.501  9.5012 -7.328373      11.97275 
1 1 1 21 29 16 o 27.947  6.4008 9.8607   2.7712  25.386  8.0881 30.507  9.9230 -5.121664      12.80165 
1 1 1 21 29 18 o 20.553  5.7367 3.3327   2.7177  23.921  8.3807 17.186  7.8358 6.735085       11.47333 
1 1 1 21 29 20 o 16.432  5.3061 -0.9055  2.7347  15.581  7.1773 17.283  7.8169 -1.702143      10.61216 
1 1 1 21 29 22 o 16.197  5.2929 -0.7258  2.7712  14.921  6.8962 17.473  8.0313 -2.552709      10.58584 
1 1 1 21 30 1  o 94.119  2.4940 90.685   3.3194  94.866  3.5297 93.371  3.5244 1.494545       4.987964 
1 1 1 21 30 3  o 62.275  3.3092 40.353   2.9083  60.506  4.5800 64.044  4.7777 -3.538097      6.618304 
1 1 1 21 30 5  o 14.431  4.8837 -6.4354  2.8100  15.690  7.3987 13.173  6.3768 2.517472       9.767491 
1 1 1 21 30 7  o 31.551  6.1484 11.651   3.2867  40.770  8.0754 22.333  9.2735 18.43724       12.29680 
1 1 1 21 30 9  o 28.866  6.1873 10.140   2.8341  32.019  8.1028 25.713  9.3529 6.306240       12.37465 
1 1 1 21 30 11 o 71.573  3.0853 53.694   3.0652  69.313  3.9148 73.834  4.7697 -4.521027      6.170549 
1 1 1 21 30 13 o 78.123  2.7759 64.025   3.0598  75.056  4.0767 81.190  3.7687 -6.133614      5.551799 
1 1 1 21 30 15 o 26.879  6.4913 9.4905   2.9505  26.550  8.7824 27.209  9.5611 -0.6589394     12.98251 
1 1 1 21 30 17 o 20.348  5.9557 2.1226   3.0819  15.180  7.1983 25.516  9.4904 -10.33635      11.91146 
1 1 1 21 30 19 o 22.118  6.2037 5.8154   2.9976  24.523  8.9920 19.714  8.5490 4.808382       12.40733 
1 1 1 21 30 21 o 18.297  5.7654 1.6550   3.0241  17.775  7.9363 18.819  8.3651 -1.043388      11.53082 
1 1 1 21 31 0  o 109.495 3.3285 122.046  7.2743  109.495 3.3285 ?       ?      0.000000       0.000000 
1 1 1 21 31 2  o 122.768 2.2114 154.763  3.8338  121.461 3.0420 124.075 3.2106 -2.614212      4.422862 
1 1 1 21 31 4  o 75.865  3.0671 60.757   3.2897  74.608  4.3333 77.123  4.3418 -2.514534      6.134203 
1 1 1 21 31 6  o 18.989  5.7290 1.3125   2.8277  16.018  7.3916 21.960  8.7549 -5.941650      11.45793 
1 1 1 21 31 8  o 28.685  6.3755 10.620   3.1250  33.773  8.5379 23.597  9.4705 10.17564       12.75092 
1 1 1 21 31 10 o 41.471  5.3308 20.827   2.9595  35.836  8.8917 47.107  5.8827 -11.27120      10.66155 
1 1 1 21 31 12 f 49.829  4.2274 27.905   2.9595  45.457  6.0962 54.202  5.8583 -8.744728      8.454747 
1 1 1 21 31 14 o 48.041  4.4683 26.441   3.0175  44.016  6.4269 52.065  6.2095 -8.048962      8.936649 
1 1 1 21 31 16 o 47.375  5.1793 28.096   3.1602  53.328  5.3047 41.422  8.8972 11.90566       10.35857 
1 1 1 21 31 18 o 24.514  6.6038 8.8044   3.2772  26.436  9.1400 22.593  9.5343 3.843048       13.20765 
1 1 1 21 32 1  o 32.808  6.3284 14.116   3.0884  36.944  8.4602 28.671  9.4138 8.273163       12.65679 
1 1 1 21 32 3  o 25.581  6.8477 8.3859   3.4023  24.277  9.4384 26.886  9.9239 -2.608847      13.69547 
1 1 1 21 32 5  o 32.305  5.5858 13.456   2.8762  41.575  6.5265 23.034  9.0668 18.54140       11.17152 
1 1 1 21 32 7  f 95.809  2.8355 97.118   3.8216  94.511  3.7873 97.108  4.2211 -2.597450      5.671071 
1 1 1 21 32 9  o 85.949  3.2331 79.710   3.9182  85.884  4.7727 86.014  4.3628 -0.1298218     6.466268 
1 1 1 21 32 11 o 33.370  6.7401 15.974   3.6640  41.030  8.9708 25.710  10.062 15.31969       13.48019 
1 1 1 21 32 13 o 20.947  6.0552 4.8540   2.9707  17.537  7.8803 24.357  9.1959 -6.819895      12.11045 
1 1 1 21 32 15 o 21.388  6.2683 5.4749   3.0309  20.408  8.2376 22.367  9.4504 -1.959124      12.53666 
1 1 1 21 33 0  o 23.018  11.715 9.9300   6.6969  23.018  11.715 ?       ?      0.000000       0.000000 
1 1 1 21 33 2  o 25.187  6.6660 8.3811   3.3325  27.842  9.4138 22.533  9.4406 5.309355       13.33203 
1 1 1 21 33 4  o 25.089  6.6166 8.5444   3.1753  23.610  9.2523 26.568  9.4612 -2.958693      13.23325 
1 1 1 21 33 6  o 22.224  6.1411 4.4717   3.2867  27.959  9.5005 16.488  7.7841 11.47145       12.28219 
1 1 1 21 33 8  o 18.252  5.7141 1.4658   3.0307  20.787  8.7197 15.717  7.3873 5.069377       11.42822 
1 1 1 21 33 10 o 24.397  6.6698 8.7841   3.3710  26.226  9.2927 22.568  9.5703 3.658463       13.33963 
1 1 1 21 34 1  o 35.547  6.4421 17.932   3.2412  34.988  9.7222 36.107  8.4546 -1.119434      12.88415 
1 1 1 21 34 3  o 33.312  6.4884 15.638   3.1825  27.370  8.9674 39.254  9.3801 -11.88354      12.97687 
1 1 1 22 1  1  o 245.846 2.2254 603.253  7.5217  243.579 2.7020 248.112 3.5368 -4.532669      4.450834 
1 1 1 22 1  3  o 281.370 2.2233 799.500  8.6316  292.274 2.6864 270.467 3.5433 21.80719       4.446562 
1 1 1 22 1  5  o 285.582 2.4812 820.557  9.1492  288.702 2.5596 282.463 4.2513 6.239319       4.962385 
1 1 1 22 1  7  o 250.681 2.0400 629.203  6.9335  251.168 2.3675 250.194 3.3228 0.9737091      4.079961 
1 1 1 22 1  9  o 295.318 2.2310 872.938  9.0780  295.458 2.7161 295.179 3.5401 0.2783813      4.461954 
1 1 1 22 1  11 o 239.179 2.3312 572.790  7.8753  240.356 3.1946 238.003 3.3960 2.353485       4.662414 
1 1 1 22 1  13 o 209.434 1.8371 440.941  5.3632  214.547 2.3142 204.322 2.8538 10.22513       3.674185 
1 1 1 22 1  15 o 109.077 2.1086 123.404  2.9030  116.645 2.0293 101.510 3.6968 15.13469       4.217108 
1 1 1 22 1  17 o 78.900  2.1221 61.351   2.2980  74.564  2.6325 83.236  3.3293 -8.672195      4.244291 
1 1 1 22 1  19 o 86.981  1.9419 75.627   2.3163  86.531  2.3352 87.432  3.1035 -0.9010925     3.883876 
1 1 1 22 1  21 o 98.558  2.0006 97.984   2.6909  100.979 2.3441 96.138  3.2428 4.841560       4.001296 
1 1 1 22 1  23 o 58.174  2.9164 34.307   2.3544  61.069  3.5924 55.279  4.5953 5.789963       5.832795 
1 1 1 22 1  25 o 79.072  2.2270 62.264   2.4342  76.877  2.7786 81.268  3.4809 -4.390549      4.453936 
1 1 1 22 1  27 o 82.100  2.5210 67.736   2.8127  82.430  2.9416 81.770  4.0950 0.6602020      5.042013 
1 1 1 22 1  29 f 77.326  2.7035 60.365   2.9432  80.397  3.5904 74.256  4.0429 6.141647       5.407057 
1 1 1 22 1  31 o 46.394  3.9312 21.838   2.5298  47.158  6.1211 45.630  4.9344 1.527946       7.862315 
1 1 1 22 1  33 o 90.402  2.2978 81.704   2.8329  88.460  2.7411 92.344  3.6886 -3.883179      4.595578 
1 1 1 22 1  35 o 53.856  3.8236 30.223   2.4867  55.277  3.4466 52.434  6.8265 2.843113       7.647215 
1 1 1 22 1  37 o 25.517  5.7184 6.7782   2.4590  28.945  6.8745 22.089  9.1402 6.855625       11.43686 
1 1 1 22 1  39 o 21.279  5.3056 3.4210   2.3737  25.814  7.2863 16.744  7.7140 9.069883       10.61112 
1 1 1 22 1  41 f 17.042  5.2456 0.8364   2.3318  16.465  7.0566 17.619  7.7633 -1.153627      10.49122 
1 1 1 22 1  43 o 17.863  5.6079 1.5510   2.6926  16.153  7.1288 19.573  8.6588 -3.420233      11.21578 
1 1 1 22 2  0  o 113.425 2.4457 128.859  5.5423  113.425 2.4457 ?       ?      0.000000       0.000000 
1 1 1 22 2  2  o 181.095 1.8523 329.664  4.6753  185.740 2.3312 176.449 2.8793 9.290543       3.704663 
1 1 1 22 2  4  o 249.345 2.4257 624.292  8.0590  251.456 2.6862 247.234 4.0398 4.222519       4.851348 
1 1 1 22 2  6  o 419.826 2.9326 1770.16  16.894  424.429 3.5094 415.223 4.6995 9.206604       5.865277 
1 1 1 22 2  8  o 231.975 2.0100 539.117  6.5734  235.253 2.6995 228.697 2.9788 6.556122       4.019991 
1 1 1 22 2  10 o 186.349 1.6915 347.417  4.3333  186.331 2.0449 186.368 2.6951 -0.3694153E-01 3.383055 
1 1 1 22 2  12 o 87.851  2.1195 79.169   2.4930  94.203  2.3288 81.499  3.5419 12.70383       4.238908 
1 1 1 22 2  14 o 20.445  5.0740 1.6323   2.0183  12.417  5.7358 28.473  8.3716 -16.05615      10.14809 
1 1 1 22 2  16 o 237.694 2.0540 563.401  6.5756  235.190 2.3565 240.198 3.3649 -5.007462      4.108046 
1 1 1 22 2  18 o 64.570  2.5060 39.421   2.1347  55.797  3.0006 73.343  4.0145 -17.54549      5.011959 
1 1 1 22 2  20 o 66.241  2.5647 44.813   2.3093  70.657  2.9415 61.824  4.2022 8.833221       5.129388 
1 1 1 22 2  22 o 77.030  2.5965 58.804   2.7712  73.274  3.3092 80.785  4.0020 -7.511391      5.192907 
1 1 1 22 2  24 o 49.806  3.2009 24.940   2.2456  49.792  4.7538 49.820  4.2877 -0.2754593E-01 6.401778 
1 1 1 22 2  26 o 65.809  2.5461 43.392   2.3544  66.625  3.8127 64.993  3.3755 1.632072       5.092189 
1 1 1 22 2  28 o 56.813  3.0228 32.795   2.3788  54.342  4.7808 59.285  3.7005 -4.943161      6.045595 
1 1 1 22 2  30 o 102.958 2.0368 107.040  2.9432  97.118  3.0912 108.799 2.6532 -11.68080      4.073658 
1 1 1 22 2  32 o 55.373  3.5764 31.179   2.7997  55.695  4.9755 55.051  5.1387 0.6446419      7.152755 
1 1 1 22 2  34 o 23.541  6.0954 4.8847   2.5302  21.662  7.6604 25.420  9.4832 -3.757507      12.19074 
1 1 1 22 2  36 o 76.244  2.7355 57.948   2.7369  72.871  3.0106 79.617  4.5683 -6.745438      5.471089 
1 1 1 22 2  38 o 34.592  5.3743 14.389   2.4869  41.440  4.8761 27.744  9.5789 13.69543       10.74860 
1 1 1 22 2  40 o 14.931  4.8379 -4.0769  2.5365  16.341  6.9793 13.521  6.7016 2.820603       9.675807 
1 1 1 22 2  42 o 15.350  4.9856 -1.6515  2.4520  15.385  6.7762 15.315  7.3148 0.7035160E-01  9.971123 
1 1 1 22 3  1  o 254.766 2.1263 650.149  7.6494  247.435 3.1032 262.097 2.9076 -14.66287      4.252508 
1 1 1 22 3  3  o 263.212 2.1800 694.263  7.9542  264.866 2.7028 261.558 3.4212 3.307678       4.360042 
1 1 1 22 3  5  o 247.229 1.8997 611.608  6.6347  246.840 2.7598 247.618 2.6113 -0.7776642     3.799417 
1 1 1 22 3  7  o 232.756 1.9945 541.202  6.5067  230.301 2.6071 235.212 3.0190 -4.910995      3.988908 
1 1 1 22 3  9  o 267.395 2.0193 714.071  7.3867  265.631 2.4125 269.160 3.2388 -3.528229      4.038557 
1 1 1 22 3  11 o 104.598 1.8762 110.897  2.5725  107.702 1.9833 101.493 3.1854 6.208847       3.752410 
1 1 1 22 3  13 o 182.048 1.8826 330.795  4.6554  180.552 2.2063 183.543 3.0511 -2.991425      3.765210 
1 1 1 22 3  15 o 95.668  1.9083 93.451   2.4845  102.587 2.1948 88.750  3.1224 13.83643       3.816621 
1 1 1 22 3  17 o 114.298 1.9042 132.108  2.9121  117.425 2.1141 111.171 3.1678 6.254105       3.808455 
1 1 1 22 3  19 o 68.679  2.1881 47.462   2.1068  62.880  3.3053 74.477  2.8681 -11.59780      4.376194 
1 1 1 22 3  21 o 58.849  2.7046 36.469   2.0973  49.029  4.5923 68.669  2.8585 -19.63972      5.409295 
1 1 1 22 3  23 o 108.158 1.8690 117.217  2.8575  107.196 2.6928 109.121 2.5924 -1.925423      3.737925 
1 1 1 22 3  25 o 149.319 1.6954 223.366  3.5794  147.521 2.4264 151.117 2.3686 -3.595718      3.390819 
1 1 1 22 3  27 o 17.508  5.2828 -1.0034  2.4234  20.560  8.1434 14.455  6.7317 6.104607       10.56555 
1 1 1 22 3  29 o 31.751  5.5677 10.950   2.5428  27.181  8.9673 36.321  6.6018 -9.140068      11.13538 
1 1 1 22 3  31 o 42.435  4.1434 18.311   2.4704  46.112  5.7592 38.757  5.9584 7.355179       8.286756 
1 1 1 22 3  33 o 23.873  5.1065 5.4831   2.1035  28.553  6.0483 19.192  8.2294 9.361118       10.21299 
1 1 1 22 3  35 f 73.602  2.7027 54.835   2.6737  73.143  3.0783 74.060  4.4433 -0.9175797     5.405472 
1 1 1 22 3  37 o 68.408  2.5759 47.512   2.4489  67.458  3.2521 69.357  3.9955 -1.898460      5.151725 
1 1 1 22 3  39 o 32.038  5.4655 11.777   2.3772  31.205  6.6701 32.871  8.6599 -1.665890      10.93094 
1 1 1 22 3  41 o 14.745  4.8818 -3.1385  2.5192  13.513  6.3924 15.978  7.3800 -2.464414      9.763522 
1 1 1 22 3  43 o 21.280  6.6244 4.7756   3.1591  19.347  7.5051 23.212  10.918 -3.865610      13.24878 
1 1 1 22 4  0  o 172.800 2.3397 298.822  8.0825  172.800 2.3397 ?       ?      0.000000       0.000000 
1 1 1 22 4  2  f 42.157  3.1408 17.980   1.8456  45.309  3.9500 39.006  4.8843 6.303177       6.281631 
1 1 1 22 4  4  o 15.928  4.6637 0.5696   1.7243  16.323  6.5353 15.533  6.6550 0.7897329      9.327375 
1 1 1 22 4  6  o 170.748 1.7854 291.273  4.2683  169.251 2.3195 172.245 2.7149 -2.993973      3.570846 
1 1 1 22 4  8  o 160.193 1.6182 256.720  3.6658  159.563 2.2794 160.823 2.2975 -1.260239      3.236390 
1 1 1 22 4  10 o 121.557 1.6953 148.192  2.8450  122.728 2.0698 120.385 2.6855 2.342453       3.390608 
1 1 1 22 4  12 o 276.352 2.2527 764.644  8.4585  276.446 2.6314 276.259 3.6571 0.1868286      4.505399 
1 1 1 22 4  14 o 136.328 1.8043 185.863  3.4293  135.789 2.2959 136.867 2.7840 -1.078110      3.608538 
1 1 1 22 4  16 o 249.982 1.9436 625.638  6.8697  251.185 2.7121 248.779 2.7848 2.406326       3.887207 
1 1 1 22 4  18 o 207.239 1.7726 429.480  5.1901  203.136 2.4726 211.341 2.5405 -8.205215      3.545103 
1 1 1 22 4  20 o 106.678 1.8065 114.289  2.7085  103.724 2.7273 109.633 2.3697 -5.909325      3.612989 
1 1 1 22 4  22 o 92.192  1.7488 84.903   2.2713  94.345  2.5701 90.040  2.3724 4.305260       3.497657 
1 1 1 22 4  24 o 84.754  2.1754 72.219   2.5967  81.785  3.2471 87.722  2.8958 -5.936119      4.350796 
1 1 1 22 4  26 o 75.399  2.4393 57.050   2.5928  75.234  3.6066 75.563  3.2853 -0.3285904     4.878635 
1 1 1 22 4  28 o 82.828  2.4173 69.370   2.7759  80.317  3.8097 85.338  2.9767 -5.020554      4.834664 
1 1 1 22 4  30 o 43.383  3.9890 19.281   2.4234  40.637  6.1089 46.129  5.1313 -5.492092      7.978008 
1 1 1 22 4  32 o 100.062 2.2879 100.669  3.2165  100.937 3.4318 99.186  3.0267 1.751205       4.575812 
1 1 1 22 4  34 o 49.909  3.7757 25.657   2.5884  51.207  4.5097 48.611  6.0570 2.596134       7.551480 
1 1 1 22 4  36 o 68.838  3.1700 49.493   2.8720  72.175  3.3595 65.500  5.3766 6.675278       6.339908 
1 1 1 22 4  38 o 50.526  3.6978 26.672   2.5732  49.689  4.5313 51.363  5.8449 -1.673557      7.395633 
1 1 1 22 4  40 o 18.459  5.6745 0.9468   2.8127  19.137  7.8738 17.782  8.1733 1.355581       11.34897 
1 1 1 22 4  42 o 21.043  5.8749 4.4936   2.6926  22.624  7.9760 19.461  8.6278 3.162491       11.74971 
1 1 1 22 5  1  o 265.229 1.9468 703.373  7.2975  259.868 2.7326 270.590 2.7736 -10.72260      3.893586 
1 1 1 22 5  3  o 142.395 1.7754 201.445  3.5459  135.550 2.3851 149.240 2.6305 -13.69016      3.550829 
1 1 1 22 5  5  o 46.615  3.0008 21.891   1.9612  44.136  4.5781 49.094  3.8806 -4.957882      6.001552 
1 1 1 22 5  7  o 87.361  1.6659 77.368   2.0058  92.420  1.9990 82.302  2.6656 10.11772       3.331824 
1 1 1 22 5  9  o 64.576  2.2127 41.722   2.0190  65.066  3.1942 64.086  3.0629 0.9801178      4.425443 
1 1 1 22 5  11 o 134.065 1.7655 179.293  3.3325  137.934 2.5950 130.196 2.3945 7.738495       3.530964 
1 1 1 22 5  13 o 315.991 2.6476 987.326  10.594  323.452 4.5693 308.530 2.6758 14.92142       5.295142 
1 1 1 22 5  15 o 132.889 1.6605 176.834  3.1175  136.255 2.2880 129.522 2.4070 6.733841       3.320918 
1 1 1 22 5  17 o 98.906  1.7350 97.886   2.4193  98.619  2.3416 99.194  2.5609 -0.5751953     3.470056 
1 1 1 22 5  19 o 92.314  1.9468 85.349   2.5389  91.811  2.8297 92.817  2.6746 -1.005859      3.893645 
1 1 1 22 5  21 o 124.271 1.6734 153.505  2.9160  118.338 2.2442 130.205 2.4830 -11.86665      3.346883 
1 1 1 22 5  23 o 61.685  2.6780 38.427   2.2862  59.978  4.2353 63.392  3.2786 -3.414116      5.355999 
1 1 1 22 5  25 o 14.399  4.6065 -2.3390  2.0190  15.469  6.8352 13.329  6.1774 2.140032       9.213075 
1 1 1 22 5  27 o 150.407 1.8336 226.807  3.8916  150.087 2.6926 150.728 2.4897 -0.6410828     3.667228 
1 1 1 22 5  29 o 131.503 1.9713 173.597  3.6658  131.310 2.7699 131.697 2.8056 -0.3871002     3.942537 
1 1 1 22 5  31 o 76.716  2.3736 59.241   2.5532  77.086  3.5949 76.347  3.1004 0.7390594      4.747140 
1 1 1 22 5  33 o 17.552  5.6184 -2.8444  2.9976  16.904  7.7012 18.199  8.1828 -1.294315      11.23685 
1 1 1 22 5  35 o 69.598  2.8274 48.707   2.6942  67.215  3.4357 71.981  4.4915 -4.766602      5.654830 
1 1 1 22 5  37 o 15.854  5.1737 -3.2595  2.6509  15.322  6.8778 16.386  7.7307 -1.064137      10.34740 
1 1 1 22 5  39 o 25.535  6.2615 7.5064   2.7111  25.657  7.9563 25.413  9.6707 0.2444096      12.52296 
1 1 1 22 5  41 o 26.482  5.8324 8.9724   2.6243  31.064  7.6585 21.900  8.7986 9.163361       11.66479 
1 1 1 22 5  43 o 15.374  5.1159 -2.0434  2.7921  14.483  6.7711 16.265  7.6708 -1.782449      10.23176 
1 1 1 22 6  0  o 119.817 2.3147 143.753  5.5423  119.817 2.3147 ?       ?      0.000000       0.000000 
1 1 1 22 6  2  o 247.951 1.9788 611.039  6.8196  240.334 2.5223 255.568 3.0496 -15.23488      3.957533 
1 1 1 22 6  4  o 262.492 1.9673 689.299  7.3003  260.592 2.7471 264.391 2.8168 -3.798279      3.934628 
1 1 1 22 6  6  o 25.083  5.0215 6.4422   1.9357  28.425  6.2618 21.741  7.8520 6.684927       10.04308 
1 1 1 22 6  8  o 73.043  2.2135 53.435   2.2713  72.683  3.3361 73.403  2.9101 -0.7196579     4.426955 
1 1 1 22 6  10 o 23.101  4.8468 5.2350   1.5930  25.311  7.7296 20.890  5.8497 4.421326       9.693586 
1 1 1 22 6  12 o 273.670 2.1630 750.107  8.1155  273.337 3.4639 274.002 2.5916 -0.6649170     4.326077 
1 1 1 22 6  14 o 204.809 1.8814 418.244  5.1680  206.847 3.0981 202.772 2.1354 4.074905       3.762702 
1 1 1 22 6  16 o 109.022 1.8870 118.953  2.7525  109.079 3.1227 108.964 2.1193 0.1150589      3.773948 
1 1 1 22 6  18 o 297.786 2.4861 884.299  10.229  303.263 3.9026 292.309 3.0811 10.95453       4.972244 
1 1 1 22 6  20 f 20.128  5.1165 3.0745   1.9302  16.766  6.8812 23.490  7.5740 -6.723680      10.23309 
1 1 1 22 6  22 o 39.285  4.2612 15.565   2.3656  40.452  5.9942 38.118  6.0583 2.333817       8.522496 
1 1 1 22 6  24 o 74.642  2.2971 55.885   2.4248  74.487  3.2553 74.796  3.2418 -0.3093872     4.594147 
1 1 1 22 6  26 o 126.037 1.8481 159.311  3.2897  124.108 2.6980 127.965 2.5265 -3.857056      3.696273 
1 1 1 22 6  28 o 117.631 1.8221 138.729  3.0285  116.757 2.5218 118.504 2.6307 -1.746887      3.644198 
1 1 1 22 6  30 o 55.535  3.4615 31.284   2.7024  55.587  5.1929 55.482  4.5784 0.1049385      6.923061 
1 1 1 22 6  32 o 86.748  2.3154 75.012   2.7535  89.647  3.6708 83.850  2.8229 5.797768       4.630714 
1 1 1 22 6  34 o 60.672  3.1682 37.656   2.6321  61.274  3.7688 60.070  5.0937 1.203896       6.336380 
1 1 1 22 6  36 o 64.958  3.1328 43.530   2.7712  66.436  3.6498 63.481  5.0929 2.954815       6.265662 
1 1 1 22 6  38 o 23.116  5.7741 5.1831   2.5659  26.804  8.0074 19.428  8.3211 7.375414       11.54814 
1 1 1 22 6  40 o 21.710  5.7034 3.1937   2.5123  13.650  6.3379 29.769  9.4840 -16.11922      11.40684 
1 1 1 22 6  42 o 25.573  5.7770 8.5556   2.3614  25.109  8.4004 26.037  7.9327 -0.9275894     11.55397 
1 1 1 22 7  1  o 501.810 3.2835 2523.07  23.289  503.924 4.5483 499.695 4.7369 4.228485       6.566974 
1 1 1 22 7  3  o 410.090 2.9109 1683.70  16.801  409.152 3.8803 411.027 4.3402 -1.874207      5.821848 
1 1 1 22 7  5  f 209.017 2.0605 437.198  6.0906  209.472 2.9215 208.562 2.9065 0.9100342      4.121017 
1 1 1 22 7  7  o 52.434  2.9251 27.606   1.9929  52.140  4.9827 52.728  3.0658 -0.5879822     5.850289 
1 1 1 22 7  9  o 186.420 1.7609 348.557  4.4176  185.221 2.8988 187.619 2.0001 -2.398010      3.521824 
1 1 1 22 7  11 o 200.023 1.9305 402.403  5.1491  197.534 3.2149 202.512 2.1381 -4.978394      3.860984 
1 1 1 22 7  13 o 359.371 2.6313 1295.79  13.134  356.624 4.1119 362.118 3.2843 -5.493774      5.262506 
1 1 1 22 7  15 o 102.009 1.9204 105.176  2.6532  98.993  3.1492 105.025 2.1988 -6.031837      3.840893 
1 1 1 22 7  17 o 80.831  2.0620 62.851   2.2262  89.055  3.3062 72.608  2.4649 16.44749       4.123917 
1 1 1 22 7  19 o 113.890 1.8317 131.036  2.8127  110.903 3.0193 116.877 2.0746 -5.973930      3.663351 
1 1 1 22 7  21 o 72.164  2.4836 55.188   2.2352  64.326  4.3977 80.001  2.3093 -15.67547      4.967162 
1 1 1 22 7  23 o 32.605  5.4936 11.303   2.5351  28.328  9.2378 36.882  5.9482 -8.554550      10.98716 
1 1 1 22 7  25 o 60.930  2.8145 37.295   2.4248  61.593  3.9367 60.266  4.0234 1.326527       5.628998 
1 1 1 22 7  27 o 19.296  5.3696 1.1978   2.3538  16.528  7.5126 22.064  7.6742 -5.536291      10.73930 
1 1 1 22 7  29 o 88.770  2.1217 79.371   2.6544  86.061  3.1529 91.479  2.8400 -5.417160      4.243355 
1 1 1 22 7  31 o 45.197  4.1155 21.214   2.5662  40.503  6.5568 49.891  4.9759 -9.387936      8.231086 
1 1 1 22 7  33 o 81.099  3.0111 66.792   3.4057  81.564  3.8222 80.634  4.6539 0.9300842      6.022252 
1 1 1 22 7  35 o 74.130  2.6304 56.417   2.5948  76.109  2.8825 72.151  4.4009 3.958511       5.260858 
1 1 1 22 7  37 o 49.526  4.0497 25.412   2.7111  46.735  4.8178 52.318  6.5106 -5.583179      8.099322 
1 1 1 22 7  39 o 59.011  3.8113 38.172   3.0107  61.686  4.2116 56.337  6.3536 5.348984       7.622694 
1 1 1 22 7  41 o 20.181  5.9123 3.6051   2.8225  21.303  8.2903 19.059  8.4316 2.243507       11.82463 
1 1 1 22 7  43 o 18.972  5.8353 2.5088   2.9662  20.061  8.3981 17.883  8.1039 2.177866       11.67057 
1 1 1 22 8  0  o 324.698 3.2901 1055.11  21.361  324.698 3.2901 ?       ?      0.000000       0.000000 
1 1 1 22 8  2  o 333.185 2.4199 1111.20  11.400  334.195 3.4550 332.176 3.3891 2.018524       4.839745 
1 1 1 22 8  4  o 160.841 1.8883 257.339  4.1778  164.271 2.9873 157.410 2.3106 6.860535       3.776611 
1 1 1 22 8  6  f 134.535 1.6934 180.781  3.0703  135.186 2.7759 133.884 1.9405 1.302780       3.386860 
1 1 1 22 8  8  o 286.149 2.1232 819.846  8.2789  285.921 3.4326 286.377 2.4998 -0.4562683     4.246366 
1 1 1 22 8  10 o 249.020 2.1069 621.815  7.0922  247.835 3.4476 250.204 2.4228 -2.368866      4.213763 
1 1 1 22 8  12 f 209.523 1.8937 438.756  5.3883  210.415 3.0730 208.630 2.2138 1.784866       3.787346 
1 1 1 22 8  14 o 148.581 2.4174 220.076  4.9485  151.264 3.8167 145.898 2.9678 5.365265       4.834733 
1 1 1 22 8  16 o 134.459 1.8074 182.494  3.2280  131.602 3.0270 137.317 1.9760 -5.715057      3.614855 
1 1 1 22 8  18 o 109.397 2.0862 123.425  3.0107  101.087 3.5409 117.708 2.2071 -16.62092      4.172473 
1 1 1 22 8  20 o 171.566 1.9223 293.995  4.4152  172.775 3.1744 170.356 2.1689 2.419525       3.844595 
1 1 1 22 8  22 o 139.110 1.9037 193.111  3.5650  140.616 3.1203 137.604 2.1817 3.012589       3.807365 
1 1 1 22 8  24 o 41.927  4.9400 19.591   2.3664  36.260  9.0855 47.594  3.8817 -11.33349      9.879996 
1 1 1 22 8  26 o 81.843  2.4473 66.652   2.5980  83.376  4.1546 80.310  2.5879 3.066849       4.894684 
1 1 1 22 8  28 f 193.996 1.9781 378.189  5.2642  193.279 3.1662 194.713 2.3720 -1.433304      3.956166 
1 1 1 22 8  30 o 14.806  5.0461 -6.1727  2.5910  17.667  8.3089 11.944  5.7286 5.722078       10.09230 
1 1 1 22 8  32 f 114.433 2.5481 132.533  4.0697  112.950 3.9357 115.915 3.2374 -2.964592      5.096105 
1 1 1 22 8  34 o 26.947  5.5621 7.8755   2.3163  29.871  6.8985 24.022  8.7268 5.849537       11.12420 
1 1 1 22 8  36 o 59.795  3.3106 37.468   2.6348  62.391  3.6088 57.198  5.5514 5.193443       6.621245 
1 1 1 22 8  38 o 35.667  5.7778 14.809   2.7735  34.034  7.1787 37.299  9.0554 -3.265430      11.55567 
1 1 1 22 8  40 o 16.760  5.4442 -1.5044  2.9036  15.552  7.1689 17.967  8.1954 -2.415588      10.88842 
1 1 1 22 8  42 o 23.063  6.2507 7.5682   2.8341  22.545  8.4831 23.580  9.1827 -1.034777      12.50136 
1 1 1 22 9  1  o 227.786 2.0808 520.552  6.6320  224.388 3.1904 231.183 2.6721 -6.795349      4.161533 
1 1 1 22 9  3  o 151.173 1.6952 230.012  3.5338  147.592 2.6990 154.753 2.0518 -7.161026      3.390377 
1 1 1 22 9  5  o 177.942 1.6810 316.902  4.0978  177.797 2.6951 178.088 2.0099 -0.2914124     3.362029 
1 1 1 22 9  7  f 267.145 2.0516 713.604  7.4289  268.016 3.3388 266.274 2.3850 1.742310       4.103126 
1 1 1 22 9  9  o 347.105 2.5870 1205.20  11.976  348.252 4.2936 345.958 2.8870 2.294434       5.173955 
1 1 1 22 9  11 o 326.580 2.4871 1068.58  10.893  326.195 4.1061 326.964 2.8075 -0.7686768     4.974129 
1 1 1 22 9  13 o 319.760 2.7704 1024.77  12.526  318.687 3.8768 320.833 3.9588 -2.145905      5.540877 
1 1 1 22 9  15 o 247.302 2.2014 611.462  7.2650  248.272 3.6508 246.332 2.4609 1.940338       4.402764 
1 1 1 22 9  17 o 227.976 2.0450 524.307  6.2196  223.599 3.4082 232.353 2.2611 -8.754837      4.090003 
1 1 1 22 9  19 o 30.255  5.0540 9.5882   2.0362  29.765  8.3763 30.744  5.6576 -0.9788647     10.10797 
1 1 1 22 9  21 o 76.774  2.1981 58.704   2.2980  78.320  3.5382 75.228  2.6093 3.092812       4.396293 
1 1 1 22 9  23 o 72.168  2.7831 55.188   2.4132  65.658  5.0119 78.678  2.4215 -13.02007      5.566252 
1 1 1 22 9  25 o 128.096 1.9821 164.753  3.2176  127.693 3.4361 128.499 1.9768 -0.8059311     3.964178 
1 1 1 22 9  27 o 50.466  3.5056 25.291   2.2740  52.200  5.9723 48.732  3.6725 3.467300       7.011150 
1 1 1 22 9  29 o 90.124  1.9769 81.320   2.3039  90.724  3.3727 89.525  2.0636 1.199509       3.953895 
1 1 1 22 9  31 o 108.261 2.0900 117.924  2.7810  108.033 3.6873 108.489 1.9689 -0.4560547     4.180075 
1 1 1 22 9  33 o 79.762  3.1275 65.488   2.9760  78.235  5.6083 81.289  2.7698 -3.053726      6.254993 
1 1 1 22 9  35 o 16.577  5.2186 -0.9468  2.3555  17.917  8.0071 15.237  6.6948 2.680252       10.43714 
1 1 1 22 9  37 o 26.039  5.8855 7.6019   2.3200  27.162  9.4036 24.916  7.0803 2.245739       11.77109 
1 1 1 22 9  39 o 24.962  5.4566 7.5151   2.2769  21.208  8.5813 28.717  6.7423 -7.508572      10.91316 
1 1 1 22 9  41 o 21.314  5.7545 4.0098   2.3513  28.326  9.5865 14.302  6.3682 14.02467       11.50892 
1 1 1 22 10 0  o 156.500 2.1774 245.131  6.8124  156.500 2.1774 ?       ?      0.000000       0.000000 
1 1 1 22 10 2  o 167.594 1.6801 280.290  3.8786  169.318 2.6596 165.870 2.0535 3.448257       3.360100 
1 1 1 22 10 4  o 93.265  2.0247 86.529   2.5942  95.324  3.2099 91.206  2.4687 4.118134       4.049406 
1 1 1 22 10 6  o 96.720  1.7515 93.550   2.3928  98.031  2.5324 95.410  2.4204 2.620651       3.503018 
1 1 1 22 10 8  o 230.519 1.9080 531.201  5.9018  231.270 3.1454 229.769 2.1609 1.500336       3.816098 
1 1 1 22 10 10 o 192.441 1.8787 365.770  4.6253  197.329 3.2183 187.553 1.9393 9.776154       3.757384 
1 1 1 22 10 12 o 402.782 3.1477 1627.10  17.915  403.470 4.5502 402.095 4.3504 1.374542       6.295318 
1 1 1 22 10 14 o 301.757 2.3107 910.967  9.6132  303.052 3.6577 300.462 2.8245 2.590057       4.621303 
1 1 1 22 10 16 o 232.086 2.1268 542.410  6.6365  228.553 3.5111 235.618 2.4012 -7.064850      4.253699 
1 1 1 22 10 18 o 136.611 1.9567 192.999  3.4220  127.401 3.3987 145.822 1.9400 -18.42044      3.913346 
1 1 1 22 10 20 o 24.390  5.7109 5.3691   1.9845  27.753  9.5005 21.027  6.3403 6.725466       11.42185 
1 1 1 22 10 22 o 60.041  3.2420 35.101   2.3863  63.100  5.6726 56.982  3.1408 6.117607       6.484085 
1 1 1 22 10 24 o 38.767  4.3194 14.162   2.1785  44.727  6.9701 32.806  5.1034 11.92112       8.638741 
1 1 1 22 10 26 o 133.404 1.9163 177.899  3.3087  134.317 3.2666 132.490 2.0045 1.827911       3.832584 
1 1 1 22 10 28 o 82.657  2.7368 71.049   2.6172  78.815  4.9810 86.499  2.2693 -7.683716      5.473581 
1 1 1 22 10 30 o 64.677  2.9013 41.625   2.4132  66.511  4.9477 62.843  3.0316 3.667751       5.802632 
1 1 1 22 10 32 o 97.651  2.5550 94.745   2.9626  99.965  4.5625 95.337  2.3011 4.628326       5.109915 
1 1 1 22 10 34 o 36.417  5.1926 15.953   2.3358  28.789  9.5005 44.044  4.1945 -15.25495      10.38527 
1 1 1 22 10 36 o 27.129  5.5966 8.0227   2.2580  32.628  8.4339 21.630  7.3591 10.99864       11.19318 
1 1 1 22 10 38 o 19.783  5.4598 3.4294   2.1144  23.874  8.7216 15.692  6.5704 8.181181       10.91953 
1 1 1 22 10 40 o 14.280  4.6735 -1.5697  2.0521  15.391  7.2844 13.168  5.8569 2.223085       9.346954 
1 1 1 22 10 42 o 20.281  5.4357 4.3507   1.9952  25.254  8.8540 15.308  6.3082 9.945621       10.87134 
1 1 1 22 11 1  o 18.686  4.1725 2.2409   1.5566  24.872  6.0783 12.501  5.7178 12.37088       8.344948 
1 1 1 22 11 3  o 137.714 1.8043 189.509  3.4391  138.622 2.8320 136.807 2.2366 1.815628       3.608693 
1 1 1 22 11 5  o 206.305 1.8934 426.130  5.4951  205.776 2.8336 206.833 2.5121 -1.056946      3.786859 
1 1 1 22 11 7  f 243.656 2.1051 591.684  6.9928  247.083 3.3880 240.229 2.4994 6.854248       4.210145 
1 1 1 22 11 9  o 202.182 1.8803 405.336  5.0848  207.051 3.0950 197.312 2.1359 9.739273       3.760505 
1 1 1 22 11 11 o 99.933  1.9404 99.923   2.7396  98.839  2.6869 101.027 2.8001 -2.188133      3.880707 
1 1 1 22 11 13 o 168.965 1.7976 286.041  4.0595  168.524 2.9804 169.406 2.0107 -0.8817139     3.595231 
1 1 1 22 11 15 o 58.672  3.1122 35.448   2.0502  56.591  5.7129 60.752  2.4708 -4.160744      6.224323 
1 1 1 22 11 17 o 91.966  2.0167 86.430   2.3916  88.044  3.4753 95.889  2.0471 -7.845093      4.033402 
1 1 1 22 11 19 o 96.160  2.0058 92.536   2.5038  96.385  3.4142 95.935  2.1062 0.4496918      4.011591 
1 1 1 22 11 21 o 116.763 1.9457 139.783  2.9913  110.145 3.3021 123.381 2.0589 -13.23569      3.891399 
1 1 1 22 11 23 f 97.993  2.2434 98.256   2.6408  94.846  4.0174 101.139 1.9979 -6.292404      4.486739 
1 1 1 22 11 25 o 115.800 2.1653 137.195  3.1698  111.532 3.7787 120.069 2.1156 -8.537544      4.330647 
1 1 1 22 11 27 o 18.163  5.6956 -0.6454  2.3263  22.850  9.6644 13.477  6.0300 9.372491       11.39130 
1 1 1 22 11 29 o 102.448 2.4612 107.525  3.0260  99.554  4.4073 105.341 2.1922 -5.787193      4.922418 
1 1 1 22 11 31 o 53.967  3.8066 31.419   2.3956  49.115  6.9351 58.818  3.1409 -9.702911      7.613211 
1 1 1 22 11 33 o 67.714  3.6508 46.040   2.9095  69.773  6.5367 65.654  3.2536 4.119553       7.301615 
1 1 1 22 11 35 o 21.097  5.5402 3.4423   2.2386  26.430  8.7824 15.764  6.7562 10.66560       11.08049 
1 1 1 22 11 37 o 36.815  4.8161 15.357   2.2262  35.510  8.4104 38.120  4.6950 -2.609238      9.632149 
1 1 1 22 11 39 o 26.226  5.5075 8.6840   2.2193  23.104  9.2936 29.347  5.9124 -6.243505      11.01493 
1 1 1 22 11 41 o 21.772  5.5849 5.7903   1.8503  23.561  9.4644 19.983  5.9321 3.577505       11.16982 
1 1 1 22 12 0  o 374.701 3.4828 1405.44  26.095  374.701 3.4828 ?       ?      0.000000       0.000000 
1 1 1 22 12 2  o 341.171 2.3233 1165.80  11.185  340.164 3.4113 342.177 3.1551 -2.013031      4.646694 
1 1 1 22 12 4  o 180.825 1.6932 327.181  4.3292  181.781 2.4137 179.869 2.3752 1.912064       3.386358 
1 1 1 22 12 6  o 155.581 1.6033 241.665  3.4067  156.751 2.5781 154.411 1.9068 2.340057       3.206680 
1 1 1 22 12 8  o 129.184 1.8330 166.299  3.1449  130.587 3.0505 127.781 2.0331 2.806328       3.665927 
1 1 1 22 12 10 o 259.005 2.2111 666.969  7.7652  264.466 3.5801 253.543 2.5958 10.92325       4.422117 
1 1 1 22 12 12 o 251.313 2.1664 628.484  7.3687  255.909 3.5193 246.716 2.5272 9.193130       4.332717 
1 1 1 22 12 14 o 88.214  1.8790 79.765   2.1790  83.156  3.1936 93.272  1.9807 -10.11651      3.757967 
1 1 1 22 12 16 o 121.008 2.2602 149.518  3.3063  117.313 4.0354 124.704 2.0370 -7.390961      4.520388 
1 1 1 22 12 18 o 232.481 2.1941 547.760  6.7739  225.948 3.6794 239.015 2.3913 -13.06679      4.388159 
1 1 1 22 12 20 o 210.374 2.1442 446.081  6.1010  206.994 3.5142 213.754 2.4578 -6.759689      4.288438 
1 1 1 22 12 22 o 111.751 2.0236 126.719  2.9460  108.699 3.4523 114.803 2.1121 -6.104172      4.047129 
1 1 1 22 12 24 o 47.579  4.8273 25.595   2.3990  41.236  9.0661 53.923  3.3190 -12.68728      9.654514 
1 1 1 22 12 26 o 50.947  4.1025 26.324   2.4759  50.997  7.3585 50.898  3.6297 0.9902191E-01  8.205039 
1 1 1 22 12 28 o 65.090  3.5421 42.643   2.5226  65.511  6.5213 64.669  2.7675 0.8424683      7.084267 
1 1 1 22 12 30 o 66.521  3.4415 46.064   2.5895  64.109  6.3037 68.934  2.7638 -4.824875      6.882981 
1 1 1 22 12 32 o 90.008  2.9564 81.568   2.9765  90.762  5.4067 89.253  2.3933 1.509338       5.912725 
1 1 1 22 12 34 o 63.224  2.6753 40.658   2.2980  63.994  4.3304 62.455  3.1429 1.538914       5.350688 
1 1 1 22 12 36 o 31.315  4.8951 11.078   2.0596  29.606  8.2670 33.024  5.2446 -3.418238      9.790290 
1 1 1 22 12 38 o 17.525  5.2991 1.1857   1.9614  22.778  9.0349 12.272  5.5400 10.50636       10.59812 
1 1 1 22 12 40 f 25.834  6.3167 8.2109   2.4471  32.653  10.474 19.016  7.0634 13.63713       12.63333 
1 1 1 22 13 1  o 310.560 2.1624 965.809  9.4969  310.253 3.0703 310.869 3.0457 -0.6160583     4.324727 
1 1 1 22 13 3  o 290.763 2.2773 847.002  9.3352  289.780 3.3670 291.746 3.0672 -1.965118      4.554586 
1 1 1 22 13 5  o 375.130 2.6065 1410.18  13.827  378.137 3.6642 372.123 3.7079 6.014191       5.212981 
1 1 1 22 13 7  o 327.067 2.4361 1066.95  10.797  331.177 3.9572 322.956 2.8423 8.220703       4.872159 
1 1 1 22 13 9  o 128.272 1.7771 163.256  3.0241  130.946 2.9539 125.597 1.9765 5.348969       3.554216 
1 1 1 22 13 11 o 71.075  2.1554 49.796   2.0999  74.914  3.3908 67.237  2.6618 7.677643       4.310794 
1 1 1 22 13 13 o 103.887 1.9212 107.252  2.7140  106.280 3.0963 101.494 2.2753 4.785690       3.842394 
1 1 1 22 13 15 o 135.104 1.7580 185.024  3.1492  130.948 2.9539 139.261 1.9070 -8.313400      3.515979 
1 1 1 22 13 17 o 131.239 1.7060 172.876  2.9460  130.538 2.8747 131.940 1.8378 -1.401886      3.411951 
1 1 1 22 13 19 o 208.399 1.9252 434.262  5.4280  209.667 3.1390 207.131 2.2298 2.535828       3.850380 
1 1 1 22 13 21 o 197.535 2.0101 392.531  5.3489  195.496 3.3075 199.574 2.2853 -4.077972      4.020207 
1 1 1 22 13 23 o 211.026 2.0191 447.368  5.8029  210.124 3.2696 211.929 2.3700 -1.804993      4.038187 
1 1 1 22 13 25 o 99.403  2.5883 100.065  2.9747  98.422  4.6927 100.384 2.1854 -1.962387      5.176591 
1 1 1 22 13 27 o 55.572  4.1627 31.642   2.6666  55.019  7.5551 56.124  3.4974 -1.105690      8.325356 
1 1 1 22 13 29 o 53.771  4.0053 29.997   2.4884  52.357  7.2776 55.185  3.3477 -2.827423      8.010652 
1 1 1 22 13 31 o 46.224  5.8917 26.261   2.5797  38.066  11.314 54.382  3.2910 -16.31612      11.78334 
1 1 1 22 13 33 o 70.444  3.2786 51.642   2.6546  68.697  5.9668 72.191  2.7191 -3.494011      6.557140 
1 1 1 22 13 35 o 36.004  4.8339 14.123   2.2262  36.627  8.2387 35.380  5.0585 1.247498       9.667712 
1 1 1 22 13 37 o 17.903  5.4773 1.6573   2.0376  21.634  9.1857 14.171  5.9687 7.462634       10.95452 
1 1 1 22 13 39 o 36.628  7.2731 19.413   3.9425  31.384  10.077 41.873  10.491 -10.48939      14.54620 
1 1 1 22 14 0  o 405.601 4.0006 1647.56  32.446  405.601 4.0006 ?       ?      0.000000       0.000000 
1 1 1 22 14 2  o 314.041 2.3235 987.714  10.276  314.271 3.4536 313.810 3.1091 0.4612732      4.646936 
1 1 1 22 14 4  o 95.943  1.7445 92.104   2.3656  96.724  2.5069 95.163  2.4267 1.560265       3.489011 
1 1 1 22 14 6  o 73.955  2.3789 54.776   2.4704  74.063  3.5857 73.847  3.1271 0.2165146      4.757744 
1 1 1 22 14 8  o 131.708 2.0701 173.632  3.8025  132.019 3.1923 131.398 2.6362 0.6215668      4.140110 
1 1 1 22 14 10 o 81.975  2.2224 65.049   2.3975  88.240  3.6639 75.710  2.5164 12.53046       4.444801 
1 1 1 22 14 12 o 63.201  2.4823 40.834   2.0596  60.206  4.2192 66.196  2.6164 -5.989826      4.964608 
1 1 1 22 14 14 f 166.455 1.8919 278.486  4.1980  164.979 3.1494 167.931 2.0971 -2.951508      3.783748 
1 1 1 22 14 16 o 57.562  3.4550 36.095   2.2556  50.804  6.3637 64.320  2.6928 -13.51549      6.909933 
1 1 1 22 14 18 o 47.690  3.2826 23.280   2.0596  45.642  5.5656 49.739  3.4821 -4.097538      6.565118 
1 1 1 22 14 20 o 73.515  2.3693 55.040   2.3371  70.375  3.9377 76.655  2.6360 -6.280151      4.738571 
1 1 1 22 14 22 o 21.068  5.9892 2.4296   2.4114  23.441  9.6915 18.695  7.0396 4.746305       11.97834 
1 1 1 22 14 24 o 18.027  5.6884 -2.7735  2.3926  25.357  10.127 10.698  5.1851 14.65930       11.37684 
1 1 1 22 14 26 o 22.629  5.9700 3.4494   2.5469  21.521  9.5426 23.737  7.1764 -2.216272      11.93995 
1 1 1 22 14 28 o 32.425  5.6036 12.144   2.2498  26.640  10.438 38.210  4.0794 -11.57039      11.20722 
1 1 1 22 14 30 o 50.113  4.5014 25.712   2.3965  50.470  8.3504 49.757  3.3649 0.7136574      9.002850 
1 1 1 22 14 32 o 24.461  5.8973 5.6858   2.4143  22.772  9.7649 26.150  6.6149 -3.378300      11.79451 
1 1 1 22 14 34 o 23.546  5.4916 5.8330   2.1424  21.589  8.9584 25.502  6.3544 -3.913734      10.98326 
1 1 1 22 14 36 o 17.638  5.3677 -0.6941  2.4961  23.226  9.0180 12.050  5.8245 11.17632       10.73541 
1 1 1 22 14 38 f 23.197  6.9140 5.4370   3.9292  19.425  8.7805 26.969  10.683 -7.544376      13.82799 
1 1 1 22 15 1  o 134.623 1.5769 181.309  3.0010  131.859 2.2329 137.387 2.2271 -5.528015      3.153764 
1 1 1 22 15 3  o 155.253 1.6573 241.029  3.6335  148.787 2.3669 161.719 2.3204 -12.93196      3.314628 
1 1 1 22 15 5  o 80.226  2.0400 64.561   2.3078  82.064  2.7437 78.388  3.0196 3.675743       4.079929 
1 1 1 22 15 7  o 171.663 1.8670 292.780  4.3780  175.932 2.9862 167.394 2.2418 8.537872       3.734013 
1 1 1 22 15 9  o 147.117 1.8284 216.158  3.7178  145.649 2.2594 148.585 2.8753 -2.935303      3.656750 
1 1 1 22 15 11 o 39.624  3.7052 15.439   1.9998  42.419  5.8522 36.829  4.5459 5.590172       7.410424 
1 1 1 22 15 13 o 22.029  5.3399 3.9916   2.0871  19.860  8.4516 24.199  6.5290 -4.338970      10.67973 
1 1 1 22 15 15 o 110.521 1.9223 121.095  2.8496  113.609 3.1506 107.434 2.2032 6.175217       3.844577 
1 1 1 22 15 17 o 92.584  2.3615 88.112   2.7071  88.524  4.1739 96.643  2.2103 -8.118881      4.722969 
1 1 1 22 15 19 o 132.236 2.0063 175.924  3.4309  131.220 3.4317 133.253 2.0796 -2.033432      4.012685 
1 1 1 22 15 21 o 99.580  2.2264 99.818   3.0107  98.790  3.6232 100.370 2.5884 -1.580032      4.452807 
1 1 1 22 15 23 o 108.568 2.3525 118.977  3.1030  107.799 4.1773 109.337 2.1649 -1.538635      4.704986 
1 1 1 22 15 25 f 78.107  2.6808 62.343   2.5497  76.320  4.7656 79.893  2.4569 -3.573280      5.361687 
1 1 1 22 15 27 o 45.800  4.8105 21.176   2.4698  47.426  8.7262 44.174  4.0515 3.252411       9.620902 
1 1 1 22 15 29 o 32.028  6.0680 11.076   2.4237  30.179  11.084 33.877  4.9422 -3.698114      12.13598 
1 1 1 22 15 31 o 20.142  5.7547 2.4597   2.1388  24.751  9.6067 15.532  6.3387 9.218891       11.50946 
1 1 1 22 15 33 o 20.993  5.9972 3.0323   2.4550  22.055  9.7410 19.932  6.9986 2.123537       11.99442 
1 1 1 22 15 35 f 20.160  5.7345 3.4069   2.4155  23.771  9.0693 16.548  7.0204 7.223280       11.46903 
1 1 1 22 15 37 o 17.928  5.9157 -2.0721  3.6859  17.492  8.0921 18.364  8.6314 -0.8719845     11.83147 
1 1 1 22 15 39 o 33.766  7.4668 19.001   4.0355  36.382  9.8954 31.149  11.184 5.232992       14.93351 
1 1 1 22 16 0  o 139.191 2.2411 193.980  6.2351  139.191 2.2411 ?       ?      0.000000       0.000000 
1 1 1 22 16 2  o 219.766 1.8130 483.744  5.6216  220.905 2.4566 218.626 2.6671 2.278259       3.626080 
1 1 1 22 16 4  o 111.543 1.6468 124.484  2.5967  109.475 2.3204 113.611 2.3375 -4.135651      3.293649 
1 1 1 22 16 6  o 94.747  1.8545 89.947   2.4825  97.185  2.5544 92.310  2.6893 4.874634       3.709077 
1 1 1 22 16 8  o 141.428 2.0783 200.375  4.1559  141.085 2.9053 141.771 2.9727 -0.6867218     4.156682 
1 1 1 22 16 10 o 119.064 1.7485 141.926  2.9432  121.097 2.4791 117.031 2.4665 4.065887       3.497074 
1 1 1 22 16 12 o 42.450  4.8637 19.269   2.5038  38.926  8.6779 45.975  4.3951 -7.048595      9.727427 
1 1 1 22 16 14 o 79.167  2.4841 61.627   2.4727  81.967  4.2964 76.367  2.4947 5.600006       4.968207 
1 1 1 22 16 16 o 78.181  2.6670 61.104   2.5638  78.647  4.6980 77.715  2.5258 0.9326477      5.333936 
1 1 1 22 16 18 o 94.457  2.2309 89.188   2.7643  95.210  3.7595 93.704  2.4028 1.505608       4.461761 
1 1 1 22 16 20 o 51.326  3.4005 26.811   2.1154  50.561  6.0517 52.090  3.1033 -1.528954      6.801001 
1 1 1 22 16 22 o 52.487  3.3628 27.534   2.3966  54.455  5.4070 50.518  3.9998 3.936344       6.725590 
1 1 1 22 16 24 o 73.787  3.1047 55.486   2.7450  72.776  5.5530 74.798  2.7786 -2.022034      6.209428 
1 1 1 22 16 26 f 34.255  5.8916 13.464   2.5326  28.593  10.897 39.916  4.4837 -11.32276      11.78325 
1 1 1 22 16 28 o 22.667  6.0582 3.9530   2.4451  22.908  9.9019 22.426  6.9829 0.4816113      12.11645 
1 1 1 22 16 30 o 26.108  5.5735 7.1663   2.1628  23.180  9.7674 29.036  5.3717 -5.856516      11.14705 
1 1 1 22 16 32 o 15.665  5.1265 -2.9678  2.3870  16.722  8.0902 14.608  6.2988 2.114747       10.25309 
1 1 1 22 16 34 o 17.630  5.4446 0.7663   2.4562  20.076  8.5385 15.184  6.7580 4.892253       10.88929 
1 1 1 22 16 36 o 17.935  5.8448 -1.0316  3.3087  17.041  7.6103 18.828  8.8731 -1.787598      11.68962 
1 1 1 22 16 38 o 27.966  6.7584 11.645   4.1504  36.396  9.8938 19.536  9.2096 16.85915       13.51685 
1 1 1 22 17 1  o 53.553  2.9722 28.680   2.2382  55.101  4.4006 52.005  3.9965 3.096268       5.944472 
1 1 1 22 17 3  o 119.773 1.7206 143.353  2.9083  123.140 2.4848 116.407 2.3806 6.733017       3.441150 
1 1 1 22 17 5  o 221.219 1.8175 489.709  5.6795  217.708 2.5192 224.730 2.6203 -7.021835      3.634935 
1 1 1 22 17 7  o 167.912 1.8047 282.011  4.2340  166.632 2.3213 169.193 2.7639 -2.561096      3.609392 
1 1 1 22 17 9  o 164.842 1.9200 272.637  4.3974  165.960 2.4003 163.723 2.9973 2.236877       3.839933 
1 1 1 22 17 11 o 153.909 1.7516 236.977  3.7963  155.824 2.5935 151.994 2.3550 3.830582       3.503138 
1 1 1 22 17 13 o 129.097 1.7582 166.527  3.0903  130.089 2.8403 128.104 2.0731 1.985107       3.516335 
1 1 1 22 17 15 o 145.363 1.8850 212.397  3.7045  144.003 3.0870 146.723 2.1641 -2.719330      3.770021 
1 1 1 22 17 17 o 136.709 2.1419 188.871  3.6342  134.917 3.7656 138.502 2.0425 -3.585190      4.283884 
1 1 1 22 17 19 o 74.654  2.8229 55.346   2.4471  75.979  5.0910 73.330  2.4406 2.648979       5.645761 
1 1 1 22 17 21 o 76.912  3.1069 60.066   2.8856  76.143  5.5349 77.680  2.8242 -1.536293      6.213785 
1 1 1 22 17 23 o 37.951  5.7986 15.392   2.6812  36.613  10.394 39.289  5.1430 -2.675278      11.59725 
1 1 1 22 17 25 o 20.001  6.1130 0.6263   2.6241  23.996  10.157 16.006  6.8046 7.990387       12.22602 
1 1 1 22 17 27 o 73.071  3.4281 55.547   2.7340  71.045  6.3384 75.096  2.6138 -4.051208      6.856178 
1 1 1 22 17 29 o 18.749  5.6758 0.5738   2.4586  19.690  8.9731 17.808  6.9528 1.882219       11.35155 
1 1 1 22 17 31 o 27.252  5.3409 8.2690   2.3220  21.861  9.2709 32.643  5.3058 -10.78175      10.68184 
1 1 1 22 17 33 o 38.805  5.6729 19.900   2.3774  30.735  10.769 46.875  3.5717 -16.14004      11.34583 
1 1 1 22 17 35 o 28.422  6.9275 11.099   3.6723  33.254  9.6677 23.589  9.9247 9.664782       13.85507 
1 1 1 22 17 37 o 19.312  6.0862 0.6806   3.7435  22.036  9.0834 16.588  8.1029 5.447245       12.17230 
1 1 1 22 18 0  o 315.412 3.4237 996.690  21.592  315.412 3.4237 ?       ?      0.000000       0.000000 
1 1 1 22 18 2  o 210.047 2.0573 439.302  5.9757  215.454 3.2155 204.640 2.5673 10.81450       4.114624 
1 1 1 22 18 4  o 112.602 1.6856 126.884  2.6818  110.865 2.3434 114.340 2.4236 -3.475662      3.371229 
1 1 1 22 18 6  o 141.024 1.7795 198.221  3.5221  145.935 2.6505 136.113 2.3752 9.822388       3.559097 
1 1 1 22 18 8  o 157.121 1.6885 246.917  3.7446  160.324 2.4487 153.918 2.3255 6.406174       3.376979 
1 1 1 22 18 10 o 73.441  2.2610 54.782   2.3035  78.876  2.7814 68.007  3.5655 10.86883       4.521996 
1 1 1 22 18 12 o 120.175 1.7511 144.741  2.9707  119.256 2.5657 121.094 2.3838 -1.837555      3.502211 
1 1 1 22 18 14 o 201.728 2.1205 406.968  5.8793  203.801 3.3710 199.654 2.5735 4.147491       4.241079 
1 1 1 22 18 16 o 71.171  2.3802 51.491   2.1924  69.317  4.0811 73.026  2.4508 -3.708748      4.760418 
1 1 1 22 18 18 o 55.448  4.4393 35.246   2.6125  46.134  8.3123 64.762  3.1201 -18.62752      8.878607 
1 1 1 22 18 20 o 84.252  3.0590 75.586   3.0463  77.070  5.5433 91.435  2.5888 -14.36505      6.117971 
1 1 1 22 18 22 o 110.432 2.4617 126.601  3.4575  103.569 4.2922 117.295 2.4118 -13.72590      4.923376 
1 1 1 22 18 24 o 45.077  4.8046 19.017   2.6352  52.075  8.2039 38.080  5.0031 13.99516       9.609124 
1 1 1 22 18 26 o 105.691 2.3089 112.701  3.0463  105.835 4.0366 105.547 2.2426 0.2884979      4.617776 
1 1 1 22 18 28 o 66.397  3.6158 45.609   2.6001  65.600  6.6885 67.195  2.7494 -1.595573      7.231562 
1 1 1 22 18 30 o 34.384  6.1546 13.509   2.6899  32.975  11.020 35.792  5.4842 -2.816597      12.30922 
1 1 1 22 18 32 o 18.465  5.4007 1.1296   2.3474  17.619  8.3345 19.311  6.8707 -1.692142      10.80146 
1 1 1 22 18 34 o 27.445  7.4672 10.561   4.1034  28.131  10.329 26.759  10.786 1.371323       14.93444 
1 1 1 22 18 36 o 31.010  7.3273 15.655   3.8129  32.625  9.9172 29.395  10.789 3.229984       14.65461 
1 1 1 22 19 1  o 159.476 1.8441 254.866  4.1535  159.069 2.6857 159.883 2.5276 -0.8139038     3.688107 
1 1 1 22 19 3  o 73.183  2.1318 53.813   2.1923  67.350  3.1716 79.015  2.8495 -11.66534      4.263688 
1 1 1 22 19 5  o 87.185  1.9948 76.322   2.4533  90.001  2.6941 84.368  2.9425 5.633255       3.989537 
1 1 1 22 19 7  o 132.063 1.7786 174.801  3.3194  134.054 2.4548 130.072 2.5743 3.982208       3.557117 
1 1 1 22 19 9  o 107.298 1.9112 115.674  2.8762  109.382 2.4807 105.213 2.9082 4.169235       3.822480 
1 1 1 22 19 11 o 36.589  4.3763 13.795   2.1878  41.411  5.5765 31.767  6.7462 9.644058       8.752621 
1 1 1 22 19 13 o 23.505  5.4931 5.2883   2.1646  26.072  7.8078 20.939  7.7288 5.133713       10.98621 
1 1 1 22 19 15 o 54.678  3.6180 30.355   2.6545  54.039  5.9827 55.317  4.0703 -1.278114      7.236001 
1 1 1 22 19 17 o 71.783  2.9607 52.240   2.7643  70.954  5.0447 72.612  3.1008 -1.658142      5.921491 
1 1 1 22 19 19 o 55.097  5.1977 35.596   2.8733  45.860  9.8510 64.335  3.3203 -18.47556      10.39547 
1 1 1 22 19 21 o 93.529  2.6011 90.049   3.0470  89.765  4.5663 97.292  2.4922 -7.527084      5.202187 
1 1 1 22 19 23 o 71.888  3.1470 52.691   2.8147  71.077  5.5233 72.699  3.0177 -1.622337      6.293921 
1 1 1 22 19 25 o 83.496  2.5435 70.365   2.8074  84.092  4.2565 82.899  2.7857 1.192787       5.087028 
1 1 1 22 19 27 o 15.213  5.0194 -3.7772  2.4727  16.143  7.7256 14.283  6.4104 1.860332       10.03882 
1 1 1 22 19 29 o 43.746  5.5829 21.331   2.7012  42.556  10.276 44.936  4.3682 -2.380013      11.16589 
1 1 1 22 19 31 o 21.634  5.8626 4.0080   2.5125  20.502  9.3309 22.766  7.1003 -2.263771      11.72518 
1 1 1 22 19 33 o 19.854  6.5334 -3.4979  4.6179  23.003  10.197 16.705  8.1708 6.297916       13.06685 
1 1 1 22 19 35 o 26.619  7.3180 11.063   3.8432  25.156  9.5251 28.083  11.112 -2.927141      14.63604 
1 1 1 22 20 0  o 132.643 2.6137 176.314  6.9279  132.643 2.6137 ?       ?      0.000000       0.000000 
1 1 1 22 20 2  o 146.273 1.6038 213.613  3.3073  151.431 2.3256 141.116 2.2092 10.31525       3.207648 
1 1 1 22 20 4  o 153.107 1.7866 234.143  3.8465  156.706 2.6526 149.507 2.3941 7.198654       3.573229 
1 1 1 22 20 6  o 142.965 1.7159 204.936  3.4601  144.649 2.3149 141.281 2.5335 3.368362       3.431838 
1 1 1 22 20 8  o 33.540  4.8547 11.864   2.2193  34.704  6.3951 32.377  7.3057 2.326298       9.709319 
1 1 1 22 20 10 o 93.257  1.9699 87.207   2.5967  92.613  2.7428 93.901  2.8282 -1.287605      3.939762 
1 1 1 22 20 12 o 60.459  2.8705 36.814   2.4533  61.791  4.0176 59.127  4.1009 2.663502       5.740922 
1 1 1 22 20 14 o 70.006  2.5945 49.293   2.5662  68.578  3.6199 71.433  3.7177 -2.854355      5.188975 
1 1 1 22 20 16 o 22.061  6.1202 3.2259   2.7140  23.014  9.2787 21.108  7.9832 1.905764       12.24030 
1 1 1 22 20 18 o 68.569  3.0994 47.235   2.7813  69.594  5.2262 67.544  3.3335 2.050179       6.198851 
1 1 1 22 20 20 o 22.643  6.0336 4.0387   2.3956  25.546  9.6855 19.741  7.1980 5.804550       12.06728 
1 1 1 22 20 22 o 33.607  5.9570 12.320   2.7035  32.874  9.9021 34.340  6.6250 -1.466122      11.91391 
1 1 1 22 20 24 o 63.227  3.4868 41.606   2.7981  60.871  6.0700 65.583  3.4331 -4.712093      6.973614 
1 1 1 22 20 26 o 43.311  5.4740 22.339   2.6896  35.993  10.149 50.628  4.1051 -14.63508      10.94801 
1 1 1 22 20 28 o 20.117  5.8545 1.7843   2.6241  19.829  9.1370 20.404  7.3223 -0.5752068     11.70901 
1 1 1 22 20 30 o 18.802  5.7601 0.5344   2.7446  18.698  8.9103 18.907  7.3021 -0.2096386     11.52014 
1 1 1 22 20 32 o 31.758  6.3873 13.284   2.9200  28.166  11.341 35.350  5.8794 -7.183422      12.77457 
1 1 1 22 20 34 o 20.104  6.4192 2.3307   3.8351  19.316  8.6227 20.892  9.5117 -1.576330      12.83836 
1 1 1 22 21 1  o 18.830  5.4579 1.1632   2.3349  20.493  8.0698 17.168  7.3509 3.324755       10.91588 
1 1 1 22 21 3  o 39.106  4.1766 15.446   2.3035  36.990  5.9309 41.222  5.8822 -4.232178      8.353207 
1 1 1 22 21 5  f 66.122  2.5576 43.519   2.3677  62.054  3.4423 70.189  3.7836 -8.135605      5.115198 
1 1 1 22 21 7  o 124.524 1.9178 155.521  3.3771  124.064 2.6990 124.984 2.7253 -0.9208374     3.835606 
1 1 1 22 21 9  o 81.029  2.3237 66.076   2.6507  82.293  3.0868 79.766  3.4741 2.527382       4.647339 
1 1 1 22 21 11 o 77.487  2.3177 60.278   2.5350  75.941  3.1929 79.033  3.3602 -3.091553      4.635312 
1 1 1 22 21 13 o 108.356 1.9869 118.081  3.0285  116.441 2.6774 100.271 2.9364 16.16989       3.973751 
1 1 1 22 21 15 o 57.779  2.8642 33.746   2.3378  59.720  3.9636 55.838  4.1357 3.881832       5.728352 
1 1 1 22 21 17 f 21.080  5.3695 3.7697   1.9580  17.913  6.7011 24.246  8.3916 -6.333239      10.73891 
1 1 1 22 21 19 o 48.468  4.8908 26.119   2.7813  42.383  8.8682 54.554  4.1272 -12.17101      9.781598 
1 1 1 22 21 21 o 45.640  3.8311 21.505   2.3574  44.864  6.3055 46.416  4.3533 -1.552361      7.662248 
1 1 1 22 21 23 o 26.187  6.1560 7.0371   2.4906  28.269  9.8252 24.104  7.4196 4.165546       12.31199 
1 1 1 22 21 25 o 16.080  5.3024 -3.6691  2.7039  17.492  8.2738 14.669  6.6337 2.822680       10.60482 
1 1 1 22 21 27 o 27.505  6.1109 8.3904   2.8481  23.342  10.063 31.667  6.9355 -8.325172      12.22178 
1 1 1 22 21 29 o 35.255  6.3213 14.808   2.8352  39.029  10.547 31.481  6.9705 7.548590       12.64259 
1 1 1 22 21 31 o 38.143  5.5773 16.704   2.6172  41.755  9.5974 34.531  5.6845 7.224049       11.15452 
1 1 1 22 21 33 o 19.910  6.2476 2.6464   3.5563  20.515  8.7550 19.306  8.9153 1.209074       12.49529 
1 1 1 22 22 0  o 20.121  10.120 6.1196   4.9650  20.121  10.120 ?       ?      0.000000       0.000000 
1 1 1 22 22 2  o 64.064  2.6531 41.295   2.3928  59.437  3.8853 68.690  3.6140 -9.253448      5.306283 
1 1 1 22 22 4  o 114.086 1.9012 130.695  3.0500  113.255 2.8546 114.916 2.5119 -1.661728      3.802464 
1 1 1 22 22 6  o 178.979 1.8264 321.547  4.6157  180.687 2.4922 177.271 2.6705 3.415726       3.652776 
1 1 1 22 22 8  o 76.845  2.4739 59.495   2.6842  78.729  3.3732 74.962  3.6197 3.766937       4.947828 
1 1 1 22 22 10 o 36.637  4.8740 14.134   2.4451  29.539  7.7290 43.735  5.9402 -14.19667      9.747988 
1 1 1 22 22 12 o 61.596  2.8539 38.345   2.4771  61.813  3.8293 61.379  4.2326 0.4341087      5.707785 
1 1 1 22 22 14 o 112.464 2.2181 127.564  3.4391  113.501 2.6958 111.426 3.5232 2.074730       4.436283 
1 1 1 22 22 16 o 16.654  5.1751 -0.8852  2.3093  17.775  7.7567 15.532  6.8529 2.242715       10.35029 
1 1 1 22 22 18 o 21.349  5.5948 3.4083   2.3292  17.647  7.3920 25.051  8.4004 -7.404261      11.18969 
1 1 1 22 22 20 o 29.199  6.9448 8.7228   3.0517  30.863  11.483 27.534  7.8139 3.328445       13.88952 
1 1 1 22 22 22 o 31.516  6.1000 11.261   2.6896  29.440  10.376 33.591  6.4168 -4.150993      12.20003 
1 1 1 22 22 24 o 36.729  5.8368 14.351   2.7523  43.360  9.1996 30.098  7.1860 13.26200       11.67359 
1 1 1 22 22 26 o 64.407  3.9781 43.761   3.1522  64.182  7.0162 64.632  3.7516 -0.4502182     7.956231 
1 1 1 22 22 28 o 42.070  6.3937 22.708   3.2330  37.766  11.670 46.374  5.2287 -8.608631      12.78750 
1 1 1 22 22 30 o 22.362  5.7197 4.9351   2.2740  29.559  9.3954 15.166  6.5257 14.39270       11.43934 
1 1 1 22 22 32 o 22.076  6.9321 4.6507   4.5492  19.462  9.2072 24.690  10.366 -5.227957      13.86422 
1 1 1 22 23 1  o 60.600  3.1229 37.320   2.6507  57.905  4.7857 63.295  4.0133 -5.389980      6.245778 
1 1 1 22 23 3  o 72.574  2.6146 52.920   2.6768  69.381  3.6612 75.766  3.7337 -6.384415      5.229278 
1 1 1 22 23 5  o 85.037  2.2373 72.849   2.6842  87.724  3.0273 82.350  3.2950 5.373856       4.474534 
1 1 1 22 23 7  o 151.525 1.9549 230.801  4.1838  153.178 2.6760 149.872 2.8506 3.305923       3.909789 
1 1 1 22 23 9  o 108.080 2.0991 117.519  3.1976  108.455 2.8213 107.705 3.1089 0.7501450      4.198199 
1 1 1 22 23 11 o 21.699  5.6007 4.0709   2.2456  22.188  7.7741 21.209  8.0644 0.9790630      11.20136 
1 1 1 22 23 13 f 89.842  2.2271 81.175   2.8242  90.558  3.2513 89.126  3.0445 1.431839       4.454221 
1 1 1 22 23 15 o 76.996  2.9740 59.138   3.1299  73.059  3.6350 80.932  4.7080 -7.873085      5.947993 
1 1 1 22 23 17 o 50.862  3.6477 26.273   2.5884  48.240  4.7871 53.485  5.5050 -5.245102      7.295323 
1 1 1 22 23 19 o 54.887  3.3264 31.410   2.5084  61.134  3.9663 48.640  5.3412 12.49450       6.652837 
1 1 1 22 23 21 o 67.691  3.4861 47.755   2.8580  65.953  6.2150 69.429  3.1598 -3.476089      6.972161 
1 1 1 22 23 23 o 73.558  3.2174 54.229   2.9122  77.006  5.6228 70.110  3.1291 6.896690       6.434868 
1 1 1 22 23 25 f 37.156  5.9054 18.034   2.6775  28.547  11.053 45.765  4.1630 -17.21774      11.81076 
1 1 1 22 23 27 o 18.994  6.0183 0.9315   2.8426  21.101  9.7304 16.887  7.0850 4.213472       12.03655 
1 1 1 22 23 29 o 44.473  5.9320 24.754   3.0661  42.039  10.794 46.906  4.9232 -4.866848      11.86409 
1 1 1 22 23 31 o 34.432  6.6874 18.357   2.9664  28.764  12.502 40.100  4.7510 -11.33663      13.37476 
1 1 1 22 24 0  o 57.394  5.0013 33.947   5.6578  57.394  5.0013 ?       ?      0.000000       0.000000 
1 1 1 22 24 2  o 22.622  5.7090 4.4919   2.3656  24.947  8.1021 20.297  8.0453 4.650509       11.41800 
1 1 1 22 24 4  o 54.475  3.5740 29.996   2.6909  55.676  5.5995 53.275  4.4430 2.400894       7.148057 
1 1 1 22 24 6  o 105.825 2.0063 112.576  3.0010  105.781 2.7834 105.869 2.8902 -0.8772278E-01 4.012562 
1 1 1 22 24 8  o 74.757  2.7091 56.384   2.8435  74.902  4.0851 74.613  3.5593 0.2887268      5.418161 
1 1 1 22 24 10 o 82.901  2.4372 68.932   2.8341  80.279  3.2362 85.523  3.6452 -5.244469      4.874478 
1 1 1 22 24 12 o 20.225  5.6964 2.3093   2.4825  21.821  8.2699 18.628  7.8360 3.192228       11.39273 
1 1 1 22 24 14 o 62.293  2.8454 39.604   2.4825  57.288  4.3333 67.297  3.6888 -10.00933      5.690810 
1 1 1 22 24 16 o 98.369  2.6668 97.562   3.6218  96.048  3.3059 100.691 4.1855 -4.643242      5.333658 
1 1 1 22 24 18 o 45.439  4.0512 21.519   2.5928  42.287  5.8706 48.590  5.5843 -6.303413      8.102358 
1 1 1 22 24 20 o 37.385  5.1541 15.641   2.6113  41.810  5.7994 32.959  8.5222 8.851051       10.30829 
1 1 1 22 24 22 o 49.764  5.2634 27.136   2.9095  49.070  9.6380 50.457  4.2335 -1.386894      10.52683 
1 1 1 22 24 24 o 22.479  6.5611 3.9542   3.0177  23.752  10.597 21.207  7.7392 2.544899       13.12219 
1 1 1 22 24 26 o 23.902  6.5620 6.3202   2.8441  25.566  10.642 22.238  7.6800 3.328140       13.12407 
1 1 1 22 24 28 o 29.989  6.6779 11.741   2.9066  35.228  10.697 24.749  7.9965 10.47855       13.35585 
1 1 1 22 24 30 f 29.263  7.6993 15.201   4.0965  27.960  12.728 30.566  8.6670 -2.605692      15.39870 
1 1 1 22 25 1  o 93.504  2.3133 87.707   3.0424  90.773  3.1164 96.234  3.4195 -5.461319      4.626574 
1 1 1 22 25 3  o 119.022 2.1916 143.024  3.6476  116.448 3.3713 121.596 2.8012 -5.147659      4.383211 
1 1 1 22 25 5  f 42.623  4.1184 18.590   2.4825  42.488  5.8428 42.759  5.8058 -0.2708931     8.236855 
1 1 1 22 25 7  o 96.881  2.4029 94.665   3.2867  97.090  3.5083 96.673  3.2846 0.4173660      4.805876 
1 1 1 22 25 9  o 95.878  2.1520 92.563   2.9083  95.491  2.9020 96.265  3.1785 -0.7734756     4.304025 
1 1 1 22 25 11 o 92.426  2.4362 86.553   3.1711  94.368  3.2424 90.483  3.6369 3.885933       4.872381 
1 1 1 22 25 13 o 24.396  6.1222 5.7255   2.6243  26.706  9.1485 22.085  8.1383 4.621098       12.24446 
1 1 1 22 25 15 o 28.786  5.4434 9.2042   2.4193  34.743  6.8917 22.828  8.4278 11.91586       10.88686 
1 1 1 22 25 17 o 38.115  5.7910 16.861   3.0431  45.261  5.9950 30.969  9.9098 14.29244       11.58207 
1 1 1 22 25 19 o 18.939  5.5314 1.8678   2.3772  18.844  7.3816 19.034  8.2399 -0.1900387     11.06270 
1 1 1 22 25 21 o 34.203  5.3265 13.776   2.4339  38.866  5.1990 29.539  9.2982 9.326620       10.65298 
1 1 1 22 25 23 o 24.349  6.5860 6.6450   2.9237  28.200  10.525 20.499  7.9195 7.700819       13.17201 
1 1 1 22 25 25 o 20.711  6.4662 1.8067   3.0636  26.848  11.061 14.574  6.7003 12.27386       12.93241 
1 1 1 22 25 27 o 36.161  7.2611 17.405   3.2397  38.202  12.811 34.120  6.8401 4.081371       14.52226 
1 1 1 22 25 29 o 30.846  6.5780 14.043   3.0895  29.542  10.380 32.149  8.0831 -2.606951      13.15590 
1 1 1 22 26 0  o 113.110 2.9136 128.628  6.5815  113.110 2.9136 ?       ?      0.000000       0.000000 
1 1 1 22 26 2  o 102.684 2.2867 106.269  3.3173  106.203 3.2073 99.165  3.2602 7.038719       4.573367 
1 1 1 22 26 4  o 35.234  5.4765 13.524   2.6544  36.246  7.4235 34.223  8.0537 2.023113       10.95306 
1 1 1 22 26 6  o 47.038  3.9564 22.825   2.6240  47.760  5.3187 46.316  5.8585 1.444366       7.912702 
1 1 1 22 26 8  o 73.820  2.7144 55.257   2.8100  73.016  3.5581 74.625  4.1003 -1.608841      5.428812 
1 1 1 22 26 10 o 16.832  5.3416 -1.9629  2.6557  17.408  7.7049 16.255  7.4003 1.153355       10.68316 
1 1 1 22 26 12 f 25.363  5.7755 6.8070   2.4610  28.426  7.7216 22.300  8.5909 6.126209       11.55107 
1 1 1 22 26 14 o 59.143  3.3445 35.941   2.7122  58.907  4.0182 59.379  5.3475 -0.4713707     6.688922 
1 1 1 22 26 16 o 107.353 2.1686 116.627  3.2654  109.921 3.2564 104.785 2.8650 5.135391       4.337276 
1 1 1 22 26 18 o 98.347  2.5958 99.786   3.5645  101.887 3.2865 94.808  4.0190 7.078781       5.191657 
1 1 1 22 26 20 o 37.635  4.8648 15.900   2.5284  34.711  7.0645 40.559  6.6901 -5.847534      9.729513 
1 1 1 22 26 22 o 30.896  5.3986 11.797   2.3176  33.746  6.0346 28.047  8.9535 5.699417       10.79726 
1 1 1 22 26 24 o 39.275  6.4078 21.030   3.0868  33.773  11.788 44.776  5.0285 -11.00329      12.81551 
1 1 1 22 26 26 o 23.728  6.2120 6.9463   2.9866  21.090  9.6793 26.366  7.7888 -5.275951      12.42392 
1 1 1 22 27 1  o 199.515 2.1278 401.510  5.9992  202.124 3.0562 196.906 2.9613 5.217804       4.255548 
1 1 1 22 27 3  o 151.517 1.8995 231.278  4.0699  151.639 2.6650 151.395 2.7075 0.2445374      3.799074 
1 1 1 22 27 5  o 80.817  2.5015 66.234   2.8575  81.721  3.4616 79.913  3.6122 1.808304       5.003073 
1 1 1 22 27 7  o 15.469  5.1197 -4.7055  2.7854  14.536  6.8434 16.403  7.6166 -1.867886      10.23940 
1 1 1 22 27 9  o 20.340  5.9744 1.9440   2.8242  19.612  8.2184 21.067  8.6736 -1.455183      11.94878 
1 1 1 22 27 11 o 27.686  6.2830 8.5051   2.7973  25.978  8.7824 29.394  8.9873 -3.415890      12.56594 
1 1 1 22 27 13 f 26.890  6.0616 8.1578   2.6507  24.603  8.8309 29.177  8.3060 -4.573589      12.12330 
1 1 1 22 27 15 o 29.292  6.0064 9.7102   2.6147  24.107  8.0001 34.477  8.9613 -10.37038      12.01283 
1 1 1 22 27 17 o 51.918  4.3234 30.224   2.9258  58.781  4.4197 45.055  7.4320 13.72605       8.646895 
1 1 1 22 27 19 o 47.147  4.9117 26.076   3.0206  51.786  5.2397 42.508  8.3094 9.277714       9.823462 
1 1 1 22 27 21 o 37.284  5.6460 17.136   2.8762  37.523  7.4966 37.045  8.4445 0.4773788      11.29198 
1 1 1 22 27 23 o 15.592  5.3751 -6.6895  3.4220  18.013  8.6074 13.170  6.4403 4.842625       10.75016 
1 1 1 22 27 25 o 19.253  6.0882 2.9419   3.1030  20.986  9.5763 17.520  7.5205 3.466082       12.17637 
1 1 1 22 28 0  o 148.464 2.5682 221.577  7.6207  148.464 2.5682 ?       ?      0.000000       0.000000 
1 1 1 22 28 2  o 121.498 2.0689 149.347  3.5447  120.920 3.0556 122.077 2.7902 -1.157196      4.137898 
1 1 1 22 28 4  o 54.322  4.0710 30.887   3.1175  51.825  6.0156 56.820  5.4867 -4.995037      8.141927 
1 1 1 22 28 6  o 32.038  5.4507 11.466   2.4704  26.879  8.0028 37.197  7.4023 -10.31803      10.90135 
1 1 1 22 28 8  o 19.400  5.7765 1.0535   2.7854  21.053  8.3332 17.747  8.0020 3.306564       11.55309 
1 1 1 22 28 10 o 41.916  5.0319 19.384   2.9152  39.986  7.4959 43.847  6.7151 -3.860779      10.06386 
1 1 1 22 28 12 f 41.117  5.3396 19.065   3.0307  43.195  6.9500 39.040  8.1081 4.155449       10.67913 
1 1 1 22 28 14 o 37.953  5.7105 16.915   2.9729  37.973  8.1411 37.934  8.0102 0.3931046E-01  11.42106 
1 1 1 22 28 16 f 51.429  4.0459 28.900   2.9160  49.406  5.3752 53.452  6.0485 -4.045322      8.091782 
1 1 1 22 28 18 o 25.565  5.7958 7.2766   2.8681  32.668  8.1476 18.462  8.2451 14.20652       11.59163 
1 1 1 22 28 20 o 20.263  5.9325 3.6083   2.8577  21.618  8.3900 18.907  8.3895 2.710829       11.86491 
1 1 1 22 28 22 o 16.930  5.4239 -0.7607  2.9036  18.187  7.8442 15.673  7.4928 2.513556       10.84774 
1 1 1 22 28 24 o 20.073  6.4689 2.1475   3.7522  23.153  10.313 16.993  7.8116 6.160217       12.93784 
1 1 1 22 29 1  o 51.980  4.1310 28.708   3.0307  53.510  5.6103 50.451  6.0650 3.059242       8.261938 
1 1 1 22 29 3  o 63.810  3.4863 42.496   3.1440  65.224  4.9568 62.395  4.9040 2.829498       6.972678 
1 1 1 22 29 5  o 37.797  5.4822 16.369   2.8242  38.984  7.2316 36.610  8.2414 2.373730       10.96432 
1 1 1 22 29 7  o 44.512  4.9077 21.709   3.0884  44.213  7.0512 44.811  6.8282 -0.5982857     9.815456 
1 1 1 22 29 9  o 47.838  4.7103 25.127   3.1250  49.823  5.7937 45.854  7.4284 3.969402       9.420676 
1 1 1 22 29 11 o 71.974  2.8959 54.010   2.9432  69.026  4.1819 74.922  4.0069 -5.895828      5.791728 
1 1 1 22 29 13 o 46.695  5.1658 26.394   3.0280  53.733  4.9423 39.657  9.0728 14.07613       10.33162 
1 1 1 22 29 15 o 29.321  6.7787 11.449   3.2237  28.581  9.3262 30.061  9.8399 -1.480188      13.55736 
1 1 1 22 29 17 o 21.727  6.1414 5.2134   2.8435  20.166  8.2591 23.289  9.0915 -3.122488      12.28283 
1 1 1 22 29 19 o 24.106  6.3426 7.5052   2.8577  22.808  8.5026 25.403  9.4139 -2.594957      12.68522 
1 1 1 22 29 21 o 18.196  5.5945 2.1337   2.7699  20.139  8.3145 16.252  7.4876 3.887323       11.18902 
1 1 1 22 30 0  o 53.220  6.6344 30.021   7.1588  53.220  6.6344 ?       ?      0.000000       0.000000 
1 1 1 22 30 2  o 71.705  2.9721 53.633   3.0021  68.042  4.4121 75.368  3.9832 -7.326752      5.944139 
1 1 1 22 30 4  o 44.816  4.8479 22.710   2.9662  42.461  7.6186 47.171  5.9971 -4.710579      9.695783 
1 1 1 22 30 6  o 36.755  5.6864 16.434   2.9976  45.230  6.8927 28.279  9.0461 16.95049       11.37279 
1 1 1 22 30 8  o 17.568  5.4585 -0.1828  2.7519  19.375  8.0247 15.760  7.4016 3.615638       10.91692 
1 1 1 22 30 10 o 36.010  5.8439 16.135   2.9015  37.054  7.5845 34.966  8.8927 2.087646       11.68779 
1 1 1 22 30 12 o 63.447  3.4810 43.445   3.1133  62.626  5.1624 64.268  4.6712 -1.641472      6.962067 
1 1 1 22 30 14 o 66.719  3.4914 48.334   3.2543  64.983  4.5310 68.455  5.3132 -3.472107      6.982807 
1 1 1 22 30 16 o 47.791  5.4167 28.013   3.5315  49.065  6.7069 46.517  8.5077 2.547592       10.83345 
1 1 1 22 30 18 o 30.843  6.5135 14.240   3.0424  29.211  8.8901 32.475  9.5221 -3.264185      13.02708 
1 1 1 22 31 1  o 26.035  6.9033 8.6007   3.4348  26.217  9.8090 25.853  9.7162 0.3637924      13.80661 
1 1 1 22 31 3  o 29.510  6.6627 11.512   3.1440  31.001  9.5179 28.019  9.3262 2.981281       13.32549 
1 1 1 22 31 5  o 29.463  5.7240 10.807   2.9505  20.512  8.7965 38.414  7.3265 -17.90219      11.44794 
1 1 1 22 31 7  o 28.938  6.4454 11.074   3.0587  33.392  9.0929 24.485  9.1375 8.907272       12.89086 
1 1 1 22 31 9  f 26.969  6.2337 8.8563   3.2897  35.051  9.1329 18.886  8.4869 16.16467       12.46744 
1 1 1 22 31 11 o 26.578  6.5505 9.6089   2.9977  24.493  8.7437 28.663  9.7562 -4.169752      13.10096 
1 1 1 22 31 13 o 43.392  4.9206 22.017   2.9515  39.575  6.4188 47.210  7.4597 -7.634811      9.841103 
1 1 1 22 31 15 o 55.489  3.9645 34.976   3.0309  51.599  5.0349 59.378  6.1254 -7.778812      7.929075 
1 1 1 22 32 0  o 56.680  6.1358 35.448   6.8124  56.680  6.1358 ?       ?      0.000000       0.000000 
1 1 1 22 32 2  o 42.889  5.4140 22.726   3.1658  40.015  8.6146 45.763  6.5601 -5.747715      10.82808 
1 1 1 22 32 4  o 31.729  5.7948 13.266   2.9152  22.678  8.8351 40.780  7.5008 -18.10229      11.58970 
1 1 1 22 32 6  o 25.250  6.6939 8.5454   3.2867  23.519  9.4575 26.981  9.4759 -3.461870      13.38789 
1 1 1 22 32 8  o 21.285  6.3536 3.2122   3.5132  16.649  7.8189 25.920  10.017 -9.270798      12.70713 
1 1 1 22 32 10 o 24.616  6.6394 8.9226   3.3445  20.735  8.8411 28.496  9.9078 -7.760809      13.27890 
1 1 1 22 32 12 f 20.257  6.1869 3.9943   3.2616  19.381  8.5776 21.132  8.9184 -1.751387      12.37385 
1 1 1 22 33 1  o 33.487  6.3764 16.399   3.0863  33.960  8.7783 33.014  9.2507 0.9467583      12.75282 
1 1 1 22 33 3  o 21.181  6.3683 3.8649   3.6658  25.671  9.9346 16.692  7.9702 8.979597       12.73653 
1 1 1 22 33 5  o 20.319  6.1963 3.5439   3.3771  23.263  9.4148 17.375  8.0585 5.888567       12.39267 
1 1 1 22 33 7  o 26.935  6.7891 10.842   3.2816  24.460  9.2683 29.410  9.9230 -4.950064      13.57815 
1 1 1 23 1  0  o 412.151 4.0491 1700.33  33.369  412.151 4.0491 ?       ?      0.000000       0.000000 
1 1 1 23 1  2  o 254.485 2.2498 646.905  8.0231  251.362 2.9399 257.609 3.4064 -6.247192      4.499640 
1 1 1 23 1  4  o 51.931  3.0359 26.760   1.9952  51.063  3.0526 52.799  5.2485 -1.735680      6.071708 
1 1 1 23 1  6  o 96.652  1.9405 94.786   2.4754  99.919  2.0800 93.385  3.2765 6.533997       3.881025 
1 1 1 23 1  8  o 117.964 1.8149 138.921  2.8496  117.294 2.0180 118.634 3.0172 -1.339966      3.629860 
1 1 1 23 1  10 o 62.010  2.3592 38.658   1.9398  62.631  2.5810 61.389  3.9499 1.242298       4.718357 
1 1 1 23 1  12 o 117.407 2.1367 137.042  3.2474  115.744 2.2446 119.070 3.6364 -3.326332      4.273386 
1 1 1 23 1  14 o 138.267 2.8043 189.570  3.9610  136.773 1.9839 139.762 5.2461 -2.988693      5.608658 
1 1 1 23 1  16 o 66.666  2.2045 44.319   1.8870  66.127  2.2699 67.205  3.7798 -1.078644      4.409024 
1 1 1 23 1  18 o 114.963 1.8878 127.671  2.8463  106.009 2.1239 123.916 3.1215 -17.90739      3.775568 
1 1 1 23 1  20 o 133.024 2.0509 177.431  3.7229  133.533 2.4211 132.515 3.3111 1.017517       4.101827 
1 1 1 23 1  22 o 73.759  2.4885 54.267   2.5774  70.688  3.3486 76.830  3.6820 -6.141716      4.976955 
1 1 1 23 1  24 o 27.266  5.6987 7.4189   2.3538  22.823  7.6863 31.709  8.4157 -8.886028      11.39748 
1 1 1 23 1  26 o 31.071  5.9099 10.219   2.6557  31.980  8.2516 30.161  8.4628 1.818680       11.81985 
1 1 1 23 1  28 o 48.594  4.2393 24.097   2.8577  49.506  5.2478 47.681  6.6593 1.824226       8.478574 
1 1 1 23 1  30 f 69.551  2.6699 48.522   2.6113  64.452  3.7621 74.649  3.7896 -10.19625      5.339880 
1 1 1 23 1  32 o 23.006  5.9461 3.0021   2.9160  17.984  8.1816 28.028  8.6307 -10.04350      11.89230 
1 1 1 23 1  34 o 30.148  6.3592 9.6200   2.5524  31.606  5.6871 28.690  11.376 2.915516       12.71840 
1 1 1 23 1  36 o 39.951  4.3147 16.955   2.2779  40.413  4.8571 39.489  7.1326 0.9239082      8.629320 
1 1 1 23 1  38 o 20.063  5.3301 2.9595   2.1695  15.201  6.6870 24.926  8.3021 -9.724133      10.66027 
1 1 1 23 1  40 o 22.402  6.1012 5.3691   2.5005  20.603  7.3294 24.201  9.7559 -3.598293      12.20236 
1 1 1 23 1  42 o 16.890  5.2107 0.1205   2.5302  18.528  7.4137 15.253  7.3241 3.275255       10.42139 
1 1 1 23 2  1  o 88.944  1.8619 79.089   2.3349  94.265  2.5723 83.624  2.6925 10.64117       3.723730 
1 1 1 23 2  3  o 219.876 1.9371 477.630  5.8243  229.015 3.0755 210.736 2.3560 18.27899       3.874200 
1 1 1 23 2  5  o 194.964 2.0812 378.199  5.2572  192.660 2.1875 197.269 3.5412 -4.608902      4.162334 
1 1 1 23 2  7  o 212.395 1.9671 450.383  5.5607  211.176 2.1871 213.615 3.2702 -2.439285      3.934134 
1 1 1 23 2  9  o 312.381 2.3452 975.208  9.9833  310.594 2.7696 314.169 3.7855 -3.575195      4.690469 
1 1 1 23 2  11 o 240.027 2.5396 582.096  7.7486  244.080 2.5309 235.974 4.4038 8.106644       5.079250 
1 1 1 23 2  13 o 309.425 2.2992 958.688  9.8405  309.455 2.8357 309.394 3.6200 0.6063843E-01  4.598452 
1 1 1 23 2  15 o 147.210 1.8263 218.103  3.6958  150.228 2.1905 144.192 2.9228 6.036194       3.652555 
1 1 1 23 2  17 o 196.282 1.9126 386.402  5.1623  197.648 2.3076 194.915 3.0508 2.732788       3.825188 
1 1 1 23 2  19 f 154.066 1.8274 236.971  3.8786  152.424 2.2347 155.708 2.8920 -3.283295      3.654813 
1 1 1 23 2  21 o 44.251  4.0538 19.504   2.3574  33.462  6.2702 55.040  5.1397 -21.57727      8.107565 
1 1 1 23 2  23 o 97.593  2.3314 95.189   2.9809  96.861  2.5033 98.325  3.9339 -1.464470      4.662894 
1 1 1 23 2  25 o 148.380 1.8706 220.424  3.9224  145.101 2.6260 151.659 2.6647 -6.558228      3.741179 
1 1 1 23 2  27 o 77.577  2.4460 60.131   2.6594  80.406  3.6619 74.749  3.2439 5.656418       4.892028 
1 1 1 23 2  29 o 20.742  5.5850 2.2260   2.4811  16.793  7.4729 24.691  8.3022 -7.897806      11.17003 
1 1 1 23 2  31 o 51.066  3.6814 27.078   2.5143  47.836  6.1551 54.296  4.0405 -6.460579      7.362838 
1 1 1 23 2  33 o 74.261  3.2183 56.089   3.3771  76.349  4.4613 72.172  4.6395 4.176804       6.436537 
1 1 1 23 2  35 o 62.660  3.2106 41.153   2.5906  65.973  3.2378 59.346  5.5450 6.627426       6.421115 
1 1 1 23 2  37 o 28.520  5.7693 9.3956   2.4489  29.903  7.3734 27.138  8.8754 2.764692       11.53858 
1 1 1 23 2  39 o 48.487  4.4522 26.047   2.7530  48.955  4.4814 48.019  7.6945 0.9350433      8.904392 
1 1 1 23 2  41 o 19.543  5.9022 2.9006   2.7525  17.181  7.4028 21.905  9.1948 -4.723913      11.80449 
1 1 1 23 2  43 o 16.389  5.8905 -7.8156  3.7983  12.557  6.1191 20.220  10.067 -7.662814      11.78098 
1 1 1 23 3  0  o 197.485 2.3980 390.270  9.4681  197.485 2.3980 ?       ?      0.000000       0.000000 
1 1 1 23 3  2  o 472.162 3.1130 2233.23  20.783  477.717 4.3627 466.607 4.4418 11.11017       6.225990 
1 1 1 23 3  4  o 417.498 2.9962 1744.43  17.505  419.364 4.5705 415.633 3.8754 3.731079       5.992347 
1 1 1 23 3  6  o 367.853 2.6583 1354.26  13.809  364.897 3.6548 370.810 3.8612 -5.913757      5.316579 
1 1 1 23 3  8  o 331.246 2.7129 1094.83  11.811  328.526 2.9347 333.965 4.5637 -5.439484      5.425892 
1 1 1 23 3  10 o 208.252 2.0058 435.297  5.7971  210.811 2.4921 205.694 3.1435 5.117310       4.011522 
1 1 1 23 3  12 o 251.525 2.1851 634.586  7.6930  254.452 2.8134 248.600 3.3441 5.851913       4.370178 
1 1 1 23 3  14 o 227.579 2.1354 522.086  6.6121  232.530 2.4828 222.628 3.4749 9.901505       4.270740 
1 1 1 23 3  16 o 207.571 1.8272 433.355  5.2605  212.180 2.2584 202.962 2.8729 9.217804       3.654304 
1 1 1 23 3  18 o 149.204 1.9144 223.208  3.8823  149.872 2.2342 148.537 3.1094 1.335373       3.828845 
1 1 1 23 3  20 f 77.644  2.6253 59.984   2.8577  73.576  3.5310 81.712  3.8859 -8.136383      5.250543 
1 1 1 23 3  22 o 163.361 1.7618 267.296  4.0699  163.536 2.5065 163.186 2.4765 0.3496552      3.523546 
1 1 1 23 3  24 o 94.699  2.1555 89.739   2.8762  96.513  3.1704 92.885  2.9213 3.628105       4.311044 
1 1 1 23 3  26 o 72.485  2.4505 52.774   2.5110  72.083  3.5240 72.887  3.4059 -0.8035965     4.900928 
1 1 1 23 3  28 o 70.661  2.8101 50.418   2.7973  68.928  4.1879 72.393  3.7482 -3.465073      5.620228 
1 1 1 23 3  30 o 85.767  2.2488 74.258   2.7024  84.015  3.4358 87.519  2.9025 -3.504044      4.497691 
1 1 1 23 3  32 o 110.431 2.1072 122.396  3.2745  112.969 3.1174 107.892 2.8360 5.076622       4.214365 
1 1 1 23 3  34 o 61.720  3.2265 37.949   2.6426  58.153  3.6733 65.288  5.3056 -7.135654      6.453081 
1 1 1 23 3  36 o 89.579  2.4864 82.159   3.0107  91.467  2.8403 87.692  4.0818 3.775009       4.972771 
1 1 1 23 3  38 o 48.794  3.7353 25.047   2.5532  43.632  5.4250 53.955  5.1360 -10.32319      7.470539 
1 1 1 23 3  40 o 25.235  5.4208 7.1055   2.6011  32.752  7.4007 17.717  7.9226 15.03535       10.84153 
1 1 1 23 3  42 o 26.087  5.2258 8.8827   2.4489  33.846  6.7207 18.328  8.0044 15.51800       10.45166 
1 1 1 23 4  1  o 88.206  1.7794 77.256   2.2043  82.516  2.4488 93.896  2.5824 -11.37978      3.558833 
1 1 1 23 4  3  o 140.122 1.5408 193.863  3.0064  149.322 2.3198 130.921 2.0285 18.40146       3.081564 
1 1 1 23 4  5  o 144.543 1.7503 208.158  3.5561  149.350 2.5899 139.737 2.3550 9.612411       3.500512 
1 1 1 23 4  7  o 87.445  1.8692 76.501   2.3078  91.272  2.5934 83.617  2.6927 7.655289       3.738472 
1 1 1 23 4  9  o 57.183  2.7116 32.683   2.1878  55.371  3.7535 58.994  3.9144 -3.623474      5.423264 
1 1 1 23 4  11 o 100.688 2.1348 102.077  2.9621  102.966 2.5792 98.410  3.4026 4.556412       4.269624 
1 1 1 23 4  13 o 136.745 1.7307 189.776  3.1880  142.397 1.9461 131.093 2.8626 11.30389       3.461419 
1 1 1 23 4  15 o 237.275 1.9855 567.069  6.4141  241.949 2.3145 232.600 3.2267 9.349518       3.970949 
1 1 1 23 4  17 o 117.257 1.6362 137.558  2.7122  118.782 2.3330 115.733 2.2947 3.048340       3.272349 
1 1 1 23 4  19 o 200.875 1.7695 404.181  5.0201  202.719 2.4207 199.030 2.5816 3.689514       3.539000 
1 1 1 23 4  21 o 89.041  2.1712 79.921   2.7122  83.947  3.3011 94.135  2.8211 -10.18839      4.342334 
1 1 1 23 4  23 o 54.781  3.2416 30.191   2.5110  54.522  4.5532 55.041  4.6152 -0.5192337     6.483180 
1 1 1 23 4  25 o 95.964  2.0493 92.550   2.7663  93.728  3.0798 98.200  2.7044 -4.471909      4.098619 
1 1 1 23 4  27 o 95.797  1.9447 91.883   2.6011  96.821  2.9814 94.773  2.4976 2.047478       3.889300 
1 1 1 23 4  29 o 39.521  4.8026 16.270   2.6265  40.978  6.4808 38.064  7.0895 2.913689       9.605288 
1 1 1 23 4  31 o 15.432  5.0530 -3.9771  2.5659  16.829  7.6760 14.035  6.5735 2.793913       10.10610 
1 1 1 23 4  33 o 93.065  2.2990 88.363   2.9393  89.034  3.6961 97.095  2.7351 -8.061600      4.598022 
1 1 1 23 4  35 o 47.241  4.1764 22.958   2.6509  45.254  4.8478 49.227  6.8021 -3.972885      8.352801 
1 1 1 23 4  37 o 20.153  5.7448 2.3251   2.6083  21.428  7.7471 18.878  8.4848 2.549778       11.48950 
1 1 1 23 4  39 o 36.213  5.5238 17.362   2.7469  45.887  4.9068 26.538  9.8981 19.34855       11.04761 
1 1 1 23 4  41 o 17.915  5.5927 1.2409   2.6545  16.245  7.1539 19.584  8.5986 -3.339001      11.18542 
1 1 1 23 5  0  o 285.495 2.9126 815.642  16.627  285.495 2.9126 ?       ?      0.000000       0.000000 
1 1 1 23 5  2  o 166.622 1.6655 277.259  3.9182  160.926 2.3319 172.318 2.3787 -11.39189      3.331065 
1 1 1 23 5  4  o 316.884 2.3331 1004.79  10.429  315.314 3.1675 318.454 3.4264 -3.140717      4.666183 
1 1 1 23 5  6  o 241.843 1.9338 585.385  6.6042  242.100 2.6470 241.586 2.8199 0.5130920      3.867564 
1 1 1 23 5  8  o 88.132  1.9995 77.517   2.4489  89.334  3.1020 86.931  2.5237 2.403435       3.998913 
1 1 1 23 5  10 o 144.266 1.8102 206.335  3.4575  141.052 2.0056 147.481 3.0142 -6.429504      3.620457 
1 1 1 23 5  12 o 160.368 1.8005 256.317  4.0110  163.376 2.7916 157.360 2.2747 6.015884       3.601009 
1 1 1 23 5  14 o 117.076 1.8126 135.568  2.8496  120.776 2.9637 113.376 2.0878 7.399162       3.625207 
1 1 1 23 5  16 o 180.084 1.7909 324.629  4.5609  181.062 2.5189 179.106 2.5465 1.955566       3.581834 
1 1 1 23 5  18 o 159.057 1.7064 252.914  3.8338  163.968 2.4294 154.145 2.3970 9.823624       3.412899 
1 1 1 23 5  20 o 66.538  2.3311 44.358   2.1923  67.618  3.3298 65.458  3.2633 2.160355       4.662267 
1 1 1 23 5  22 o 26.953  5.3957 7.3372   2.2043  31.877  7.6851 22.029  7.5760 9.847973       10.79150 
1 1 1 23 5  24 o 58.481  2.7923 34.338   2.3078  58.919  4.0174 58.043  3.8791 0.8757591      5.584583 
1 1 1 23 5  26 o 18.910  5.4910 0.5909   2.4506  21.972  8.3542 15.849  7.1281 6.122404       10.98191 
1 1 1 23 5  28 o 79.547  2.4109 62.837   2.6532  83.756  3.7222 75.338  3.0652 8.418495       4.821840 
1 1 1 23 5  30 o 30.913  5.3406 10.334   2.3670  35.651  6.8852 26.175  8.1660 9.475826       10.68129 
1 1 1 23 5  32 o 32.767  5.3019 11.916   2.5428  25.126  8.9319 40.407  5.7150 -15.28134      10.60383 
1 1 1 23 5  34 o 17.863  5.4456 -0.1847  2.4940  17.995  7.3275 17.731  8.0576 0.2642021      10.89117 
1 1 1 23 5  36 o 33.880  6.0733 13.088   2.9036  29.379  8.4115 38.382  8.7629 -9.003305      12.14668 
1 1 1 23 5  38 o 32.888  5.8966 12.496   2.7334  25.632  8.0797 40.145  8.5905 -14.51302      11.79313 
1 1 1 23 5  40 o 18.640  5.6841 1.9021   2.7177  18.581  7.8270 18.699  8.2447 -0.1175499     11.36827 
1 1 1 23 5  42 o 21.378  6.1995 5.9431   2.9921  21.259  8.5898 21.496  8.9416 -0.2373409     12.39906 
1 1 1 23 6  1  o 125.690 1.4464 158.080  2.5688  129.456 2.0068 121.924 2.0834 7.531731       2.892764 
1 1 1 23 6  3  o 75.755  1.8932 57.546   2.0140  76.939  2.4762 74.570  2.8645 2.368797       3.786443 
1 1 1 23 6  5  o 124.963 1.6178 156.263  2.8575  121.961 2.3195 127.965 2.2558 -6.004456      3.235526 
1 1 1 23 6  7  o 146.394 1.6809 214.711  3.4399  147.369 2.1546 145.419 2.5805 1.949753       3.361795 
1 1 1 23 6  9  o 208.539 2.0511 436.069  6.0218  211.857 2.7251 205.221 3.0664 6.636200       4.102252 
1 1 1 23 6  11 o 242.530 2.3554 583.393  7.1580  246.555 4.0977 238.506 2.3238 8.049088       4.710761 
1 1 1 23 6  13 o 14.405  4.6428 -2.5897  1.9151  17.820  7.6767 10.991  5.2240 6.829276       9.285603 
1 1 1 23 6  15 o 155.264 1.9256 241.730  4.2018  153.191 2.9019 157.337 2.5318 -4.146103      3.851106 
1 1 1 23 6  17 o 133.538 1.7885 180.370  3.2772  128.312 2.8796 138.764 2.1218 -10.45242      3.576905 
1 1 1 23 6  19 o 267.069 2.2306 715.569  8.3714  264.518 3.3611 269.619 2.9335 -5.100494      4.461237 
1 1 1 23 6  21 f 205.193 1.8207 420.698  5.2558  209.514 2.7004 200.871 2.4430 8.643082       3.641484 
1 1 1 23 6  23 o 71.052  2.6435 50.689   2.6557  70.239  3.7809 71.864  3.6954 -1.625069      5.286903 
1 1 1 23 6  25 o 61.725  2.7772 38.186   2.4124  60.065  3.7485 63.385  4.0987 -3.319473      5.554351 
1 1 1 23 6  27 o 23.285  6.0841 4.5106   2.6544  23.001  8.6665 23.569  8.5414 -0.5686359     12.16820 
1 1 1 23 6  29 o 17.447  5.4441 -1.1382  2.5732  18.375  8.1549 16.519  7.2147 1.856524       10.88823 
1 1 1 23 6  31 o 22.603  6.0938 3.7767   2.7519  21.338  8.7672 23.868  8.4661 -2.529919      12.18760 
1 1 1 23 6  33 o 74.302  2.7600 55.610   2.8127  76.480  4.3783 72.125  3.3619 4.354286       5.520086 
1 1 1 23 6  35 f 30.762  5.4399 10.521   2.3544  28.792  7.5331 32.732  7.8500 -3.940065      10.87985 
1 1 1 23 6  37 o 22.278  6.1366 3.6256   3.0175  18.789  8.3937 25.766  8.9541 -6.977493      12.27312 
1 1 1 23 6  39 o 27.814  5.6641 9.3397   2.5610  20.631  8.0852 34.998  7.9346 -14.36681      11.32821 
1 1 1 23 6  41 o 18.727  5.6315 2.3232   2.6011  16.325  7.2435 21.129  8.6249 -4.804012      11.26305 
1 1 1 23 7  0  o 165.107 2.3088 272.843  7.6207  165.107 2.3088 ?       ?      0.000000       0.000000 
1 1 1 23 7  2  o 190.351 1.7184 362.974  4.6157  193.508 2.3271 187.193 2.5290 6.314850       3.436717 
1 1 1 23 7  4  o 300.941 2.1704 906.686  9.2372  300.797 3.0709 301.085 3.0680 -0.2877502     4.340827 
1 1 1 23 7  6  o 199.579 1.7591 398.425  4.9623  204.391 2.4856 194.766 2.4899 9.625198       3.518254 
1 1 1 23 7  8  o 47.853  2.8029 23.111   1.8652  46.035  4.3893 49.670  3.4870 -3.634037      5.605794 
1 1 1 23 7  10 o 108.394 1.8207 115.190  2.6256  113.806 2.9930 102.982 2.0742 10.82383       3.641487 
1 1 1 23 7  12 o 181.081 1.7965 326.614  4.2633  183.019 3.0283 179.144 1.9336 3.874878       3.592947 
1 1 1 23 7  14 o 190.669 2.3379 363.188  6.1521  192.566 3.6876 188.772 2.8748 3.793900       4.675792 
1 1 1 23 7  16 o 75.965  2.5375 59.210   2.2831  73.220  4.5731 78.710  2.2004 -5.489494      5.074995 
1 1 1 23 7  18 o 57.943  3.4562 36.766   2.2556  50.658  6.3821 65.229  2.6552 -14.57160      6.912394 
1 1 1 23 7  20 o 54.048  3.1681 27.959   2.2268  59.523  5.2376 48.573  3.5657 10.94959       6.336131 
1 1 1 23 7  22 f 90.252  2.2422 81.579   2.6688  90.485  3.7644 90.018  2.4371 0.4669952      4.484420 
1 1 1 23 7  24 f 162.314 1.9580 264.588  4.4517  160.277 2.9897 164.351 2.5292 -4.073593      3.915985 
1 1 1 23 7  26 o 149.882 1.8535 225.395  3.9224  149.118 2.7101 150.647 2.5293 -1.528748      3.707041 
1 1 1 23 7  28 o 94.100  2.1260 89.023   2.8289  93.241  3.0339 94.959  2.9791 -1.717865      4.252017 
1 1 1 23 7  30 o 82.174  2.2358 67.942   2.5967  81.939  3.1001 82.408  3.2226 -0.4688187     4.471679 
1 1 1 23 7  32 o 90.189  2.4811 82.373   3.1250  89.023  3.8262 91.355  3.1598 -2.332230      4.962267 
1 1 1 23 7  34 o 31.913  6.4858 11.669   3.0884  32.985  9.0200 30.841  9.3220 2.144199       12.97152 
1 1 1 23 7  36 o 44.679  5.2794 24.536   2.8512  56.591  4.3867 32.768  9.6045 23.82375       10.55883 
1 1 1 23 7  38 o 19.543  5.5851 1.9737   2.6737  22.379  7.9673 16.708  7.8292 5.671579       11.17017 
1 1 1 23 7  40 o 19.499  5.7460 3.0356   2.6842  17.417  7.7073 21.581  8.5244 -4.163788      11.49210 
1 1 1 23 7  42 o 26.448  6.6925 10.265   3.4735  21.806  9.4168 31.090  9.5124 -9.283260      13.38509 
1 1 1 23 8  1  o 43.608  3.2234 19.249   1.9612  40.428  4.9981 46.789  4.0718 -6.361267      6.446799 
1 1 1 23 8  3  o 77.179  1.8007 60.319   1.9233  72.761  2.8564 81.597  2.1933 -8.836243      3.601372 
1 1 1 23 8  5  o 143.021 1.6643 205.808  3.2631  140.243 2.6758 145.800 1.9799 -5.556839      3.328611 
1 1 1 23 8  7  o 142.379 1.7323 203.911  3.3650  139.952 2.8051 144.807 2.0333 -4.855133      3.464525 
1 1 1 23 8  9  o 224.831 2.0035 505.896  6.3080  225.158 3.0512 224.504 2.5973 0.6547699      4.006986 
1 1 1 23 8  11 o 248.062 2.0507 614.750  6.9699  249.936 3.2800 246.189 2.4623 3.746597       4.101403 
1 1 1 23 8  13 o 53.145  3.4414 27.522   2.3975  56.519  5.7202 49.770  3.8279 6.748459       6.882868 
1 1 1 23 8  15 o 69.554  2.2849 47.700   2.1983  74.058  3.5080 65.049  2.9288 9.009254       4.569895 
1 1 1 23 8  17 o 104.778 1.8732 108.858  2.7122  108.808 2.9182 100.749 2.3494 8.059250       3.746459 
1 1 1 23 8  19 o 80.741  2.5962 67.599   2.6688  75.253  4.5263 86.228  2.5442 -10.97484      5.192359 
1 1 1 23 8  21 o 85.811  2.6246 70.616   2.6352  91.204  4.6842 80.418  2.3691 10.78585       5.249253 
1 1 1 23 8  23 o 119.582 2.1710 142.487  3.2630  120.848 3.7741 118.317 2.1470 2.530876       4.342000 
1 1 1 23 8  25 o 57.780  3.3468 34.239   2.4132  55.954  5.8812 59.607  3.1962 -3.652962      6.693597 
1 1 1 23 8  27 o 59.311  3.5332 35.172   2.5775  60.438  6.2090 58.183  3.3737 2.255844       7.066319 
1 1 1 23 8  29 o 70.132  3.1220 50.510   2.5529  68.428  5.6528 71.837  2.6521 -3.409790      6.243985 
1 1 1 23 8  31 o 74.656  2.9504 55.863   2.7179  75.797  5.1794 73.516  2.8271 2.280640       5.900702 
1 1 1 23 8  33 o 71.860  3.8799 51.437   3.4881  75.795  6.7029 67.925  3.9097 7.869583       7.759788 
1 1 1 23 8  35 o 17.333  5.5107 -2.3266  2.8762  14.708  6.9449 19.957  8.5581 -5.249203      11.02148 
1 1 1 23 8  37 o 69.623  3.1801 50.899   3.0431  71.243  3.8087 68.003  5.0938 3.240532       6.360264 
1 1 1 23 8  39 o 23.435  6.3514 6.4558   2.9036  21.569  8.3861 25.302  9.5414 -3.733503      12.70289 
1 1 1 23 8  41 o 18.072  5.6271 1.7137   2.8809  19.302  8.0622 16.841  7.8523 2.461283       11.25424 
1 1 1 23 9  0  o 83.282  2.7797 69.625   4.6186  83.282  2.7797 ?       ?      0.000000       0.000000 
1 1 1 23 9  2  o 20.839  4.6101 2.5089   1.9942  13.880  6.4991 27.798  6.5401 -13.91809      9.220122 
1 1 1 23 9  4  o 77.802  2.1694 61.690   2.1485  75.074  3.7681 80.531  2.1507 -5.457748      4.338702 
1 1 1 23 9  6  o 145.106 1.7287 210.218  3.3666  146.001 2.8471 144.211 1.9616 1.790161       3.457418 
1 1 1 23 9  8  o 279.579 2.1487 781.498  8.2707  281.069 3.4097 278.090 2.6158 2.979828       4.297479 
1 1 1 23 9  10 o 316.187 2.5436 992.650  10.830  323.938 4.1525 308.437 2.9387 15.50116       5.087179 
1 1 1 23 9  12 o 152.525 1.9948 232.988  4.3009  154.400 2.7670 150.650 2.8742 3.749664       3.989595 
1 1 1 23 9  14 o 67.305  2.2021 45.585   1.8870  66.678  3.8097 67.932  2.2096 -1.254074      4.404113 
1 1 1 23 9  16 o 116.136 1.8873 135.908  2.9317  114.171 3.1351 118.102 2.1020 -3.931175      3.774568 
1 1 1 23 9  18 o 133.465 1.8667 179.852  3.4024  129.823 3.0240 137.107 2.1896 -7.283676      3.733452 
1 1 1 23 9  20 o 89.520  2.2889 79.487   2.6298  91.419  3.9154 87.621  2.3720 3.797523       4.577827 
1 1 1 23 9  22 o 98.179  1.9418 97.216   2.6105  95.919  3.1298 100.440 2.2992 -4.521484      3.883549 
1 1 1 23 9  24 o 47.915  5.2727 29.268   2.4236  35.146  10.125 60.683  2.9493 -25.53669      10.54542 
1 1 1 23 9  26 f 197.102 2.0424 389.836  5.3197  197.312 3.4234 196.893 2.2284 0.4188843      4.084768 
1 1 1 23 9  28 o 127.803 2.0579 164.851  3.4141  126.632 3.5105 128.974 2.1486 -2.342247      4.115819 
1 1 1 23 9  30 o 45.359  4.9433 20.666   2.4915  47.334  8.9848 43.383  4.1254 3.951794       9.886606 
1 1 1 23 9  32 o 39.284  4.4232 15.116   2.2892  44.919  7.0689 33.649  5.3188 11.26987       8.846413 
1 1 1 23 9  34 o 22.766  6.0602 3.3672   2.8856  20.187  9.2328 25.346  7.8524 -5.158937      12.12042 
1 1 1 23 9  36 o 41.458  4.3748 18.304   2.5298  43.848  6.5833 39.067  5.7633 4.780144       8.749557 
1 1 1 23 9  38 o 18.032  5.2553 1.2379   2.3737  15.888  7.4508 20.176  7.4133 -4.288281      10.51058 
1 1 1 23 9  40 o 29.525  5.6840 11.085   2.3555  30.150  9.0486 28.899  6.8815 1.251307       11.36803 
1 1 1 23 10 1  o 64.861  2.3949 43.633   1.9998  59.860  4.1471 69.862  2.3965 -10.00140      4.789781 
1 1 1 23 10 3  o 236.397 2.0165 556.668  6.2825  239.019 3.3815 233.775 2.1979 5.244003       4.033074 
1 1 1 23 10 5  o 117.130 1.7528 136.402  2.7292  119.008 2.9107 115.252 1.9536 3.755287       3.505508 
1 1 1 23 10 7  o 69.539  2.0285 48.232   1.9713  70.983  3.0906 68.095  2.6283 2.888390       4.057066 
1 1 1 23 10 9  o 228.488 1.9895 520.070  6.3063  233.432 3.0915 223.544 2.5051 9.887085       3.979064 
1 1 1 23 10 11 o 172.522 1.8564 296.372  4.3176  175.032 3.0345 170.011 2.1393 5.020889       3.712822 
1 1 1 23 10 13 o 139.423 1.7464 193.921  3.3084  140.868 2.8278 137.977 2.0503 2.890930       3.492880 
1 1 1 23 10 15 o 109.321 1.9110 119.317  2.6452  109.890 3.3098 108.752 1.9111 1.137917       3.821923 
1 1 1 23 10 17 o 64.430  2.6638 40.820   2.2425  67.197  4.4676 61.663  2.9024 5.533115       5.327599 
1 1 1 23 10 19 f 91.235  2.1677 84.756   2.6348  87.463  3.6304 95.008  2.3699 -7.544907      4.335469 
1 1 1 23 10 21 o 100.695 2.0311 104.142  2.6737  94.864  3.4689 106.525 2.1136 -11.66112      4.062115 
1 1 1 23 10 23 o 83.324  2.4611 69.919   2.6140  82.818  4.2523 83.829  2.4793 -1.011238      4.922290 
1 1 1 23 10 25 o 118.157 2.2209 141.820  3.3969  115.277 3.8062 121.036 2.2895 -5.759384      4.441734 
1 1 1 23 10 27 o 148.342 1.9481 220.874  3.7693  148.535 3.3038 148.149 2.0654 0.3860168      3.896218 
1 1 1 23 10 29 o 117.620 2.1609 137.385  3.1166  119.914 3.8034 115.325 2.0525 4.588684       4.321896 
1 1 1 23 10 31 o 94.894  2.4593 89.141   2.7963  97.777  4.3693 92.011  2.2588 5.766251       4.918661 
1 1 1 23 10 33 o 46.741  4.5465 23.913   2.5365  43.398  8.1490 50.084  4.0345 -6.686092      9.093005 
1 1 1 23 10 35 o 18.695  5.4387 1.9023   2.2573  21.251  8.4209 16.139  6.8854 5.111849       10.87746 
1 1 1 23 10 37 f 15.550  5.0109 -0.8927  2.2262  17.588  7.9278 13.512  6.1309 4.075438       10.02184 
1 1 1 23 10 39 o 36.418  5.4929 15.992   2.4867  36.546  9.6503 36.290  5.2498 0.2557487      10.98588 
1 1 1 23 10 41 o 26.743  6.0701 9.6714   2.4436  27.784  9.8087 25.703  7.1537 2.081629       12.14027 
1 1 1 23 11 0  o 58.041  3.4063 34.062   3.9258  58.041  3.4063 ?       ?      0.000000       0.000000 
1 1 1 23 11 2  o 149.010 1.8818 225.253  3.7819  143.060 3.1074 154.959 2.1236 -11.89925      3.763693 
1 1 1 23 11 4  o 192.845 1.9086 369.833  4.7629  195.429 3.2495 190.261 2.0027 5.167801       3.817106 
1 1 1 23 11 6  o 155.870 1.7493 241.328  3.6625  159.028 2.8680 152.713 2.0036 6.314957       3.498538 
1 1 1 23 11 8  o 95.030  1.8728 90.087   2.3966  95.923  3.0695 94.136  2.1465 1.786781       3.745560 
1 1 1 23 11 10 o 144.675 1.9919 203.480  3.5786  151.783 3.4613 137.567 1.9724 14.21646       3.983829 
1 1 1 23 11 12 o 261.231 2.0805 680.623  7.4278  264.758 3.3363 257.703 2.4867 7.055481       4.161048 
1 1 1 23 11 14 o 95.005  2.3407 89.811   2.8463  96.261  4.0183 93.748  2.4017 2.513382       4.681333 
1 1 1 23 11 16 o 155.871 1.7802 245.392  3.8258  150.438 2.8398 161.303 2.1475 -10.86546      3.560376 
1 1 1 23 11 18 o 125.445 1.8026 161.330  3.0280  116.970 3.0107 133.921 1.9830 -16.95051      3.605132 
1 1 1 23 11 20 o 63.990  2.9131 43.393   2.2873  57.749  5.1985 70.231  2.6305 -12.48210      5.826160 
1 1 1 23 11 22 o 74.478  2.9167 56.401   2.7530  72.860  5.0712 76.096  2.8830 -3.236130      5.833405 
1 1 1 23 11 24 o 70.546  2.8922 49.754   2.5005  71.328  5.0992 69.765  2.7308 1.563255       5.784368 
1 1 1 23 11 26 o 79.992  2.6138 63.012   2.4471  82.474  4.6900 77.509  2.3090 4.964676       5.227612 
1 1 1 23 11 28 o 72.562  3.1863 49.809   2.7784  79.782  5.5719 65.343  3.0924 14.43933       6.372506 
1 1 1 23 11 30 o 77.400  2.6256 60.588   2.5679  77.243  4.5592 77.557  2.6053 -0.3143387     5.251116 
1 1 1 23 11 32 o 64.240  3.8885 40.878   2.7264  67.225  7.1279 61.254  3.1103 5.971390       7.776965 
1 1 1 23 11 34 o 32.887  6.2812 12.629   2.7839  31.081  10.917 34.692  6.2161 -3.610048      12.56249 
1 1 1 23 11 36 f 15.890  5.0985 -2.4113  2.3966  20.248  8.5263 11.532  5.5929 8.715933       10.19703 
1 1 1 23 11 38 o 16.998  5.1792 0.8378   2.2556  16.646  7.7931 17.349  6.8239 -0.7031898     10.35849 
1 1 1 23 11 40 o 23.376  5.6373 7.2396   2.1823  21.941  9.3670 24.811  6.2751 -2.869955      11.27463 
1 1 1 23 12 1  o 127.383 1.5731 162.600  2.8277  124.661 2.3156 130.104 2.1300 -5.442513      3.146190 
1 1 1 23 12 3  o 48.361  2.8267 23.670   1.9052  43.586  4.3711 53.136  3.5854 -9.550213      5.653451 
1 1 1 23 12 5  o 110.352 1.7991 119.020  2.4867  114.899 3.1153 105.805 1.8006 9.093704       3.598223 
1 1 1 23 12 7  o 54.507  3.2861 30.698   2.2703  51.293  5.7403 57.721  3.2006 -6.428452      6.572278 
1 1 1 23 12 9  o 144.784 1.8115 209.743  3.6624  145.188 2.7835 144.380 2.3192 0.8078461      3.623031 
1 1 1 23 12 11 o 159.789 1.8545 254.051  3.8640  161.892 3.1382 157.686 1.9771 4.206741       3.709022 
1 1 1 23 12 13 o 235.719 2.1064 554.498  6.7746  238.554 3.3881 232.883 2.5038 5.670944       4.212897 
1 1 1 23 12 15 o 162.596 2.0211 268.123  4.1455  158.877 3.5248 166.316 1.9786 -7.439041      4.042137 
1 1 1 23 12 17 o 79.415  2.3124 65.286   2.3310  74.351  4.0377 84.480  2.2552 -10.12926      4.624830 
1 1 1 23 12 19 o 163.747 1.8480 270.207  4.1354  160.444 2.9866 167.050 2.1773 -6.605286      3.695960 
1 1 1 23 12 21 o 135.540 1.9371 185.223  3.6149  132.559 3.0922 138.520 2.3340 -5.961060      3.874158 
1 1 1 23 12 23 o 142.641 1.9772 204.737  3.6475  141.737 3.3808 143.545 2.0512 -1.808670      3.954344 
1 1 1 23 12 25 o 71.142  2.9768 48.928   2.5242  75.590  5.2699 66.695  2.7700 8.894547       5.953561 
1 1 1 23 12 27 o 75.100  2.9953 57.003   2.7316  74.933  5.3161 75.266  2.7613 -0.3335190     5.990513 
1 1 1 23 12 29 o 45.577  4.7761 21.672   2.5273  45.251  8.6033 45.903  4.1504 -0.6518478     9.552122 
1 1 1 23 12 31 o 84.681  2.8938 73.091   2.8733  84.099  5.2173 85.264  2.5053 -1.165245      5.787608 
1 1 1 23 12 33 o 72.156  3.3655 52.813   2.7340  73.392  6.1357 70.919  2.7678 2.473732       6.731063 
1 1 1 23 12 35 o 19.081  5.6601 2.0550   2.3664  21.124  8.9603 17.037  6.9182 4.087284       11.32029 
1 1 1 23 12 37 o 21.162  5.6488 4.7629   2.1650  23.326  8.8950 18.997  6.9652 4.328848       11.29762 
1 1 1 23 12 39 f 19.198  5.6168 3.5392   2.2574  20.493  8.9496 17.904  6.7897 2.589167       11.23363 
1 1 1 23 13 0  o 530.763 4.6345 2822.30  49.188  530.763 4.6345 ?       ?      0.000000       0.000000 
1 1 1 23 13 2  o 305.013 2.1557 931.132  9.2773  302.949 2.9347 307.076 3.1585 -4.126770      4.311481 
1 1 1 23 13 4  o 80.103  2.1154 64.264   2.3955  79.705  3.0422 80.501  2.9404 -0.7954788     4.230898 
1 1 1 23 13 6  o 65.930  2.4060 42.529   2.1790  71.599  3.7091 60.262  3.0657 11.33766       4.812048 
1 1 1 23 13 8  o 99.084  2.0621 97.665   2.8450  102.300 3.1603 95.869  2.6497 6.431007       4.124129 
1 1 1 23 13 10 o 30.725  5.8651 9.6589   2.4097  30.974  9.9096 30.476  6.2767 0.4983196      11.73017 
1 1 1 23 13 12 o 88.027  1.9977 78.016   2.4125  86.400  3.2073 89.653  2.3826 -3.252983      3.995475 
1 1 1 23 13 14 o 60.712  2.9743 35.167   2.2831  66.283  5.0518 55.141  3.1410 11.14190       5.948628 
1 1 1 23 13 16 o 88.250  2.4320 80.779   2.7035  82.529  4.2672 93.971  2.3346 -11.44236      4.864068 
1 1 1 23 13 18 o 266.458 2.2393 715.560  8.0624  262.408 3.6742 270.508 2.5611 -8.100037      4.478666 
1 1 1 23 13 20 o 132.699 2.0370 178.251  3.4185  130.299 3.5446 135.099 2.0085 -4.799911      4.074084 
1 1 1 23 13 22 o 91.529  2.6001 86.168   2.9391  87.859  4.5997 95.198  2.4258 -7.339226      5.200172 
1 1 1 23 13 24 o 56.366  4.0797 32.293   2.7582  56.298  7.2808 56.433  3.6829 -0.1346893     8.159312 
1 1 1 23 13 26 f 40.935  5.3352 19.138   2.4503  35.266  9.9067 46.604  3.9641 -11.33760      10.67041 
1 1 1 23 13 28 o 24.088  6.3132 4.9223   2.5529  26.663  10.260 21.513  7.3591 5.149437       12.62650 
1 1 1 23 13 30 o 29.634  6.5801 8.5131   2.5899  35.747  11.023 23.521  7.1895 12.22600       13.16030 
1 1 1 23 13 32 o 35.157  6.0297 13.734   2.6128  34.135  10.849 36.179  5.2660 -2.043819      12.05931 
1 1 1 23 13 34 o 40.067  5.9168 17.023   2.6392  43.227  10.723 36.907  5.0056 6.319592       11.83362 
1 1 1 23 13 36 o 14.997  4.9466 -2.1584  2.3185  16.662  7.8117 13.331  6.0708 3.330938       9.893270 
1 1 1 23 13 38 o 29.439  5.6727 10.911   2.2043  28.507  9.9081 30.371  5.5269 -1.864128      11.34538 
1 1 1 23 14 1  o 207.230 1.7427 429.012  5.0961  201.502 2.4067 212.957 2.5212 -11.45584      3.485490 
1 1 1 23 14 3  o 416.770 2.6838 1741.13  15.815  413.786 3.7671 419.753 3.8236 -5.967041      5.367559 
1 1 1 23 14 5  o 365.273 2.7944 1338.63  14.183  364.428 4.3565 366.118 3.5007 -1.689941      5.588736 
1 1 1 23 14 7  o 133.017 2.0775 176.650  3.7638  134.328 3.3523 131.706 2.4547 2.622192       4.154969 
1 1 1 23 14 9  o 233.622 2.2805 546.973  7.5340  232.681 3.2503 234.563 3.1996 -1.881897      4.560970 
1 1 1 23 14 11 o 162.774 2.0197 264.480  4.3497  164.178 3.3758 161.370 2.2181 2.807861       4.039320 
1 1 1 23 14 13 o 88.125  1.9423 78.838   2.2352  85.503  3.3085 90.747  2.0358 -5.244629      3.884688 
1 1 1 23 14 15 f 116.495 2.0832 137.806  3.0922  113.505 3.6113 119.485 2.0777 -5.980316      4.166314 
1 1 1 23 14 17 o 100.536 2.1412 103.871  2.8123  94.662  3.6593 106.409 2.2245 -11.74670      4.282337 
1 1 1 23 14 19 o 104.013 2.3131 110.875  3.0309  99.869  4.0466 108.157 2.2419 -8.288727      4.626101 
1 1 1 23 14 21 o 85.179  2.6460 73.654   2.6812  83.901  4.7479 86.457  2.3372 -2.556282      5.291975 
1 1 1 23 14 23 o 120.950 2.0970 146.754  3.2922  121.310 3.5693 120.590 2.2022 0.7201157      4.194008 
1 1 1 23 14 25 o 139.164 1.9461 196.950  3.6054  134.693 3.2575 143.634 2.1303 -8.941315      3.892242 
1 1 1 23 14 27 o 18.497  5.3803 -1.3227  2.6042  16.054  7.7735 20.940  7.4406 -4.885342      10.76056 
1 1 1 23 14 29 o 65.979  3.7397 42.677   2.8777  69.934  6.6867 62.023  3.3510 7.911110       7.479406 
1 1 1 23 14 31 f 19.772  5.9899 0.9708   2.6899  21.101  9.5284 18.443  7.2613 2.658173       11.97980 
1 1 1 23 14 33 f 17.766  5.6759 -0.2921  2.4451  20.743  9.3811 14.789  6.3921 5.954256       11.35181 
1 1 1 23 14 35 o 15.960  5.0618 -1.4358  2.4097  15.504  7.4780 16.416  6.8239 -0.9115944     10.12356 
1 1 1 23 14 37 o 24.232  5.9174 6.8957   2.0945  27.763  9.8823 20.702  6.5117 7.060930       11.83482 
1 1 1 23 15 0  o 293.650 3.0481 863.329  17.897  293.650 3.0481 ?       ?      0.000000       0.000000 
1 1 1 23 15 2  o 223.288 1.7282 499.181  5.4555  219.566 2.4716 227.010 2.4160 -7.443756      3.456300 
1 1 1 23 15 4  o 142.507 1.5901 203.274  3.2039  140.199 2.2648 144.815 2.2325 -4.615860      3.180177 
1 1 1 23 15 6  o 115.499 1.6790 133.548  2.7420  113.651 2.3875 117.348 2.3615 -3.696014      3.358086 
1 1 1 23 15 8  o 78.987  2.1090 63.454   2.2963  84.408  2.5307 73.566  3.3745 10.84195       4.218020 
1 1 1 23 15 10 o 119.761 1.7717 141.916  2.8496  123.603 2.8959 115.919 2.0420 7.683701       3.543421 
1 1 1 23 15 12 o 144.148 1.9221 207.244  3.5575  145.416 3.2952 142.879 1.9799 2.536209       3.844292 
1 1 1 23 15 14 o 101.256 2.0983 104.074  2.8123  98.076  3.5319 104.437 2.2665 -6.361343      4.196574 
1 1 1 23 15 16 o 27.453  5.3826 7.8331   2.1338  28.578  8.1085 26.329  7.0809 2.249165       10.76513 
1 1 1 23 15 18 o 35.592  4.7355 11.725   2.1925  48.252  6.5807 22.932  6.8114 25.31958       9.471024 
1 1 1 23 15 20 o 152.273 1.8558 231.770  3.8432  153.935 3.0003 150.611 2.1849 3.324524       3.711597 
1 1 1 23 15 22 o 118.947 2.0942 140.680  3.2753  121.744 3.5092 116.150 2.2864 5.594444       4.188313 
1 1 1 23 15 24 o 84.314  2.8277 71.965   2.8856  83.793  5.0296 84.835  2.5860 -1.042816      5.655479 
1 1 1 23 15 26 o 37.829  5.7703 14.178   2.6546  43.919  9.5977 31.740  6.4088 12.17902       11.54070 
1 1 1 23 15 28 o 15.835  5.1462 -5.3819  2.7316  15.338  7.5662 16.332  6.9775 -0.9944744     10.29240 
1 1 1 23 15 30 o 34.511  5.9352 13.654   2.6424  30.798  10.702 38.224  5.1352 -7.426697      11.87045 
1 1 1 23 15 32 o 37.233  5.4720 16.438   2.4370  32.674  10.011 41.791  4.4206 -9.117481      10.94397 
1 1 1 23 15 34 o 16.220  5.2987 -1.2300  2.4503  18.892  8.6167 13.548  6.1692 5.343430       10.59744 
1 1 1 23 15 36 o 28.170  4.6938 10.459   1.9884  19.806  8.4408 36.534  4.1086 -16.72824      9.387614 
1 1 1 23 15 38 o 22.504  6.4971 6.1750   3.4907  18.923  8.6086 26.085  9.7334 -7.161997      12.99411 
1 1 1 23 16 1  o 180.450 1.6766 326.230  4.2714  173.046 2.4355 187.853 2.3050 -14.80667      3.353241 
1 1 1 23 16 3  o 180.545 1.8191 327.854  4.6121  173.771 2.7575 187.319 2.3732 -13.54745      3.638108 
1 1 1 23 16 5  o 119.654 1.6541 143.081  2.7926  116.550 2.2786 122.758 2.3985 -6.207176      3.308281 
1 1 1 23 16 7  o 54.039  2.7179 29.593   2.0393  56.777  3.3555 51.300  4.2765 5.476879       5.435766 
1 1 1 23 16 9  o 46.393  3.6082 21.847   2.3207  44.623  5.6926 48.164  4.4351 -3.540771      7.216365 
1 1 1 23 16 11 o 145.273 1.9565 211.221  3.9873  146.599 2.9536 143.948 2.5668 2.651459       3.913076 
1 1 1 23 16 13 o 86.968  2.5065 76.631   2.7225  85.398  4.3943 88.537  2.4126 -3.139610      5.013014 
1 1 1 23 16 15 o 122.062 2.1357 151.989  3.4039  117.265 3.6432 126.859 2.2299 -9.594276      4.271487 
1 1 1 23 16 17 o 163.650 2.1147 269.900  4.4524  162.139 3.6319 165.162 2.1672 -3.023178      4.229353 
1 1 1 23 16 19 o 130.942 1.9311 170.501  3.2635  133.293 3.2917 128.592 2.0203 4.701889       3.862271 
1 1 1 23 16 21 o 133.273 2.1241 175.904  3.5717  136.755 3.6728 129.791 2.1351 6.964005       4.248271 
1 1 1 23 16 23 o 107.966 2.5267 116.728  3.4959  109.192 4.3355 106.740 2.5962 2.451698       5.053401 
1 1 1 23 16 25 o 44.114  5.7896 22.621   2.7554  37.914  10.860 50.314  4.0160 -12.39989      11.57920 
1 1 1 23 16 27 o 47.545  4.7700 23.768   2.7039  47.264  8.4927 47.827  4.3456 -0.5625763     9.539945 
1 1 1 23 16 29 o 20.825  5.4583 2.6364   2.4132  17.693  8.1200 23.957  7.2966 -6.263639      10.91670 
1 1 1 23 16 31 o 55.244  5.3068 34.170   2.8317  52.359  10.062 58.129  3.3768 -5.769897      10.61351 
1 1 1 23 16 33 o 25.956  5.4493 7.5214   2.6352  19.409  9.0406 32.502  6.0868 -13.09357      10.89866 
1 1 1 23 16 35 o 21.127  4.9261 3.9638   2.1610  16.201  7.7468 26.052  6.0870 -9.850510      9.852112 
1 1 1 23 16 37 o 17.982  5.9054 -0.2135  3.6335  16.970  8.0847 18.994  8.6100 -2.024099      11.81081 
1 1 1 23 17 0  o 162.324 2.3128 263.837  7.5052  162.324 2.3128 ?       ?      0.000000       0.000000 
1 1 1 23 17 2  o 58.379  2.6970 34.258   2.2223  59.915  3.6616 56.844  3.9610 3.071423       5.394095 
1 1 1 23 17 4  o 172.878 1.7012 299.405  4.1535  172.219 2.4807 173.537 2.3288 -1.317459      3.402474 
1 1 1 23 17 6  o 146.641 1.6981 215.349  3.5207  147.680 2.4238 145.601 2.3791 2.078690       3.396252 
1 1 1 23 17 8  o 23.041  5.2596 5.0029   2.0140  26.818  7.6110 19.264  7.2613 7.554064       10.51917 
1 1 1 23 17 10 o 124.762 1.7537 156.134  3.0884  128.350 2.3840 121.174 2.5728 7.176468       3.507497 
1 1 1 23 17 12 o 99.700  2.3852 98.914   3.2678  102.574 3.7710 96.827  2.9216 5.746727       4.770337 
1 1 1 23 17 14 o 78.280  2.4502 63.675   2.4754  72.247  4.2352 84.312  2.4651 -12.06455      4.900356 
1 1 1 23 17 16 o 45.607  4.9495 21.787   2.2998  44.374  9.2780 46.841  3.4511 -2.467144      9.899086 
1 1 1 23 17 18 f 81.862  2.6808 68.914   2.7530  78.582  4.7019 85.142  2.5767 -6.559181      5.361641 
1 1 1 23 17 20 o 31.307  5.6022 10.884   2.4884  25.215  10.057 37.399  4.9398 -12.18373      11.20445 
1 1 1 23 17 22 o 60.560  3.4264 36.894   2.7469  61.656  5.7118 59.464  3.7864 2.192627       6.852852 
1 1 1 23 17 24 o 71.416  3.2663 50.930   2.7436  72.926  5.8582 69.905  2.8905 3.021049       6.532528 
1 1 1 23 17 26 o 58.412  3.7782 34.302   2.8147  60.711  6.4664 56.113  3.9097 4.597946       7.556415 
1 1 1 23 17 28 o 21.777  5.5852 2.3676   2.6680  17.676  8.3488 25.877  7.4213 -8.201754      11.17040 
1 1 1 23 17 30 o 47.377  5.5402 24.925   2.8113  46.182  10.270 48.572  4.1601 -2.390163      11.08048 
1 1 1 23 17 32 o 22.837  5.9490 5.6265   2.5354  21.763  9.2917 23.912  7.4316 -2.148653      11.89809 
1 1 1 23 17 34 o 22.511  6.4691 5.3432   2.5681  25.355  10.888 19.666  6.9891 5.688374       12.93821 
1 1 1 23 17 36 o 46.814  5.8614 29.384   3.7963  44.319  8.3817 49.309  8.1958 -4.990227      11.72276 
1 1 1 23 18 1  o 40.591  4.2491 16.722   2.4234  42.521  5.5667 38.661  6.4212 3.860214       8.498184 
1 1 1 23 18 3  o 56.513  2.9617 32.099   2.3670  56.411  4.1960 56.615  4.1809 -0.2043152     5.923398 
1 1 1 23 18 5  o 136.077 1.6654 185.333  3.2018  140.611 2.3403 131.544 2.3700 9.067612       3.330741 
1 1 1 23 18 7  o 102.336 1.9579 105.033  2.8242  103.247 2.6281 101.424 2.9030 1.823044       3.915896 
1 1 1 23 18 9  o 21.132  5.3665 3.7590   2.0719  22.432  7.4697 19.832  7.7072 2.599388       10.73304 
1 1 1 23 18 11 o 95.850  2.4703 92.145   3.1682  96.076  4.0861 95.623  2.7772 0.4532700      4.940592 
1 1 1 23 18 13 o 38.791  6.0080 16.042   3.1914  38.846  8.9471 38.736  8.0209 0.1101112      12.01608 
1 1 1 23 18 15 o 70.496  2.7535 49.884   2.5477  70.920  4.6401 70.072  2.9660 0.8479919      5.507067 
1 1 1 23 18 17 o 49.798  5.0845 28.358   2.8305  41.476  9.4021 58.120  3.8740 -16.64421      10.16897 
1 1 1 23 18 19 o 18.675  5.4406 1.4087   2.2169  20.370  8.4053 16.980  6.9104 3.390102       10.88130 
1 1 1 23 18 21 o 59.145  4.3036 36.232   2.9503  57.660  7.8098 60.631  3.6183 -2.970863      8.607265 
1 1 1 23 18 23 o 25.602  6.1890 5.6217   2.5354  32.630  10.014 18.574  7.2755 14.05555       12.37807 
1 1 1 23 18 25 o 38.156  5.7787 14.706   2.7069  44.233  9.5387 32.078  6.5258 12.15486       11.55740 
1 1 1 23 18 27 o 57.397  3.3798 34.052   2.5948  56.587  5.6113 58.207  3.7690 -1.619534      6.759578 
1 1 1 23 18 29 o 28.911  6.8535 9.0487   2.7850  32.114  11.604 25.709  7.2959 6.405502       13.70693 
1 1 1 23 18 31 o 16.733  5.3282 -1.0309  2.5980  16.978  8.0271 16.489  7.0088 0.4884548      10.65636 
1 1 1 23 18 33 o 24.013  6.5453 6.1239   2.4927  30.507  11.161 17.519  6.8399 12.98769       13.09052 
1 1 1 23 18 35 o 22.039  6.5504 6.2399   3.4399  21.416  8.9270 22.663  9.5885 -1.247313      13.10077 
1 1 1 23 19 0  o 272.057 2.9080 741.283  15.819  272.057 2.9080 ?       ?      0.000000       0.000000 
1 1 1 23 19 2  o 248.325 2.1290 618.152  7.4753  252.119 2.9997 244.531 3.0220 7.587631       4.258049 
1 1 1 23 19 4  o 242.380 1.9954 588.144  6.8314  247.551 2.8685 237.208 2.7746 10.34271       3.990815 
1 1 1 23 19 6  o 131.727 1.6923 174.071  3.1440  134.231 2.2795 129.222 2.5019 5.009155       3.384621 
1 1 1 23 19 8  o 125.139 1.8752 156.711  3.3133  129.139 2.6823 121.139 2.6212 8.000412       3.750394 
1 1 1 23 19 10 o 115.303 1.8108 133.436  2.9342  116.297 2.3828 114.309 2.7273 1.987953       3.621602 
1 1 1 23 19 12 o 66.323  3.4142 43.505   2.9979  69.557  5.6440 63.090  3.8434 6.467838       6.828303 
1 1 1 23 19 14 o 148.264 2.0367 220.692  4.1006  148.318 3.3086 148.210 2.3761 0.1072693      4.073431 
1 1 1 23 19 16 o 137.050 1.9259 188.983  3.5458  136.311 3.1765 137.789 2.1788 -1.477829      3.851897 
1 1 1 23 19 18 o 67.345  3.4009 47.218   2.8757  63.821  5.9704 70.869  3.2585 -7.048134      6.801729 
1 1 1 23 19 20 o 59.665  3.4366 36.684   2.6926  57.412  5.8324 61.919  3.6363 -4.507225      6.873111 
1 1 1 23 19 22 o 21.850  6.2815 2.2904   2.6812  27.295  10.437 16.405  6.9921 10.88960       12.56295 
1 1 1 23 19 24 o 62.748  3.4996 38.718   2.7450  67.028  6.0292 58.467  3.5547 8.560375       6.999134 
1 1 1 23 19 26 f 44.832  5.6586 21.044   2.9747  47.324  10.061 42.339  5.1816 4.985054       11.31728 
1 1 1 23 19 28 o 47.125  5.2576 23.996   2.8206  47.807  9.5154 46.443  4.4751 1.364738       10.51521 
1 1 1 23 19 30 o 16.650  5.6021 -3.0275  2.7012  21.654  9.6927 11.646  5.6201 10.00814       11.20425 
1 1 1 23 19 32 o 24.930  6.8349 6.9455   2.5833  30.504  11.755 19.356  6.9781 11.14780       13.66976 
1 1 1 23 19 34 o 21.207  6.4012 2.8365   3.7128  26.692  10.323 15.721  7.5721 10.97106       12.80242 
1 1 1 23 20 1  o 71.155  2.4184 50.958   2.4193  72.589  3.1813 69.721  3.6434 2.867989       4.836870 
1 1 1 23 20 3  o 75.850  2.3534 57.933   2.5110  80.908  3.1396 70.792  3.5067 10.11610       4.706872 
1 1 1 23 20 5  o 66.286  2.4945 44.146   2.3378  65.114  3.5465 67.458  3.5089 -2.343643      4.988998 
1 1 1 23 20 7  o 30.133  5.0207 9.6326   2.1068  31.138  7.0266 29.129  7.1732 2.009418       10.04130 
1 1 1 23 20 9  o 61.828  2.7374 38.273   2.3788  59.062  3.7145 64.594  4.0220 -5.531590      5.474822 
1 1 1 23 20 11 o 61.956  2.6219 38.856   2.2801  58.130  3.9726 65.782  3.4228 -7.651764      5.243759 
1 1 1 23 20 13 o 20.747  6.0572 1.7040   2.7035  23.496  9.5481 17.999  7.4561 5.497368       12.11446 
1 1 1 23 20 15 o 80.159  2.5917 65.034   2.8923  78.693  4.0350 81.625  3.2535 -2.931732      5.183305 
1 1 1 23 20 17 o 53.615  4.3968 29.404   2.7839  53.326  7.9031 53.903  3.8558 -0.5763817     8.793531 
1 1 1 23 20 19 o 69.787  3.3366 50.899   2.7810  66.378  6.0013 73.196  2.9183 -6.818283      6.673269 
1 1 1 23 20 21 o 57.158  3.5914 32.455   2.6915  61.018  5.9608 53.298  4.0079 7.720444       7.182870 
1 1 1 23 20 23 o 31.476  5.6939 11.209   2.8438  23.467  9.9405 39.486  5.5560 -16.01930      11.38785 
1 1 1 23 20 25 o 20.622  5.8114 3.0566   2.4261  21.805  8.9974 19.439  7.3577 2.365797       11.62280 
1 1 1 23 20 27 f 33.074  6.9822 12.878   3.1417  33.085  12.071 33.062  7.0219 0.2320862E-01  13.96450 
1 1 1 23 20 29 o 51.966  4.0639 28.950   2.7530  54.065  6.8342 49.866  4.3994 4.198177       8.127770 
1 1 1 23 20 31 o 21.755  6.0083 5.0666   2.5910  21.612  9.4128 21.899  7.4697 -0.2868443     12.01653 
1 1 1 23 20 33 o 17.055  5.4065 0.8533   2.4698  18.035  8.4860 16.074  6.7013 1.960251       10.81295 
1 1 1 23 21 0  o 95.630  3.0252 91.910   5.7732  95.630  3.0252 ?       ?      0.000000       0.000000 
1 1 1 23 21 2  o 113.754 1.9271 130.176  3.0884  118.706 2.5776 108.802 2.8653 9.903580       3.854130 
1 1 1 23 21 4  o 51.257  3.4286 26.557   2.4771  51.282  4.6157 51.231  5.0711 0.5152130E-01  6.857134 
1 1 1 23 21 6  o 46.248  3.5370 21.658   2.3035  46.463  4.7217 46.032  5.2675 0.4307518      7.073968 
1 1 1 23 21 8  o 73.788  2.4578 54.283   2.5428  68.515  3.3705 79.061  3.5781 -10.54529      4.915582 
1 1 1 23 21 10 o 73.586  2.3566 54.316   2.4451  70.162  3.2914 77.010  3.3735 -6.848587      4.713143 
1 1 1 23 21 12 o 89.924  2.1335 81.307   2.7122  88.940  2.9859 90.908  3.0483 -1.967926      4.267067 
1 1 1 23 21 14 o 140.048 1.8070 196.793  3.5757  142.770 2.5880 137.325 2.5224 5.444366       3.613913 
1 1 1 23 21 16 o 83.280  2.4268 69.890   2.8575  84.695  3.4083 81.866  3.4555 2.829208       4.853530 
1 1 1 23 21 18 o 55.449  3.6725 30.367   2.6452  59.138  6.1502 51.760  4.0154 7.378304       7.344996 
1 1 1 23 21 20 o 33.568  5.1650 14.151   2.3990  22.694  9.5127 44.442  4.0271 -21.74731      10.33000 
1 1 1 23 21 22 o 50.954  4.8199 28.282   2.6666  48.450  8.9131 53.459  3.6718 -5.008556      9.639794 
1 1 1 23 21 24 o 19.156  5.8675 0.7854   2.7071  21.021  9.2112 17.291  7.2709 3.730171       11.73506 
1 1 1 23 21 26 o 25.267  6.6402 6.4897   2.9212  25.853  10.771 24.680  7.7690 1.172880       13.28038 
1 1 1 23 21 28 o 33.892  6.4540 14.062   2.7340  35.093  11.306 32.691  6.2283 2.401676       12.90794 
1 1 1 23 21 30 o 30.218  6.6525 12.067   2.7946  30.137  11.518 30.298  6.6593 -0.1609364     13.30493 
1 1 1 23 21 32 o 18.315  5.9217 1.5405   2.8406  20.469  9.6333 16.160  6.8897 4.308796       11.84346 
1 1 1 23 22 1  o 51.469  3.5110 26.826   2.5074  51.560  5.4866 51.378  4.3823 0.1817703      7.021945 
1 1 1 23 22 3  o 90.234  2.2388 81.721   2.8505  88.052  3.0816 92.416  3.2485 -4.364059      4.477592 
1 1 1 23 22 5  o 92.634  2.2282 86.194   2.9015  91.767  2.9569 93.501  3.3342 -1.734146      4.456470 
1 1 1 23 22 7  f 56.670  2.9118 32.073   2.3093  51.947  4.0009 61.393  4.2317 -9.445065      5.823615 
1 1 1 23 22 9  o 21.710  5.7339 3.8681   2.3670  22.068  8.1377 21.352  8.0802 0.7166405      11.46786 
1 1 1 23 22 11 o 56.344  3.1522 32.159   2.5110  56.182  4.5214 56.506  4.3933 -0.3241196     6.304312 
1 1 1 23 22 13 o 54.986  3.3496 30.629   2.5928  50.926  4.8747 59.047  4.5954 -8.120274      6.699248 
1 1 1 23 22 15 o 50.792  3.7772 27.601   2.5284  59.271  3.9936 42.314  6.4125 16.95606       7.554406 
1 1 1 23 22 17 o 85.018  2.4616 73.288   2.9432  91.144  3.2938 78.892  3.6590 12.25238       4.923103 
1 1 1 23 22 19 o 51.373  4.3445 27.687   2.7845  49.925  7.6321 52.822  4.1532 -2.897041      8.689001 
1 1 1 23 22 21 o 56.402  4.2846 32.484   2.8325  57.799  7.6912 55.006  3.7784 2.792397       8.569170 
1 1 1 23 22 23 o 65.368  3.3867 44.192   2.9030  65.684  5.7131 65.053  3.6386 0.6309891      6.773454 
1 1 1 23 22 25 o 45.891  5.7161 24.355   2.8005  42.944  10.657 48.837  4.1375 -5.893169      11.43227 
1 1 1 23 22 27 o 24.904  6.7050 6.1036   2.8977  32.851  11.309 16.958  7.2072 15.89224       13.41000 
1 1 1 23 22 29 o 20.859  6.0044 4.3305   2.7071  20.989  9.2041 20.728  7.7133 0.2614479      12.00874 
1 1 1 23 22 31 o 17.349  5.5150 -0.4468  2.8913  16.892  8.3268 17.806  7.2336 -0.9141769     11.02996 
1 1 1 23 23 0  o 139.923 2.8082 196.521  7.8516  139.923 2.8082 ?       ?      0.000000       0.000000 
1 1 1 23 23 2  o 25.004  5.5583 6.3506   2.2516  21.965  7.9525 28.042  7.7677 -6.077187      11.11664 
1 1 1 23 23 4  o 55.875  3.2548 31.561   2.5610  59.810  4.5368 51.941  4.6683 7.868656       6.509624 
1 1 1 23 23 6  o 80.562  2.4394 65.465   2.7603  81.139  3.2019 79.986  3.6811 1.152908       4.878764 
1 1 1 23 23 8  o 131.003 1.9478 172.412  3.6062  130.468 2.6993 131.539 2.8089 -1.071548      3.895666 
1 1 1 23 23 10 o 94.197  2.1013 88.949   2.7854  91.570  2.8371 96.824  3.1005 -5.254089      4.202698 
1 1 1 23 23 12 o 18.680  5.3429 -0.1632  2.5031  22.726  8.1612 14.633  6.8979 8.093830       10.68577 
1 1 1 23 23 14 o 74.843  2.5355 57.080   2.6507  70.642  3.9228 79.044  3.2137 -8.402412      5.071097 
1 1 1 23 23 16 o 123.859 2.0953 154.931  3.6640  125.470 2.8528 122.247 3.0697 3.223038       4.190629 
1 1 1 23 23 18 o 46.629  4.3190 23.940   2.5659  53.067  4.3517 40.192  7.4617 12.87519       8.637903 
1 1 1 23 23 20 o 56.087  4.2712 30.789   2.8667  61.715  7.4837 50.458  4.1190 11.25691       8.542324 
1 1 1 23 23 22 o 43.803  5.3905 21.318   2.7069  42.740  9.7952 44.866  4.5037 -2.125729      10.78095 
1 1 1 23 23 24 o 30.832  6.8344 11.557   3.0321  30.610  11.620 31.054  7.1990 -0.4435673     13.66889 
1 1 1 23 23 26 o 21.052  5.7550 2.2408   2.9489  17.163  8.2846 24.940  7.9904 -7.776789      11.51008 
1 1 1 23 23 28 o 29.790  6.5860 11.623   2.7712  32.440  10.870 27.141  7.4393 5.298914       13.17198 
1 1 1 23 23 30 o 32.173  6.7291 16.618   3.4387  26.347  12.084 37.998  5.9254 -11.65124      13.45819 
1 1 1 23 24 1  o 65.637  2.9950 43.433   2.7603  59.570  4.3612 71.704  4.1062 -12.13419      5.990089 
1 1 1 23 24 3  o 85.256  2.3702 73.198   2.8575  84.856  3.3338 85.656  3.3700 -0.8003311     4.740351 
1 1 1 23 24 5  o 80.663  2.2552 65.458   2.5662  85.082  3.1213 76.243  3.2560 8.838303       4.510461 
1 1 1 23 24 7  o 114.815 2.0447 132.635  3.3194  116.519 2.8738 113.112 2.9093 3.406898       4.089301 
1 1 1 23 24 9  o 186.959 1.9542 351.577  5.1656  185.851 2.7336 188.067 2.7935 -2.216599      3.908484 
1 1 1 23 24 11 o 161.879 1.9953 263.806  4.5426  161.240 2.6496 162.518 2.9840 -1.278595      3.990544 
1 1 1 23 24 13 o 57.292  3.5558 34.245   2.7497  60.559  4.0040 54.025  5.8774 6.534306       7.111676 
1 1 1 23 24 15 o 26.589  6.3302 7.5052   2.8289  27.767  8.9625 25.411  8.9421 2.355909       12.66048 
1 1 1 23 24 17 o 60.234  3.9343 38.137   3.2543  63.026  4.6717 57.443  6.3317 5.582825       7.868630 
1 1 1 23 24 19 f 69.984  2.7851 50.459   2.7396  72.682  3.6538 67.286  4.2043 5.396095       5.570138 
1 1 1 23 24 21 o 21.209  6.4502 2.2564   2.9549  24.213  10.550 18.205  7.4233 6.007978       12.90033 
1 1 1 23 24 23 o 34.756  6.2266 15.004   2.8086  32.769  11.094 36.742  5.6567 -3.972397      12.45311 
1 1 1 23 24 25 o 17.750  5.7064 -1.6817  3.0431  17.868  8.6977 17.632  7.3892 0.2364464      11.41274 
1 1 1 23 24 27 o 19.276  5.9343 1.6165   3.0021  19.103  8.9984 19.449  7.7390 -0.3467674     11.86855 
1 1 1 23 24 29 o 20.367  6.7061 2.8591   3.5189  23.256  11.144 17.477  7.4626 5.779249       13.41223 
1 1 1 23 25 0  o 20.900  10.183 6.6969   4.9650  20.900  10.183 ?       ?      0.000000       0.000000 
1 1 1 23 25 2  o 26.234  6.2395 6.9899   2.7274  26.068  8.4975 26.400  9.1388 -0.3316135     12.47898 
1 1 1 23 25 4  o 61.427  3.1367 38.455   2.7122  59.010  4.6961 63.844  4.1596 -4.834854      6.273425 
1 1 1 23 25 6  o 123.093 1.9447 152.223  3.3475  124.585 2.9657 121.601 2.5163 2.984108       3.889374 
1 1 1 23 25 8  o 150.777 1.9497 229.197  4.1567  149.322 2.7837 152.232 2.7305 -2.910065      3.899358 
1 1 1 23 25 10 o 130.787 2.0773 172.666  3.8390  128.395 3.0126 133.180 2.8610 -4.784698      4.154701 
1 1 1 23 25 12 o 74.781  2.7529 56.677   2.8127  73.726  3.2889 75.836  4.4154 -2.109932      5.505710 
1 1 1 23 25 14 o 18.653  5.7868 -0.5196  2.9443  19.385  8.3558 17.921  8.0079 1.464096       11.57352 
1 1 1 23 25 16 o 19.182  5.8133 0.8083   2.8289  20.039  8.3941 18.326  8.0446 1.713745       11.62658 
1 1 1 23 25 18 o 28.081  5.9493 7.3462   2.9901  17.103  7.5888 39.058  9.1644 -21.95526      11.89859 
1 1 1 23 25 20 o 35.629  4.3945 14.038   2.1299  29.783  6.9119 41.474  5.4289 -11.69036      8.789013 
1 1 1 23 25 22 o 15.418  5.1671 -4.0885  2.7554  16.391  8.0044 14.446  6.5364 1.945711       10.33414 
1 1 1 23 25 24 o 35.838  6.6671 15.845   3.0918  43.943  10.722 27.732  7.9274 16.21036       13.33424 
1 1 1 23 25 26 o 38.968  6.3947 21.081   2.8406  33.187  12.014 44.748  4.3865 -11.56088      12.78937 
1 1 1 23 26 1  o 39.082  4.9150 16.281   2.6557  37.441  7.3552 40.722  6.5214 -3.281712      9.829917 
1 1 1 23 26 3  o 87.686  2.5832 77.789   3.1976  84.382  3.6261 90.989  3.6801 -6.607277      5.166420 
1 1 1 23 26 5  o 57.419  3.4854 33.786   2.8277  59.300  4.8678 55.538  4.9896 3.762016       6.970801 
1 1 1 23 26 7  o 30.242  6.2002 10.194   2.8575  33.594  8.5649 26.889  8.9673 6.704895       12.40045 
1 1 1 23 26 9  o 58.981  3.4971 35.764   2.9015  54.515  4.9774 63.446  4.9137 -8.931171      6.994173 
1 1 1 23 26 11 o 56.718  3.4489 33.141   2.6909  56.605  4.1817 56.831  5.4856 -0.2262726     6.897703 
1 1 1 23 26 13 o 49.545  4.4357 27.317   2.8242  58.721  4.6209 40.370  7.5729 18.35103       8.871355 
1 1 1 23 26 15 o 74.571  3.0665 57.564   3.2320  74.811  4.2444 74.331  4.4271 0.4804535      6.133054 
1 1 1 23 26 17 o 34.300  5.5344 13.662   2.6240  33.544  7.7270 35.057  7.9254 -1.512962      11.06879 
1 1 1 23 26 19 f 23.629  6.6038 4.9417   3.3475  17.561  7.8860 29.698  10.595 -12.13628      13.20767 
1 1 1 23 26 21 o 19.527  5.7625 2.7368   2.6348  19.679  7.7677 19.375  8.5139 0.3043537      11.52495 
1 1 1 23 26 23 o 23.844  6.8791 5.4596   3.2457  31.553  11.701 16.136  7.2372 15.41689       13.75824 
1 1 1 23 26 25 o 21.112  6.4645 4.4992   3.0661  26.529  10.837 15.696  7.0508 10.83292       12.92899 
1 1 1 23 27 0  o 110.095 3.0993 122.277  6.8124  110.095 3.0993 ?       ?      0.000000       0.000000 
1 1 1 23 27 2  o 105.783 2.1224 113.216  3.1742  107.179 3.0165 104.387 2.9865 2.791542       4.244808 
1 1 1 23 27 4  o 88.417  2.4702 79.439   3.0884  88.365  3.4627 88.469  3.5239 -0.1038589     4.940464 
1 1 1 23 27 6  f 67.654  3.0280 47.022   2.8820  69.300  3.9988 66.008  4.5480 3.291801       6.055985 
1 1 1 23 27 8  o 51.438  3.8887 27.845   2.7854  53.403  4.8648 49.473  6.0681 3.930504       7.777437 
1 1 1 23 27 10 o 30.062  6.1582 10.353   2.8435  25.024  8.6776 35.100  8.7404 -10.07623      12.31648 
1 1 1 23 27 12 o 41.176  5.2626 19.249   2.9432  46.617  6.1921 35.735  8.5110 10.88268       10.52520 
1 1 1 23 27 14 o 49.863  4.1259 26.885   2.8435  53.113  5.0000 46.612  6.5644 6.501480       8.251790 
1 1 1 23 27 16 o 17.966  5.3986 1.6123   2.3928  18.289  7.7711 17.643  7.4959 0.6455536      10.79715 
1 1 1 23 27 18 o 19.983  5.7033 3.5458   2.4610  18.557  7.6032 21.409  8.5029 -2.851604      11.40650 
1 1 1 23 27 20 o 24.212  6.3324 7.4729   2.8127  23.162  8.2658 25.262  9.5956 -2.099985      12.66488 
1 1 1 23 27 22 o 30.003  7.4561 13.661   3.8377  30.079  11.512 29.928  9.4789 0.1504631      14.91225 
1 1 1 23 27 24 o 15.442  5.3718 -5.0303  3.1431  18.807  8.9769 12.078  5.9026 6.729032       10.74361 
1 1 1 23 28 1  o 15.751  5.2093 -4.3530  2.8681  16.675  7.7501 14.826  6.9629 1.848739       10.41852 
1 1 1 23 28 3  o 29.276  6.1212 9.5792   3.0555  22.075  9.0342 36.477  8.2621 -14.40279      12.24250 
1 1 1 23 28 5  o 27.122  5.7944 8.3744   2.5428  31.007  7.5152 23.236  8.8216 7.771564       11.58879 
1 1 1 23 28 7  f 39.471  5.3172 17.673   2.8551  39.031  7.8196 39.911  7.2072 -0.8802643     10.63439 
1 1 1 23 28 9  o 41.194  5.3555 19.780   2.9729  51.230  5.8600 31.158  8.9658 20.07239       10.71101 
1 1 1 23 28 11 o 20.968  6.2060 2.7582   3.0863  20.393  8.5995 21.543  8.9501 -1.149860      12.41195 
1 1 1 23 28 13 o 46.718  4.8299 25.759   2.9015  54.697  4.9608 38.738  8.2886 15.95914       9.659724 
1 1 1 23 28 15 o 21.767  5.9902 5.0064   2.6544  20.884  8.3121 22.650  8.6278 -1.765369      11.98039 
1 1 1 23 28 17 o 15.511  5.1860 -3.6507  2.9036  13.998  6.6836 17.024  7.9315 -3.026227      10.37206 
1 1 1 23 28 19 o 23.095  6.2262 6.6098   2.7994  22.687  8.4175 23.502  9.1765 -0.8153877     12.45236 
1 1 1 23 28 21 o 23.722  6.0213 7.8221   2.7865  27.245  8.3353 20.199  8.6917 7.046158       12.04254 
1 1 1 23 29 0  o 29.757  10.334 12.355   5.5423  29.757  10.334 ?       ?      0.000000       0.000000 
1 1 1 23 29 2  o 16.651  5.3786 -3.0707  2.9129  14.822  7.1027 18.480  8.0790 -3.658607      10.75727 
1 1 1 23 29 4  o 27.015  5.9244 8.0802   2.8277  33.739  8.2670 20.291  8.4882 13.44822       11.84880 
1 1 1 23 29 6  f 28.616  6.5038 9.9761   3.0175  25.204  8.9347 32.027  9.4534 -6.822723      13.00754 
1 1 1 23 29 8  o 46.692  4.9691 25.111   3.1398  39.878  7.8066 53.506  6.1502 -13.62859      9.938232 
1 1 1 23 29 10 o 38.828  5.8299 19.314   3.1490  47.148  6.1225 30.508  9.9230 16.64003       11.65977 
1 1 1 23 29 12 o 27.248  6.1345 9.4104   2.7134  24.557  8.7459 29.939  8.6044 -5.382065      12.26896 
1 1 1 23 29 14 o 38.809  5.4546 18.608   2.8820  39.752  7.2390 37.866  8.1612 1.886375       10.90911 
1 1 1 23 29 16 o 33.146  5.8322 14.433   3.1753  22.635  9.1191 43.657  7.2732 -21.02215      11.66441 
1 1 1 23 29 18 o 21.909  6.0105 4.6529   3.1727  27.097  9.0584 16.721  7.9024 10.37539       12.02094 
1 1 1 23 29 20 f 20.335  6.1487 3.7694   3.1585  17.784  7.9758 22.886  9.3601 -5.102194      12.29738 
1 1 1 23 30 1  o 23.044  5.9671 5.0405   2.9621  28.044  8.6297 18.045  8.2435 9.998314       11.93429 
1 1 1 23 30 3  o 34.428  6.1095 15.072   2.9729  33.814  8.7961 35.042  8.4814 -1.227772      12.21906 
1 1 1 23 30 5  o 51.981  4.1537 29.996   3.0307  55.309  5.4278 48.653  6.2891 6.656563       8.307459 
1 1 1 23 30 7  o 46.820  5.0791 25.637   3.1585  36.903  8.1942 56.736  6.0036 -19.83296      10.15813 
1 1 1 23 30 9  o 56.239  3.5796 34.561   2.7973  49.149  5.5207 63.329  4.5581 -14.17969      7.159259 
1 1 1 23 30 11 o 49.717  4.6643 28.930   3.2289  46.007  7.2781 53.426  5.8353 -7.418491      9.328515 
1 1 1 23 30 13 o 29.838  6.5408 12.167   2.9716  28.922  8.3296 30.754  10.087 -1.832993      13.08167 
1 1 1 23 30 15 o 26.757  6.1941 9.9908   3.1658  33.741  8.8050 19.773  8.7143 13.96794       12.38813 
1 1 1 23 30 17 o 21.244  5.9238 3.3368   3.1440  27.284  9.3262 15.205  7.3068 12.07878       11.84765 
1 1 1 23 31 0  o 46.048  8.8103 25.749   7.2743  46.048  8.8103 ?       ?      0.000000       0.000000 
1 1 1 23 31 2  o 32.445  6.2596 14.010   3.0668  25.628  8.9495 39.262  8.7543 -13.63464      12.51919 
1 1 1 23 31 4  o 32.750  6.4097 14.640   3.0755  33.941  8.5123 31.558  9.5852 2.383451       12.81939 
1 1 1 23 31 6  o 26.330  6.5892 9.5123   3.0884  24.685  9.2224 27.975  9.4138 -3.289894      13.17846 
1 1 1 23 31 8  o 22.742  6.5125 6.0440   3.2555  22.276  9.0106 23.207  9.4054 -0.9300900     13.02508 
1 1 1 23 31 10 o 19.988  6.0085 3.3093   3.0500  21.629  8.7027 18.348  8.2869 3.280752       12.01702 
1 1 1 23 31 12 o 23.684  6.1520 7.6715   2.8820  18.909  8.1277 28.459  9.2374 -9.549742      12.30406 
1 1 1 23 31 14 o 18.100  5.7032 1.2536   2.9691  18.333  7.8744 17.868  8.2523 0.4648399      11.40641 
1 1 1 23 32 1  o 15.554  5.2854 -5.4472  3.4348  14.515  7.0907 16.594  7.8400 -2.078751      10.57087 
1 1 1 23 32 3  o 21.399  6.0935 4.6380   3.0863  16.704  7.7025 26.095  9.4443 -9.390589      12.18701 
1 1 1 23 32 5  o 23.783  5.6960 4.1557   3.2039  13.496  6.6470 34.070  9.2518 -20.57482      11.39199 
1 1 1 23 32 7  o 18.262  5.8537 1.3856   3.2596  18.127  8.1984 18.396  8.3576 -0.2692223     11.70741 
1 1 1 23 32 9  o 18.012  5.7559 -0.0613  3.2596  20.317  8.7154 15.707  7.5209 4.609886       11.51186 
1 1 1 24 1  1  o 278.121 2.1583 774.372  8.4831  277.534 3.1203 278.708 2.9829 -1.174072      4.316665 
1 1 1 24 1  3  o 128.280 1.7345 161.234  2.9369  122.113 1.9384 134.447 2.8770 -12.33440      3.469082 
1 1 1 24 1  5  f 34.795  4.0700 12.355   1.8991  35.099  4.7700 34.491  6.5961 0.6081161      8.140100 
1 1 1 24 1  7  o 31.580  4.5971 10.613   1.8542  34.443  4.3581 28.718  8.0957 5.724051       9.194246 
1 1 1 24 1  9  o 203.202 1.8872 414.182  5.3719  206.113 2.4369 200.292 2.8824 5.820877       3.774473 
1 1 1 24 1  11 o 75.589  2.5352 59.202   2.4754  81.303  2.5563 69.876  4.3789 11.42650       5.070473 
1 1 1 24 1  13 o 159.169 1.9851 252.459  4.0971  157.654 2.0873 160.685 3.3773 -3.031143      3.970282 
1 1 1 24 1  15 o 23.263  5.9974 4.2994   2.2574  20.265  6.8987 26.261  9.8123 -5.995373      11.99470 
1 1 1 24 1  17 o 88.974  2.3845 80.839   2.8672  94.350  2.6923 83.599  3.9364 10.75162       4.769021 
1 1 1 24 1  19 o 38.325  4.8686 15.205   2.4930  39.486  5.5559 37.163  7.9965 2.322899       9.737164 
1 1 1 24 1  21 o 24.856  5.4681 4.0996   2.5143  15.101  6.8230 34.612  8.5466 -19.51056      10.93611 
1 1 1 24 1  23 f 66.692  2.9255 45.430   2.6321  70.111  3.2938 63.274  4.8358 6.836170       5.850966 
1 1 1 24 1  25 f 109.004 2.2635 118.078  3.3475  105.796 2.6739 112.211 3.6529 -6.414757      4.526985 
1 1 1 24 1  27 o 28.556  6.0078 8.0120   2.6909  21.882  8.1241 35.229  8.8529 -13.34666      12.01563 
1 1 1 24 1  29 o 63.842  3.3913 42.143   2.9258  67.890  3.8267 59.794  5.6000 8.096260       6.782649 
1 1 1 24 1  31 o 22.662  5.9269 3.7587   2.6938  25.899  8.3994 19.425  8.3642 6.474386       11.85374 
1 1 1 24 1  33 o 70.558  2.8346 50.312   2.7994  68.060  3.7323 73.056  4.2673 -4.995575      5.669243 
1 1 1 24 1  35 o 61.080  5.0365 40.290   3.0316  63.361  3.2802 58.799  9.5240 4.561272       10.07304 
1 1 1 24 1  37 o 27.531  6.5624 7.8971   2.9515  30.013  6.7101 25.048  11.280 4.964766       13.12479 
1 1 1 24 1  39 o 17.516  5.7813 -2.0136  2.9146  15.787  6.8140 19.245  9.3415 -3.457506      11.56257 
1 1 1 24 1  41 o 21.589  6.8120 4.0934   2.9371  15.594  6.7734 27.584  11.821 -11.98979      13.62391 
1 1 1 24 2  0  o 244.591 2.6207 598.684  12.817  244.591 2.6207 ?       ?      0.000000       0.000000 
1 1 1 24 2  2  o 218.370 1.7970 477.619  5.5423  211.959 2.6148 224.781 2.4656 -12.82236      3.593963 
1 1 1 24 2  4  o 159.692 1.6351 254.361  3.6804  153.878 2.2511 165.506 2.3720 -11.62785      3.270128 
1 1 1 24 2  6  o 191.556 1.9751 366.347  5.2053  189.730 2.4039 193.382 3.1347 -3.651962      3.950286 
1 1 1 24 2  8  o 156.568 2.1095 246.040  4.0971  157.298 2.0186 155.839 3.7046 1.459564       4.218903 
1 1 1 24 2  10 o 21.484  5.4350 3.7328   2.0404  18.146  6.8987 24.823  8.4004 -6.676937      10.87008 
1 1 1 24 2  12 o 70.790  2.6925 50.444   2.5123  71.554  2.9046 70.025  4.5345 1.529999       5.385026 
1 1 1 24 2  14 o 132.959 2.0080 177.719  3.4748  134.166 2.1085 131.753 3.4179 2.413559       4.015908 
1 1 1 24 2  16 o 25.699  5.6365 5.6849   2.3772  18.091  7.2802 33.308  8.6069 -15.21793      11.27303 
1 1 1 24 2  18 o 89.535  2.9302 81.787   3.0791  91.815  2.5152 87.255  5.2932 4.559731       5.860355 
1 1 1 24 2  20 o 78.022  2.4044 59.664   2.5540  72.481  2.9471 83.563  3.7999 -11.08226      4.808793 
1 1 1 24 2  22 o 52.658  3.8254 29.134   2.6147  58.039  3.8794 47.277  6.5942 10.76188       7.650706 
1 1 1 24 2  24 o 50.797  3.8902 25.419   2.6926  46.914  4.7993 54.679  6.1239 -7.764999      7.780450 
1 1 1 24 2  26 o 114.616 2.0252 131.508  3.2044  113.512 2.4921 115.720 3.1929 -2.207962      4.050372 
1 1 1 24 2  28 o 37.255  5.8287 15.064   3.0010  33.600  8.9454 40.909  7.4750 -7.309959      11.65745 
1 1 1 24 2  30 o 62.642  3.3520 39.517   2.9505  58.757  4.6181 66.528  4.8596 -7.771061      6.703929 
1 1 1 24 2  32 o 71.193  2.8729 50.389   2.7712  75.286  4.6011 67.101  3.4415 8.184967       5.745768 
1 1 1 24 2  34 o 36.799  6.0338 15.358   3.0863  34.250  8.7360 39.349  8.3253 -5.099144      12.06767 
1 1 1 24 2  36 o 23.072  6.2714 4.3991   2.7643  18.022  7.5150 28.122  10.042 -10.10053      12.54274 
1 1 1 24 2  38 o 15.677  5.1876 -2.7700  2.6926  13.901  6.5071 17.453  8.0809 -3.551957      10.37511 
1 1 1 24 2  40 o 25.997  6.2126 9.0279   2.7279  27.069  8.2291 24.925  9.3096 2.144617       12.42528 
1 1 1 24 2  42 o 20.097  6.1762 3.7131   2.9626  18.162  7.5405 22.032  9.7839 -3.870356      12.35248 
1 1 1 24 3  1  o 283.561 2.1417 805.987  8.5685  289.086 2.8957 278.037 3.1562 11.04947       4.283307 
1 1 1 24 3  3  o 170.965 1.6940 291.304  4.0787  177.964 2.4655 163.967 2.3238 13.99670       3.388036 
1 1 1 24 3  5  o 93.786  1.7193 88.013   2.2801  94.986  2.4312 92.587  2.4318 2.398872       3.438681 
1 1 1 24 3  7  o 45.787  3.0352 20.947   1.9561  49.185  4.2256 42.389  4.3583 6.795952       6.070494 
1 1 1 24 3  9  o 235.556 1.9046 555.991  6.2033  236.660 2.3419 234.453 3.0042 2.207138       3.809121 
1 1 1 24 3  11 o 273.484 2.2119 748.788  8.2583  273.269 2.6197 273.699 3.5648 -0.4298706     4.423850 
1 1 1 24 3  13 f 118.548 1.9368 142.311  3.1081  122.755 2.2104 114.342 3.1809 8.413063       3.873548 
1 1 1 24 3  15 f 117.464 2.4832 137.261  3.2856  116.439 2.0328 118.490 4.5313 -2.051155      4.966379 
1 1 1 24 3  17 o 96.131  2.0912 92.058   2.7712  94.172  2.5748 98.091  3.2959 -3.919472      4.182444 
1 1 1 24 3  19 o 123.148 1.9953 151.881  3.2653  123.054 2.2051 123.242 3.3260 -0.1871567     3.990538 
1 1 1 24 3  21 o 92.890  2.2660 86.118   2.9393  90.495  2.9346 95.285  3.4536 -4.789604      4.532033 
1 1 1 24 3  23 o 117.458 2.1468 138.143  3.5109  116.753 2.7197 118.163 3.3223 -1.410904      4.293542 
1 1 1 24 3  25 o 113.722 1.8001 129.944  2.8855  110.162 2.6727 117.281 2.4121 -7.118858      3.600210 
1 1 1 24 3  27 o 48.836  3.6797 24.194   2.5389  48.643  5.3408 49.030  5.0633 -0.3862305     7.359407 
1 1 1 24 3  29 o 22.510  5.6157 4.5753   2.1650  22.379  8.8073 22.640  6.9696 -0.2603836     11.23139 
1 1 1 24 3  31 o 56.639  3.5648 32.555   2.8435  59.517  5.1411 53.761  4.9398 5.755634       7.129652 
1 1 1 24 3  33 o 62.232  3.0869 39.513   2.7122  61.278  4.5222 63.185  4.2030 -1.906807      6.173833 
1 1 1 24 3  35 f 24.883  6.1565 6.3650   2.5980  25.017  7.6214 24.748  9.6708 0.2691479      12.31299 
1 1 1 24 3  37 o 20.061  5.5422 3.4639   2.2625  19.641  7.5308 20.480  8.1334 -0.8390789     11.08448 
1 1 1 24 3  39 o 46.858  4.4210 25.488   2.5754  52.060  4.2140 41.655  7.7732 10.40479       8.841951 
1 1 1 24 3  41 o 18.047  5.3954 2.0679   2.5192  20.204  7.8960 15.890  7.3550 4.314115       10.79081 
1 1 1 24 4  0  o 78.518  2.6536 61.889   4.1567  78.518  2.6536 ?       ?      0.000000       0.000000 
1 1 1 24 4  2  o 177.385 1.6909 314.245  4.2337  183.140 2.4273 171.631 2.3546 11.50900       3.381732 
1 1 1 24 4  4  o 111.578 1.6469 124.532  2.5967  114.991 2.3095 108.164 2.3485 6.826347       3.293787 
1 1 1 24 4  6  o 205.201 1.7308 420.906  5.0121  208.359 2.5214 202.043 2.3717 6.315506       3.461568 
1 1 1 24 4  8  o 209.279 1.8631 438.363  5.5133  211.816 2.6166 206.742 2.6529 5.073990       3.726139 
1 1 1 24 4  10 o 206.509 1.7015 426.914  4.9589  207.199 2.3126 205.818 2.4965 1.381729       3.403037 
1 1 1 24 4  12 o 58.526  5.3478 31.591   2.8680  53.787  3.4347 63.266  10.129 -9.478764      10.69568 
1 1 1 24 4  14 o 175.928 1.8624 311.725  4.4724  179.547 2.1865 172.309 3.0155 7.237579       3.724754 
1 1 1 24 4  16 o 164.140 2.2151 273.135  4.9106  170.074 2.5120 158.207 3.6492 11.86699       4.430169 
1 1 1 24 4  18 o 103.833 2.2597 108.922  3.2044  106.726 2.6506 100.940 3.6605 5.786179       4.519364 
1 1 1 24 4  20 o 95.146  1.9524 89.349   2.5554  100.333 3.0497 89.960  2.4387 10.37283       3.904811 
1 1 1 24 4  22 o 97.579  1.9662 95.396   2.7122  96.726  2.7456 98.433  2.8153 -1.706741      3.932428 
1 1 1 24 4  24 o 111.117 1.8741 123.701  2.9398  111.989 2.7322 110.244 2.5660 1.745300       3.748273 
1 1 1 24 4  26 o 58.478  3.1831 34.813   2.5980  52.998  4.9020 63.957  4.0620 -10.95854      6.366268 
1 1 1 24 4  28 o 80.902  2.4031 65.788   2.7177  81.775  3.6712 80.029  3.1020 1.745949       4.806213 
1 1 1 24 4  30 o 107.680 2.0317 116.505  3.0755  107.314 2.6899 108.045 3.0457 -0.7302933     4.063468 
1 1 1 24 4  32 f 56.267  3.3716 32.494   2.6243  55.257  5.3284 57.276  4.1327 -2.018593      6.743234 
1 1 1 24 4  34 o 18.119  5.6604 -0.8572  2.8575  17.567  7.8873 18.671  8.1209 -1.104692      11.32074 
1 1 1 24 4  36 f 69.882  3.2614 51.735   2.9697  73.574  3.3741 66.190  5.5822 7.383934       6.522715 
1 1 1 24 4  38 o 33.647  5.7568 13.983   2.6692  33.303  7.3067 33.990  8.8981 -0.6865807     11.51367 
1 1 1 24 4  40 o 24.407  5.7350 7.3897   2.5732  28.811  7.6749 20.003  8.5239 8.808605       11.46996 
1 1 1 24 5  1  o 204.231 1.6091 417.310  4.6458  205.472 2.3040 202.990 2.2468 2.482361       3.218173 
1 1 1 24 5  3  o 270.362 2.0405 732.269  7.7900  273.668 2.7846 267.056 2.9833 6.611542       4.080963 
1 1 1 24 5  5  o 205.595 1.6380 422.857  4.7613  208.344 2.3276 202.846 2.3054 5.498611       3.276061 
1 1 1 24 5  7  o 182.361 1.8356 332.784  4.7333  184.607 2.5957 180.115 2.5963 4.491730       3.671277 
1 1 1 24 5  9  o 174.080 1.6712 304.041  4.0917  178.165 2.2035 169.995 2.5131 8.169846       3.342314 
1 1 1 24 5  11 o 142.122 1.9817 201.978  3.9760  144.674 2.8732 139.570 2.7300 5.103592       3.963356 
1 1 1 24 5  13 o 124.672 1.6856 155.072  2.9595  128.393 2.4731 120.952 2.2911 7.440910       3.371269 
1 1 1 24 5  15 o 195.904 3.7020 385.813  8.4906  196.318 3.2054 195.490 6.6743 0.8287201      7.404085 
1 1 1 24 5  17 o 251.130 2.0325 631.102  7.1999  248.402 2.7657 253.857 2.9792 -5.455154      4.065089 
1 1 1 24 5  19 f 183.143 1.8276 335.796  4.7312  186.729 2.5971 179.557 2.5722 7.171951       3.655288 
1 1 1 24 5  21 f 233.573 1.9578 546.618  6.4640  239.002 2.7537 228.145 2.7836 10.85693       3.915520 
1 1 1 24 5  23 o 178.419 1.8197 318.933  4.5852  178.748 2.6485 178.091 2.4961 0.6571350      3.639368 
1 1 1 24 5  25 o 52.693  3.4346 28.666   2.4610  48.209  5.6284 57.176  3.9379 -8.967358      6.869238 
1 1 1 24 5  27 o 116.189 2.0913 135.588  3.4290  117.009 3.0591 115.368 2.8524 1.641335       4.182583 
1 1 1 24 5  29 o 111.103 1.8564 123.516  2.8923  113.840 2.7893 108.367 2.4506 5.472137       3.712891 
1 1 1 24 5  31 o 67.338  3.1894 46.463   2.9976  63.053  4.9443 71.623  4.0303 -8.569435      6.378831 
1 1 1 24 5  33 o 56.430  3.4295 32.277   2.7055  61.524  4.9734 51.335  4.7234 10.18845       6.858910 
1 1 1 24 5  35 o 25.177  6.1877 6.7318   2.6256  25.095  7.7431 25.260  9.6537 -0.1656055     12.37538 
1 1 1 24 5  37 f 20.518  5.7805 2.6122   2.7071  22.497  7.7844 18.540  8.5476 3.956848       11.56103 
1 1 1 24 5  39 o 26.334  6.1019 8.9390   2.6011  24.074  8.2027 28.594  9.0359 -4.520533      12.20376 
1 1 1 24 5  41 o 15.719  5.2702 -2.8586  2.8496  11.968  5.8616 19.469  8.7603 -7.500614      10.54045 
1 1 1 24 6  0  o 295.287 2.9138 872.681  17.204  295.287 2.9138 ?       ?      0.000000       0.000000 
1 1 1 24 6  2  o 361.524 2.4964 1309.46  12.759  366.038 3.4699 357.010 3.5900 9.027863       4.992801 
1 1 1 24 6  4  f 194.786 1.6771 379.665  4.6179  199.171 2.3479 190.402 2.3954 8.769608       3.354171 
1 1 1 24 6  6  o 191.128 1.6128 365.381  4.3540  192.544 2.3387 189.713 2.2215 2.831070       3.225641 
1 1 1 24 6  8  o 219.015 1.8362 480.036  5.6853  223.467 2.5835 214.564 2.6100 8.903320       3.672371 
1 1 1 24 6  10 o 205.501 1.8890 423.055  5.4821  208.090 2.5802 202.912 2.7598 5.178574       3.778098 
1 1 1 24 6  12 o 61.930  2.9200 38.641   2.5350  59.546  4.4599 64.315  3.7701 -4.768463      5.839901 
1 1 1 24 6  14 o 112.070 2.1915 126.424  3.3941  109.731 3.4724 114.408 2.6745 -4.676010      4.382981 
1 1 1 24 6  16 o 119.570 1.9573 143.254  3.1697  119.348 3.1926 119.791 2.2651 -0.4427719     3.914536 
1 1 1 24 6  18 o 76.962  2.4103 59.572   2.4754  76.358  4.0072 77.565  2.6795 -1.207550      4.820511 
1 1 1 24 6  20 o 48.454  3.8761 24.416   2.5389  56.088  4.4260 40.820  6.3644 15.26845       7.752123 
1 1 1 24 6  22 o 36.091  4.5106 13.176   2.1983  38.182  7.0699 34.000  5.6035 4.182037       9.021233 
1 1 1 24 6  24 o 45.481  4.2241 20.975   2.7122  43.463  6.1102 47.498  5.8342 -4.034996      8.448248 
1 1 1 24 6  26 o 16.171  4.9797 -0.5321  2.0799  16.966  7.4868 15.377  6.5678 1.589135       9.959377 
1 1 1 24 6  28 o 22.287  5.8227 3.5409   2.5967  18.542  7.9629 26.031  8.4975 -7.488501      11.64540 
1 1 1 24 6  30 o 29.137  5.9922 8.9999   2.5884  32.034  8.8858 26.239  8.0417 5.794594       11.98444 
1 1 1 24 6  32 o 55.823  3.6254 32.057   2.8575  57.235  4.9426 54.412  5.3052 2.823425       7.250774 
1 1 1 24 6  34 o 64.340  3.1672 42.365   2.7921  65.018  5.0613 63.662  3.8088 1.355927       6.334302 
1 1 1 24 6  36 o 27.642  5.7926 8.4717   2.5298  21.069  7.9033 34.215  8.4709 -13.14538      11.58525 
1 1 1 24 6  38 o 14.847  4.8931 -2.8521  2.5031  14.140  6.6284 15.554  7.1996 -1.413756      9.786209 
1 1 1 24 6  40 o 24.562  5.7367 7.4741   2.5662  19.313  8.1134 29.811  8.1125 -10.49800      11.47340 
1 1 1 24 7  1  o 239.490 1.8152 573.731  6.1451  243.704 2.5822 235.276 2.5520 8.427948       3.630432 
1 1 1 24 7  3  o 199.548 1.8001 398.320  5.0778  203.088 2.5584 196.007 2.5331 7.080887       3.600282 
1 1 1 24 7  5  o 146.301 1.6203 214.157  3.3395  146.493 2.4040 146.109 2.1732 0.3842163      3.240690 
1 1 1 24 7  7  o 43.629  3.2415 19.087   1.9880  39.995  4.7635 47.262  4.3975 -7.266373      6.482970 
1 1 1 24 7  9  o 185.276 1.9312 343.281  5.0237  186.709 2.9066 183.842 2.5437 2.866867       3.862427 
1 1 1 24 7  11 o 159.199 1.8226 252.521  3.8796  161.072 3.0108 157.326 2.0550 3.746353       3.645217 
1 1 1 24 7  13 o 110.640 1.8108 122.325  2.8100  111.960 2.7329 109.319 2.3765 2.641129       3.621696 
1 1 1 24 7  15 o 74.761  2.0300 55.489   1.9929  76.203  3.4093 73.320  2.2047 2.882843       4.060051 
1 1 1 24 7  17 o 17.471  5.2964 -0.0770  2.2580  18.618  8.0667 16.323  6.8654 2.294977       10.59271 
1 1 1 24 7  19 o 259.094 2.5960 671.582  8.3630  260.322 4.5463 257.866 2.5075 2.456146       5.191998 
1 1 1 24 7  21 o 213.095 2.2508 454.144  6.2290  214.176 3.8277 212.013 2.3691 2.163895       4.501506 
1 1 1 24 7  23 f 54.315  3.2855 29.700   2.3966  54.399  5.4125 54.232  3.7259 0.1663055      6.570984 
1 1 1 24 7  25 o 24.508  6.3179 5.1093   2.8762  23.204  9.0847 25.813  8.7824 -2.608582      12.63581 
1 1 1 24 7  27 o 95.167  2.5336 90.698   3.3583  92.194  3.2563 98.140  3.8825 -5.946449      5.067300 
1 1 1 24 7  29 o 117.550 2.3995 139.240  3.9760  118.054 3.2276 117.046 3.5514 1.007721       4.798921 
1 1 1 24 7  31 o 68.008  2.9733 47.065   2.8575  68.996  4.1001 67.020  4.3071 1.976021       5.946601 
1 1 1 24 7  33 o 45.447  4.8121 21.936   3.0863  43.176  6.9530 47.718  6.6543 -4.541126      9.624168 
1 1 1 24 7  35 o 36.813  6.3987 16.077   3.3395  32.095  9.3353 41.530  8.7536 -9.434650      12.79738 
1 1 1 24 7  37 o 29.914  6.7363 11.877   3.2018  29.300  9.4038 30.528  9.6477 -1.228693      13.47258 
1 1 1 24 7  39 f 42.498  5.8767 23.083   3.4052  42.006  8.2659 42.991  8.3556 -0.9847679     11.75331 
1 1 1 24 7  41 o 27.034  6.3510 10.175   3.3653  19.841  8.8486 34.227  9.1127 -14.38616      12.70198 
1 1 1 24 8  0  o 120.770 2.2964 146.063  5.5423  120.770 2.2964 ?       ?      0.000000       0.000000 
1 1 1 24 8  2  o 65.811  2.2754 43.530   2.1068  69.014  3.0115 62.607  3.4119 6.406395       4.550848 
1 1 1 24 8  4  o 240.706 1.9357 580.465  6.5769  237.773 2.8408 243.639 2.6302 -5.865646      3.871483 
1 1 1 24 8  6  o 161.393 1.8281 260.103  4.1054  163.253 2.8291 159.533 2.3161 3.719879       3.656213 
1 1 1 24 8  8  o 196.678 1.8674 383.389  4.9280  201.804 3.0611 191.553 2.1399 10.25104       3.734862 
1 1 1 24 8  10 o 158.884 1.7509 252.021  3.8026  160.225 2.8105 157.544 2.0888 2.680405       3.501704 
1 1 1 24 8  12 o 85.506  2.3123 73.497   2.7411  84.173  3.6351 86.838  2.8588 -2.665131      4.624577 
1 1 1 24 8  14 o 18.745  5.0722 2.2862   1.8012  21.667  7.9418 15.822  6.3116 5.845046       10.14442 
1 1 1 24 8  16 o 25.947  5.4212 6.5628   1.9473  29.047  8.7907 22.848  6.3467 6.198454       10.84243 
1 1 1 24 8  18 o 149.392 1.8632 224.450  3.8488  146.965 2.9462 151.818 2.2816 -4.853226      3.726402 
1 1 1 24 8  20 o 203.152 1.8466 414.520  5.1769  201.102 2.9282 205.201 2.2508 -4.099442      3.693282 
1 1 1 24 8  22 o 18.754  5.3899 0.8083   2.2323  18.247  8.3080 19.260  6.8689 -1.012867      10.77983 
1 1 1 24 8  24 o 68.860  2.6825 46.450   2.4427  73.113  4.4219 64.608  3.0382 8.505135       5.365092 
1 1 1 24 8  26 o 111.405 2.1678 127.030  3.0756  107.333 3.7652 115.477 2.1498 -8.143318      4.335657 
1 1 1 24 8  28 o 63.371  3.4483 39.762   2.4350  65.075  6.2989 61.667  2.8086 3.407681       6.896691 
1 1 1 24 8  30 o 69.664  3.2823 47.731   2.7839  73.089  5.7662 66.239  3.1377 6.849632       6.564628 
1 1 1 24 8  32 o 19.222  5.7402 1.1236   2.5948  20.252  8.7024 18.192  7.4880 2.059921       11.48046 
1 1 1 24 8  34 o 40.732  6.4716 19.631   3.3548  37.003  11.549 44.462  5.8430 -7.459827      12.94329 
1 1 1 24 8  36 o 57.549  4.1138 35.750   3.3445  56.605  5.7116 58.492  5.9220 -1.887829      8.227530 
1 1 1 24 8  38 f 17.794  5.6786 -0.4651  3.0668  18.479  8.0786 17.108  7.9825 1.370077       11.35713 
1 1 1 24 8  40 o 21.994  6.2632 6.3808   3.0280  22.848  8.5808 21.141  9.1257 1.707867       12.52635 
1 1 1 24 9  1  o 180.535 1.6854 326.265  4.3009  184.483 2.3471 176.586 2.4193 7.896637       3.370730 
1 1 1 24 9  3  o 90.130  1.7986 81.129   2.2713  99.604  2.4344 80.655  2.6484 18.94907       3.597281 
1 1 1 24 9  5  o 129.694 1.6669 168.347  2.8911  129.674 2.7603 129.714 1.8693 -0.4051208E-01 3.333709 
1 1 1 24 9  7  o 145.618 1.7179 210.383  3.3437  148.844 2.8315 142.393 1.9461 6.450668       3.435787 
1 1 1 24 9  9  o 180.304 1.7954 323.110  4.3774  183.938 2.9190 176.670 2.0914 7.267807       3.590877 
1 1 1 24 9  11 o 185.164 1.8374 342.353  4.5538  186.401 3.0353 183.926 2.0717 2.474426       3.674864 
1 1 1 24 9  13 o 132.933 2.2845 173.004  3.6949  137.694 4.0251 128.171 2.1621 9.523239       4.569002 
1 1 1 24 9  15 o 217.384 1.9694 470.178  5.8243  221.912 3.1739 212.857 2.3325 9.054321       3.938861 
1 1 1 24 9  17 o 52.244  3.5097 26.925   2.4261  54.651  5.8101 49.837  3.9386 4.813416       7.019302 
1 1 1 24 9  19 o 74.251  2.8080 56.979   2.4867  70.858  5.0515 77.643  2.4537 -6.784981      5.615913 
1 1 1 24 9  21 o 70.225  2.7248 47.694   2.4583  75.352  4.5970 65.098  2.9266 10.25418       5.449545 
1 1 1 24 9  23 o 93.706  2.5672 89.320   2.9691  91.722  4.5319 95.690  2.4133 -3.968727      5.134392 
1 1 1 24 9  25 o 148.939 1.9425 220.791  3.7862  151.704 3.2728 146.174 2.0933 5.530197       3.884970 
1 1 1 24 9  27 o 76.171  3.0026 59.324   2.7810  74.602  5.3397 77.740  2.7477 -3.138786      6.005238 
1 1 1 24 9  29 o 26.188  6.0055 6.8268   2.5980  23.870  9.5627 28.506  7.2676 -4.636177      12.01091 
1 1 1 24 9  31 o 21.359  6.1402 2.5426   2.6125  25.407  9.9753 17.311  7.1626 8.096384       12.28046 
1 1 1 24 9  33 o 69.410  2.9571 48.180   2.6452  72.526  5.0149 66.294  3.1351 6.231812       5.914235 
1 1 1 24 9  35 o 78.793  3.0677 63.781   2.9980  79.461  5.3764 78.125  2.9559 1.336411       6.135419 
1 1 1 24 9  37 o 33.448  5.5682 13.685   2.5302  30.856  9.5270 36.040  5.7668 -5.183916      11.13638 
1 1 1 24 9  39 o 26.277  5.7942 9.0062   2.6326  21.659  9.0619 30.895  7.2230 -9.236319      11.58831 
1 1 1 24 10 0  o 326.270 3.1680 1065.62  20.668  326.270 3.1680 ?       ?      0.000000       0.000000 
1 1 1 24 10 2  o 340.611 2.7809 1163.15  13.053  340.171 4.4126 341.051 3.3856 -0.8800049     5.561745 
1 1 1 24 10 4  o 197.469 1.8273 390.320  4.9485  197.457 2.9238 197.482 2.1926 -0.2552795E-01 3.654574 
1 1 1 24 10 6  o 102.191 1.9127 105.009  2.5477  101.178 3.2524 103.203 2.0139 -2.025162      3.825428 
1 1 1 24 10 8  o 67.971  2.4718 45.446   2.1810  70.528  4.1747 65.413  2.6477 5.114212       4.943572 
1 1 1 24 10 10 o 115.047 1.9549 131.625  3.1238  118.590 3.0183 111.505 2.4852 7.085594       3.909797 
1 1 1 24 10 12 o 104.832 2.2053 109.595  3.2187  107.123 3.3953 102.541 2.8151 4.581978       4.410516 
1 1 1 24 10 14 o 24.860  5.3657 5.9528   1.9757  29.032  8.3193 20.688  6.7787 8.343552       10.73130 
1 1 1 24 10 16 o 94.227  2.2396 87.923   2.7071  96.460  3.8304 91.994  2.3220 4.466331       4.479284 
1 1 1 24 10 18 o 138.080 1.8153 189.065  3.4072  142.340 2.9203 133.820 2.1571 8.520355       3.630564 
1 1 1 24 10 20 f 82.262  2.4707 64.674   2.5775  89.537  4.1911 74.987  2.6177 14.54999       4.941425 
1 1 1 24 10 22 o 44.373  3.6360 19.831   2.2625  45.436  5.4637 43.310  4.7988 2.125942       7.271907 
1 1 1 24 10 24 o 83.705  2.2627 71.675   2.5351  79.534  3.7746 87.875  2.4965 -8.341026      4.525486 
1 1 1 24 10 26 o 64.375  3.3590 40.998   2.6680  66.866  5.8711 61.884  3.2652 4.981972       6.717972 
1 1 1 24 10 28 o 40.643  5.2950 18.124   2.5005  37.407  9.6590 43.879  4.3419 -6.471752      10.58998 
1 1 1 24 10 30 o 37.187  5.6321 14.101   2.4698  39.885  9.9977 34.489  5.1891 5.395561       11.26417 
1 1 1 24 10 32 o 46.498  4.6637 21.995   2.7668  49.512  7.9289 43.484  4.9123 6.028004       9.327306 
1 1 1 24 10 34 o 24.488  6.4743 4.9914   2.5226  32.283  11.020 16.694  6.7990 15.58934       12.94861 
1 1 1 24 10 36 o 25.266  5.5952 7.7541   2.1923  27.091  8.3450 23.441  7.4557 3.649916       11.19040 
1 1 1 24 10 38 o 23.112  5.6213 6.3480   2.4520  19.539  8.5121 26.686  7.3444 -7.146412      11.24257 
1 1 1 24 10 40 o 41.496  5.1892 21.250   2.6298  39.583  9.2081 43.410  4.7878 -3.826679      10.37842 
1 1 1 24 11 1  o 160.563 1.6582 259.754  3.6047  157.288 2.7161 163.837 1.9028 -6.548080      3.316361 
1 1 1 24 11 3  o 199.037 1.7445 399.496  4.8055  192.348 2.7613 205.726 2.1328 -13.37704      3.489074 
1 1 1 24 11 5  o 89.792  2.1448 80.060   2.4750  91.270  3.6688 88.313  2.2226 2.956665       4.289509 
1 1 1 24 11 7  o 78.270  2.1980 61.559   2.3371  77.475  3.5768 79.064  2.5557 -1.588631      4.396031 
1 1 1 24 11 9  o 87.479  2.1506 76.217   2.4427  88.500  3.6531 86.458  2.2703 2.042297       4.301118 
1 1 1 24 11 11 f 147.719 2.2119 218.848  4.5373  147.006 3.4559 148.433 2.7615 -1.427521      4.423742 
1 1 1 24 11 13 o 139.143 1.7676 193.322  3.3281  140.330 2.8798 137.956 2.0506 2.374100       3.535279 
1 1 1 24 11 15 o 88.412  2.3554 75.253   2.5529  94.137  4.1090 82.687  2.3041 11.44962       4.710872 
1 1 1 24 11 17 o 45.365  3.7952 20.195   2.2873  48.267  6.2197 42.462  4.3508 5.805107       7.590356 
1 1 1 24 11 19 o 30.808  5.1559 10.246   2.2580  25.486  8.8617 36.131  5.2730 -10.64514      10.31184 
1 1 1 24 11 21 o 60.436  3.2821 38.796   2.4940  53.897  5.7843 66.974  3.1032 -13.07753      6.564125 
1 1 1 24 11 23 o 53.912  3.5877 28.896   2.4906  55.815  6.1027 52.010  3.7741 3.804630       7.175430 
1 1 1 24 11 25 o 129.324 2.1538 169.536  3.6135  127.038 3.6810 131.610 2.2372 -4.572136      4.307557 
1 1 1 24 11 27 o 65.376  3.2651 45.107   2.6140  60.492  5.8218 70.260  2.9581 -9.768490      6.530170 
1 1 1 24 11 29 o 88.514  2.8910 78.939   2.9326  89.134  5.2464 87.893  2.4303 1.241310       5.781943 
1 1 1 24 11 31 f 39.671  5.7598 17.187   2.6666  39.066  10.438 40.276  4.8736 -1.210293      11.51964 
1 1 1 24 11 33 o 17.343  5.6357 -1.2679  2.5125  20.616  9.3687 14.071  6.2666 6.544786       11.27135 
1 1 1 24 11 35 o 24.887  6.7076 5.7712   2.7549  33.053  11.445 16.722  6.9977 16.33065       13.41511 
1 1 1 24 11 37 o 32.351  5.2127 12.670   2.2530  31.378  8.8292 33.323  5.5440 -1.945354      10.42550 
1 1 1 24 11 39 o 24.344  5.9712 8.1064   2.3650  27.232  9.4059 21.455  7.3585 5.776972       11.94234 
1 1 1 24 12 0  o 57.874  3.2130 33.831   3.6949  57.874  3.2130 ?       ?      0.000000       0.000000 
1 1 1 24 12 2  o 79.848  2.0444 62.729   2.2386  84.672  3.2046 75.023  2.5394 9.648949       4.088790 
1 1 1 24 12 4  o 127.719 1.8243 163.850  3.1299  126.540 3.0112 128.897 2.0603 -2.356873      3.648560 
1 1 1 24 12 6  o 229.436 1.9532 526.492  6.1010  230.278 3.1589 228.593 2.2982 1.685272       3.906484 
1 1 1 24 12 8  o 145.842 1.6905 209.892  3.3254  151.591 2.7421 140.093 1.9781 11.49731       3.381085 
1 1 1 24 12 10 f 68.225  2.8122 46.746   2.6321  67.982  4.5009 68.469  3.3728 -0.4865341     5.624391 
1 1 1 24 12 12 o 240.281 2.1497 578.500  7.2083  240.685 3.3102 239.878 2.7437 0.8065338      4.299412 
1 1 1 24 12 14 o 159.191 1.9097 251.560  4.0546  162.878 3.1546 155.505 2.1533 7.373993       3.819453 
1 1 1 24 12 16 o 63.189  2.3830 40.349   2.0973  60.572  3.7172 65.807  2.9828 -5.234997      4.765971 
1 1 1 24 12 18 o 191.760 1.8891 369.003  5.0961  189.481 2.8336 194.039 2.4992 -4.557892      3.778284 
1 1 1 24 12 20 o 97.561  2.1551 96.812   2.7035  94.819  3.7141 100.302 2.1872 -5.483223      4.310262 
1 1 1 24 12 22 o 30.286  6.1438 9.5756   2.6042  29.225  10.439 31.346  6.4820 -2.120642      12.28767 
1 1 1 24 12 24 o 44.453  4.4387 19.731   2.5208  46.483  7.5762 42.423  4.6270 4.060448       8.877375 
1 1 1 24 12 26 o 65.426  3.1604 43.845   2.5354  63.930  5.5990 66.923  2.9331 -2.993343      6.320719 
1 1 1 24 12 28 o 73.169  3.1799 54.384   2.7712  73.012  5.6932 73.327  2.8344 -0.3149490     6.359747 
1 1 1 24 12 30 o 44.722  5.1191 20.856   2.7450  46.428  9.0264 43.017  4.8315 3.411274       10.23818 
1 1 1 24 12 32 f 19.256  5.8035 1.4687   2.3278  21.355  9.5295 17.156  6.6264 4.199120       11.60693 
1 1 1 24 12 34 o 28.522  6.4537 9.5280   2.6899  28.745  10.862 28.299  6.9724 0.4460926      12.90736 
1 1 1 24 12 36 o 23.194  5.9138 6.4302   2.4712  23.087  8.8051 23.300  7.8969 -0.2128792     11.82758 
1 1 1 24 12 38 o 14.845  4.7931 -2.6864  2.3990  13.941  6.9137 15.748  6.6403 -1.806822      9.586103 
1 1 1 24 13 1  o 15.015  4.7388 -1.9629  2.0784  16.234  7.0092 13.795  6.3794 2.438311       9.477603 
1 1 1 24 13 3  o 75.893  1.8557 57.662   1.9913  76.462  2.6426 75.324  2.6059 1.138252       3.711403 
1 1 1 24 13 5  o 94.278  2.0100 88.685   2.4132  94.915  3.4670 93.640  2.0346 1.275215       4.019917 
1 1 1 24 13 7  o 17.269  5.1310 0.4775   2.0596  18.103  7.7814 16.436  6.6902 1.666985       10.26200 
1 1 1 24 13 9  o 66.667  2.6405 43.404   2.3482  71.117  4.3025 62.216  3.0622 8.901756       5.280945 
1 1 1 24 13 11 o 80.357  2.4659 64.809   2.7122  80.177  3.9603 80.537  2.9391 -0.3596039     4.931773 
1 1 1 24 13 13 o 30.307  5.0537 9.6959   2.0971  29.619  7.9985 30.995  6.1794 -1.375368      10.10746 
1 1 1 24 13 15 f 110.299 2.2970 123.904  3.1557  107.210 4.0387 113.389 2.1894 -6.178925      4.593975 
1 1 1 24 13 17 o 100.598 2.3625 106.977  2.8920  91.427  4.2308 109.770 2.1038 -18.34232      4.724952 
1 1 1 24 13 19 o 120.257 2.1441 148.745  3.2753  114.353 3.7360 126.162 2.1050 -11.80844      4.288162 
1 1 1 24 13 21 o 90.707  2.3880 85.012   2.7894  85.325  4.1274 96.089  2.4033 -10.76426      4.776095 
1 1 1 24 13 23 o 40.030  5.2411 15.992   2.4471  42.644  9.3270 37.415  4.7834 5.229282       10.48211 
1 1 1 24 13 25 o 51.942  4.0465 25.669   2.5357  57.276  7.0558 46.609  3.9637 10.66692       8.092904 
1 1 1 24 13 27 o 18.448  5.9127 -1.2831  2.5899  23.005  10.027 13.892  6.2697 9.113146       11.82545 
1 1 1 24 13 29 o 58.134  4.2380 35.609   2.8608  56.296  7.6914 59.972  3.5618 -3.676041      8.476076 
1 1 1 24 13 31 o 24.480  6.2859 5.5329   2.6775  23.824  10.302 25.135  7.2053 -1.311390      12.57184 
1 1 1 24 13 33 o 22.259  5.7903 3.9016   2.5688  19.860  9.1457 24.658  7.1041 -4.797966      11.58070 
1 1 1 24 13 35 o 22.142  6.4381 4.1821   2.6567  27.952  10.892 16.333  6.8672 11.61932       12.87612 
1 1 1 24 13 37 o 17.373  5.0359 -0.2373  2.4286  14.036  6.9041 20.710  7.3332 -6.674168      10.07190 
1 1 1 24 14 0  f 64.554  3.2369 42.029   4.1567  64.554  3.2369 ?       ?      0.000000       0.000000 
1 1 1 24 14 2  o 78.576  2.1788 61.361   2.4028  83.630  3.1755 73.521  2.9840 10.10975       4.357502 
1 1 1 24 14 4  o 51.640  2.6248 27.182   1.8723  46.993  4.1770 56.286  3.1796 -9.293240      5.249505 
1 1 1 24 14 6  o 107.031 1.8524 115.190  2.7279  105.445 2.9566 108.617 2.2324 -3.172363      3.704710 
1 1 1 24 14 8  o 176.566 2.0500 309.487  4.9125  181.467 3.3087 171.664 2.4214 9.803726       4.100077 
1 1 1 24 14 10 o 78.013  2.2494 60.541   2.4489  81.281  3.4093 74.745  2.9351 6.535889       4.498705 
1 1 1 24 14 12 o 18.559  5.5365 0.1475   2.4697  18.394  8.2651 18.724  7.3687 -0.3299141     11.07294 
1 1 1 24 14 14 o 43.289  3.9310 17.512   2.1553  49.298  6.5581 37.281  4.3360 12.01724       7.861947 
1 1 1 24 14 16 o 15.208  4.9288 -2.7954  2.2352  17.301  7.7860 13.115  6.0456 4.185250       9.857593 
1 1 1 24 14 18 o 16.437  4.9942 -1.1889  2.1810  15.486  7.2894 17.388  6.8288 -1.902152      9.988334 
1 1 1 24 14 20 f 55.544  3.3632 30.828   2.3664  56.670  5.8068 54.418  3.3949 2.252483       6.726407 
1 1 1 24 14 22 o 33.447  6.0185 10.867   2.6546  42.242  9.4022 24.653  7.5156 17.58917       12.03691 
1 1 1 24 14 24 o 24.701  6.2869 4.6657   2.4471  31.747  10.486 17.654  6.9390 14.09315       12.57388 
1 1 1 24 14 26 o 73.940  3.3259 53.088   3.0661  79.644  5.7266 68.235  3.3843 11.40841       6.651846 
1 1 1 24 14 28 o 66.686  3.0436 44.901   2.6140  67.746  5.1984 65.625  3.1670 2.120354       6.087118 
1 1 1 24 14 30 o 39.790  4.9948 17.246   2.4286  38.765  8.8320 40.814  4.6679 -2.049011      9.989620 
1 1 1 24 14 32 o 23.073  6.1418 5.1075   2.4370  26.419  9.9540 19.727  7.1975 6.691414       12.28356 
1 1 1 24 14 34 o 18.752  5.5259 2.5402   2.2414  20.257  8.7033 17.248  6.8113 3.008402       11.05173 
1 1 1 24 14 36 o 53.294  3.3930 31.001   2.3966  51.617  5.7042 54.970  3.6759 -3.352177      6.786005 
1 1 1 24 15 1  o 20.654  5.2944 3.5167   2.0140  21.633  7.3591 19.675  7.6135 1.957726       10.58878 
1 1 1 24 15 3  o 83.138  1.8962 69.402   2.2223  80.115  2.8104 86.161  2.5462 -6.045372      3.792301 
1 1 1 24 15 5  o 18.372  5.0750 1.8355   1.9612  20.089  7.3111 16.655  7.0408 3.433765       10.15009 
1 1 1 24 15 7  o 180.307 1.9415 325.400  4.8094  179.606 2.3465 181.008 3.0938 -1.401627      3.883003 
1 1 1 24 15 9  o 228.197 2.4610 517.972  7.4519  232.910 4.0899 223.484 2.7383 9.425827       4.921962 
1 1 1 24 15 11 o 112.923 2.0147 127.378  3.0703  113.951 3.2932 111.895 2.3218 2.055840       4.029355 
1 1 1 24 15 13 o 81.108  2.5162 65.953   2.8820  82.520  3.6380 79.697  3.4771 2.823517       5.032440 
1 1 1 24 15 15 o 40.102  5.1878 16.328   2.5497  41.195  9.0738 39.009  5.0319 2.185558       10.37558 
1 1 1 24 15 17 f 123.484 2.0949 154.384  3.3087  121.272 3.6180 125.696 2.1128 -4.423767      4.189759 
1 1 1 24 15 19 o 154.465 2.1613 238.126  4.0905  156.000 3.8118 152.930 2.0385 3.070297       4.322688 
1 1 1 24 15 21 o 178.079 2.0219 318.471  4.7894  178.350 3.3665 177.808 2.2404 0.5421448      4.043820 
1 1 1 24 15 23 o 65.448  3.5267 41.908   2.7012  68.619  6.3101 62.277  3.1519 6.341511       7.053476 
1 1 1 24 15 25 o 57.636  3.4458 34.342   2.6139  55.384  5.8374 59.888  3.6632 -4.503471      6.891611 
1 1 1 24 15 27 o 35.920  5.0547 13.748   2.4167  38.409  7.7870 33.432  6.4468 4.977680       10.10935 
1 1 1 24 15 29 o 19.009  5.7203 0.7656   2.4750  23.338  9.3802 14.680  6.5497 8.657738       11.44061 
1 1 1 24 15 31 o 37.757  5.8464 16.601   2.7668  35.294  10.417 40.221  5.3109 -4.927700      11.69270 
1 1 1 24 15 33 o 21.617  6.4955 3.8399   2.7356  25.876  10.922 17.358  7.0345 8.518108       12.99098 
1 1 1 24 15 35 o 20.775  5.9263 4.2642   2.5242  21.188  9.3997 20.361  7.2201 0.8268433      11.85262 
1 1 1 24 15 37 o 12.582  4.4136 -5.2305  2.1823  14.991  7.3240 10.173  4.9274 4.817284       8.827269 
1 1 1 24 16 0  o 81.987  2.8950 67.547   4.7340  81.987  2.8950 ?       ?      0.000000       0.000000 
1 1 1 24 16 2  o 127.369 1.6102 162.978  2.8866  120.185 2.4018 134.553 2.1453 -14.36859      3.220429 
1 1 1 24 16 4  o 173.607 1.6357 301.986  4.0122  168.537 2.3636 178.676 2.2618 -10.13882      3.271421 
1 1 1 24 16 6  o 102.817 1.9080 105.965  2.7663  102.499 2.8162 103.135 2.5750 -0.6357574     3.815954 
1 1 1 24 16 8  o 49.875  2.7411 24.939   1.9302  48.553  3.8050 51.196  3.9468 -2.643383      5.482289 
1 1 1 24 16 10 o 84.627  2.3798 70.208   2.5831  88.341  4.0518 80.913  2.4973 7.427933       4.759562 
1 1 1 24 16 12 o 46.135  4.2282 21.447   2.6909  46.751  6.6684 45.518  5.2002 1.233112       8.456304 
1 1 1 24 16 14 o 60.974  3.1495 38.650   2.5518  55.425  5.3123 66.524  3.3846 -11.09925      6.298901 
1 1 1 24 16 16 o 98.040  2.3936 97.400   2.9391  96.498  4.1879 99.583  2.3190 -3.085800      4.787106 
1 1 1 24 16 18 o 92.642  2.2865 87.128   2.8123  90.365  3.8333 94.920  2.4937 -4.554199      4.573019 
1 1 1 24 16 20 o 22.108  5.9669 1.2386   2.6755  30.546  10.087 13.669  6.3770 16.87695       11.93374 
1 1 1 24 16 22 o 36.031  5.6662 14.900   2.6603  29.402  10.232 42.661  4.8719 -13.25890      11.33239 
1 1 1 24 16 24 o 48.933  4.8440 25.462   2.7316  47.132  8.7792 50.734  4.0966 -3.601986      9.688008 
1 1 1 24 16 26 o 22.743  5.8926 4.5887   2.4520  22.364  9.0252 23.122  7.5788 -0.7578316     11.78529 
1 1 1 24 16 28 o 20.123  5.7748 1.6176   2.5469  19.534  9.0048 20.711  7.2323 -1.177095      11.54953 
1 1 1 24 16 30 o 58.829  3.8714 34.671   2.7963  63.546  6.7229 54.113  3.8408 9.433773       7.742729 
1 1 1 24 16 32 o 57.517  4.6118 38.129   2.8555  53.083  8.5919 61.950  3.3549 -8.866917      9.223672 
1 1 1 24 16 34 o 25.862  6.2885 8.6656   2.6042  26.263  10.228 25.461  7.3186 0.8023891      12.57696 
1 1 1 24 16 36 o 33.875  5.2967 15.345   2.2193  29.011  9.6717 38.740  4.3217 -9.728876      10.59336 
1 1 1 24 17 1  o 89.113  2.0632 79.588   2.5967  85.587  2.9680 92.639  2.8667 -7.052010      4.126365 
1 1 1 24 17 3  o 167.460 1.7791 280.342  4.2018  163.356 2.4386 171.563 2.5911 -8.206833      3.558141 
1 1 1 24 17 5  o 128.103 1.7383 164.444  3.1461  132.067 2.4043 124.139 2.5113 7.927864       3.476693 
1 1 1 24 17 7  o 94.591  1.8777 89.612   2.5084  93.896  2.5824 95.287  2.7265 -1.390785      3.755303 
1 1 1 24 17 9  f 151.005 1.7195 228.475  3.6549  151.192 2.2911 150.817 2.5647 0.3748016      3.439029 
1 1 1 24 17 11 o 161.194 1.9710 259.738  4.2352  162.428 3.2700 159.960 2.2016 2.468323       3.942060 
1 1 1 24 17 13 o 67.210  3.1375 45.560   2.8719  67.080  5.0778 67.339  3.6866 -0.2586365     6.274927 
1 1 1 24 17 15 o 51.803  3.9427 27.391   2.4867  51.137  6.9997 52.470  3.6310 -1.333130      7.885416 
1 1 1 24 17 17 o 17.767  5.4229 -0.1826  2.4342  18.692  8.1252 16.843  7.1841 1.849241       10.84575 
1 1 1 24 17 19 o 37.804  5.4758 17.298   2.6755  27.385  10.016 48.223  4.4296 -20.83848      10.95162 
1 1 1 24 17 21 o 77.075  2.9910 61.158   2.8618  74.454  5.2728 79.696  2.8252 -5.241272      5.981951 
1 1 1 24 17 23 o 24.835  5.8524 5.8592   2.4727  22.524  9.3958 27.147  6.9802 -4.623274      11.70489 
1 1 1 24 17 25 f 17.951  5.5344 -4.2174  2.6140  25.567  9.8029 10.336  5.1403 15.23117       11.06883 
1 1 1 24 17 27 o 22.534  6.1885 2.2275   2.6299  31.217  10.641 13.851  6.3209 17.36675       12.37694 
1 1 1 24 17 29 o 31.885  6.0516 12.047   2.7712  27.710  10.643 36.061  5.7635 -8.350525      12.10317 
1 1 1 24 17 31 o 41.434  6.1315 21.938   2.8667  36.346  11.420 46.523  4.4674 -10.17734      12.26300 
1 1 1 24 17 33 o 22.902  6.3531 5.9373   2.7073  23.629  10.358 22.175  7.3591 1.454163       12.70614 
1 1 1 24 17 35 o 21.146  5.6814 5.5499   2.3220  20.316  8.9468 21.975  7.0048 -1.658892      11.36278 
1 1 1 24 18 0  o 155.356 2.5657 241.783  7.9671  155.356 2.5657 ?       ?      0.000000       0.000000 
1 1 1 24 18 2  o 131.514 1.8043 173.543  3.3485  136.562 2.4520 126.466 2.6477 10.09658       3.608691 
1 1 1 24 18 4  o 136.074 1.6667 185.589  3.2018  137.374 2.2694 134.774 2.4417 2.600571       3.333447 
1 1 1 24 18 6  o 99.495  1.9298 99.220   2.7085  99.746  2.8361 99.245  2.6177 0.5010529      3.859518 
1 1 1 24 18 8  o 38.733  4.2652 15.691   2.2133  42.249  4.9193 35.217  6.9691 7.032082       8.530389 
1 1 1 24 18 10 o 36.203  4.4248 13.625   2.1938  39.519  5.5513 32.887  6.8920 6.632278       8.849686 
1 1 1 24 18 12 o 14.676  4.8204 -3.6120  2.0724  18.961  8.2243 10.391  5.0304 8.569312       9.640764 
1 1 1 24 18 14 o 21.635  5.9093 1.6676   2.6083  28.591  9.7562 14.679  6.6705 13.91248       11.81859 
1 1 1 24 18 16 o 42.229  5.5224 20.673   2.6042  35.581  10.289 48.877  4.0160 -13.29681      11.04479 
1 1 1 24 18 18 o 22.712  5.8370 3.5806   2.6426  19.765  8.7672 25.660  7.7085 -5.894703      11.67408 
1 1 1 24 18 20 o 23.622  5.7709 4.2932   2.6125  20.018  8.9572 27.226  7.2789 -7.208101      11.54178 
1 1 1 24 18 22 o 22.295  5.7302 4.2092   2.2450  21.950  9.2034 22.640  6.8291 -0.6902046     11.46036 
1 1 1 24 18 24 o 29.254  5.9756 9.0760   2.3956  31.916  9.7635 26.592  6.8922 5.324797       11.95113 
1 1 1 24 18 26 o 54.396  4.8322 33.528   2.9209  48.438  8.9154 60.354  3.7306 -11.91539      9.664473 
1 1 1 24 18 28 o 65.663  3.5049 43.914   2.8719  68.327  6.0836 62.999  3.4823 5.327488       7.009741 
1 1 1 24 18 30 o 21.975  6.2652 4.7604   2.7668  23.714  9.9081 20.236  7.6707 3.477983       12.53035 
1 1 1 24 18 32 o 16.392  5.2728 -1.1546  2.6268  16.504  7.9166 16.280  6.9669 0.2242851      10.54566 
1 1 1 24 18 34 o 17.062  5.6124 0.9195   2.3523  20.190  9.4587 13.934  6.0439 6.256138       11.22476 
1 1 1 24 19 1  f 33.878  5.3699 12.155   2.5967  39.757  6.3894 28.000  8.6324 11.75726       10.73977 
1 1 1 24 19 3  o 57.442  2.9298 33.624   2.3378  63.226  3.6524 51.659  4.5820 11.56712       5.859627 
1 1 1 24 19 5  o 132.514 1.8511 176.257  3.4639  136.632 2.5352 128.397 2.6978 8.234131       3.702121 
1 1 1 24 19 7  o 178.833 1.7807 320.601  4.5002  179.935 2.5668 177.732 2.4687 2.202393       3.561311 
1 1 1 24 19 9  o 137.451 1.7564 189.485  3.3905  137.520 2.3090 137.382 2.6475 0.1379242      3.512875 
1 1 1 24 19 11 o 121.466 1.8185 148.235  3.1133  123.169 2.4374 119.763 2.6995 3.405853       3.637028 
1 1 1 24 19 13 o 53.760  3.5262 29.343   2.6105  53.551  5.6060 53.969  4.2789 -0.4180756     7.052408 
1 1 1 24 19 15 o 38.474  5.8638 16.725   2.8618  33.021  10.548 43.927  5.1257 -10.90612      11.72752 
1 1 1 24 19 17 o 46.453  5.2406 22.352   2.6461  46.435  9.6461 46.471  4.0997 -0.3534698E-01 10.48114 
1 1 1 24 19 19 o 89.325  2.4483 81.677   2.8250  86.438  4.2078 92.211  2.5043 -5.772820      4.896648 
1 1 1 24 19 21 o 93.021  2.5019 86.528   2.9542  95.050  4.3124 90.992  2.5379 4.058128       5.003816 
1 1 1 24 19 23 o 49.752  4.4968 26.271   2.8591  48.195  7.7863 51.309  4.5007 -3.114399      8.993529 
1 1 1 24 19 25 f 74.252  3.3736 57.041   2.9891  73.587  6.0410 74.916  3.0055 -1.328476      6.747298 
1 1 1 24 19 27 o 48.858  5.5141 26.789   2.7169  46.894  10.372 50.822  3.7487 -3.928341      11.02817 
1 1 1 24 19 29 o 26.219  5.4144 8.0720   2.5775  19.571  8.8788 32.866  6.1992 -13.29494      10.82882 
1 1 1 24 19 31 o 17.275  5.5813 -0.2473  2.5775  21.422  9.3355 13.127  6.1197 8.295133       11.16259 
1 1 1 24 19 33 o 24.347  4.9540 5.9480   2.7233  15.690  7.7473 33.003  6.1763 -17.31328      9.907945 
1 1 1 24 20 0  o 82.197  3.5258 68.124   5.7732  82.197  3.5258 ?       ?      0.000000       0.000000 
1 1 1 24 20 2  o 97.188  2.1106 95.047   2.8855  104.101 2.8284 90.276  3.1336 13.82505       4.221260 
1 1 1 24 20 4  o 65.992  2.8250 43.898   2.6240  70.788  3.8332 61.197  4.1509 9.590462       5.650062 
1 1 1 24 20 6  o 18.524  5.2812 1.2431   2.2133  20.417  7.6061 16.631  7.3287 3.785027       10.56235 
1 1 1 24 20 8  o 83.233  2.3055 69.683   2.7134  84.031  3.2291 82.436  3.2916 1.595329       4.610996 
1 1 1 24 20 10 o 80.970  2.3446 65.990   2.6842  80.857  3.3558 81.083  3.2753 -0.2252274     4.689236 
1 1 1 24 20 12 o 41.433  3.8167 17.473   2.1923  41.315  4.7511 41.551  5.9745 -0.2367172     7.633307 
1 1 1 24 20 14 o 96.887  2.8613 95.077   3.6135  96.162  4.8630 97.611  3.0164 -1.449593      5.722506 
1 1 1 24 20 16 o 71.174  3.2640 50.636   2.8719  72.698  5.7178 69.650  3.1498 3.048073       6.528004 
1 1 1 24 20 18 o 56.503  3.4990 33.347   2.6147  52.657  5.9205 60.349  3.7309 -7.692253      6.998024 
1 1 1 24 20 20 o 30.051  6.2575 9.7997   2.7436  27.488  10.740 32.614  6.4244 -5.125990      12.51506 
1 1 1 24 20 22 o 44.384  5.5827 20.784   3.0260  46.631  9.7278 42.136  5.4806 4.494797       11.16541 
1 1 1 24 20 24 o 34.118  6.6615 13.268   2.9439  34.429  11.600 33.806  6.5525 0.6229401      13.32308 
1 1 1 24 20 26 o 32.302  6.9289 11.430   2.9549  38.859  11.519 25.746  7.7033 13.11292       13.85776 
1 1 1 24 20 28 o 32.273  5.8132 13.628   2.7949  25.405  10.266 39.142  5.4573 -13.73643      11.62644 
1 1 1 24 20 30 o 45.252  5.2545 23.892   3.0010  47.554  8.9481 42.950  5.5111 4.604069       10.50908 
1 1 1 24 20 32 o 21.000  6.4747 4.9955   2.9596  24.101  10.686 17.899  7.3144 6.202412       12.94949 
1 1 1 24 21 1  o 35.552  4.2004 13.051   2.0393  40.306  5.4430 30.799  6.3989 9.507076       8.400713 
1 1 1 24 21 3  o 32.853  4.9946 11.504   2.2456  33.358  6.6390 32.348  7.4638 1.010223       9.989260 
1 1 1 24 21 5  o 68.093  2.6360 46.480   2.5192  65.388  3.5317 70.798  3.9142 -5.410072      5.271940 
1 1 1 24 21 7  o 115.565 1.9253 134.171  3.1461  115.620 2.6964 115.511 2.7489 0.1096954      3.850563 
1 1 1 24 21 9  o 101.155 2.1274 102.773  2.9977  100.447 2.7014 101.863 3.2872 -1.416275      4.254785 
1 1 1 24 21 11 o 43.134  3.6883 19.017   2.1923  44.023  4.4588 42.245  5.8764 1.778706       7.376526 
1 1 1 24 21 13 o 67.219  2.9284 45.766   2.7699  62.553  4.3378 71.884  3.9353 -9.330990      5.856892 
1 1 1 24 21 15 o 27.161  6.2423 7.3875   2.8720  24.096  9.6468 30.225  7.9251 -6.128736      12.48470 
1 1 1 24 21 17 o 31.625  6.5480 10.585   2.7670  33.003  11.168 30.248  6.8399 2.754894       13.09607 
1 1 1 24 21 19 o 19.041  5.7567 -0.2243  2.7845  18.428  8.5660 19.655  7.6930 -1.226908      11.51342 
1 1 1 24 21 21 f 25.840  6.5933 6.3592   2.6783  29.680  10.867 21.999  7.4697 7.681042       13.18654 
1 1 1 24 21 23 o 22.946  6.1611 4.1588   2.6976  22.015  9.9260 23.877  7.3015 -1.861374      12.32221 
1 1 1 24 21 25 o 19.859  6.2377 0.6291   2.9503  24.144  10.369 15.574  6.9372 8.569389       12.47535 
1 1 1 24 21 27 o 25.488  6.5058 7.6018   2.7523  29.993  10.466 20.984  7.7312 9.009424       13.01169 
1 1 1 24 21 29 o 25.531  6.3919 8.3001   3.0517  22.804  10.173 28.258  7.7419 -5.454634      12.78384 
1 1 1 24 21 31 o 24.210  6.3992 8.4187   2.8325  23.801  10.263 24.620  7.6461 -0.8190174     12.79832 
1 1 1 24 22 0  o 10.934  7.4948 -2.5402  4.9650  10.934  7.4948 ?       ?      0.000000       0.000000 
1 1 1 24 22 2  o 45.001  3.6745 20.595   2.3349  45.420  5.3385 44.581  5.0505 0.8391876      7.348933 
1 1 1 24 22 4  o 63.487  2.8173 40.932   2.5110  67.405  3.6830 59.569  4.2643 7.835487       5.634589 
1 1 1 24 22 6  o 130.980 2.0106 172.463  3.7235  133.003 2.8215 128.958 2.8652 4.044373       4.021167 
1 1 1 24 22 8  o 18.616  5.5382 -0.3071  2.6265  21.543  8.3840 15.690  7.2386 5.852604       11.07644 
1 1 1 24 22 10 o 76.504  2.6214 59.008   2.8100  76.145  3.4118 76.863  3.9809 -0.7177734     5.242883 
1 1 1 24 22 12 o 16.614  5.2206 -2.3884  2.5688  18.816  7.9213 14.412  6.8025 4.403291       10.44125 
1 1 1 24 22 14 o 72.300  2.7906 52.511   2.8225  68.300  3.7192 76.301  4.1615 -8.000572      5.581286 
1 1 1 24 22 16 o 62.284  4.0760 40.560   3.2311  60.370  7.0767 64.199  4.0467 -3.829243      8.152047 
1 1 1 24 22 18 o 18.816  5.7630 0.4619   2.6426  20.785  9.0125 16.847  7.1850 3.938320       11.52600 
1 1 1 24 22 20 f 36.301  6.1256 15.489   2.8608  31.812  11.076 40.790  5.2368 -8.978260      12.25125 
1 1 1 24 22 22 o 17.749  5.7294 -1.8390  2.9809  19.646  8.9408 15.852  7.1671 3.794924       11.45883 
1 1 1 24 22 24 o 19.873  6.3741 0.2611   3.2410  22.982  10.410 16.764  7.3590 6.217758       12.74826 
1 1 1 24 22 26 o 25.099  5.9922 6.7975   2.5477  32.527  9.5173 17.672  7.2834 14.85549       11.98443 
1 1 1 24 22 28 o 23.161  5.9245 5.9152   2.7839  19.925  9.1631 26.397  7.5126 -6.472172      11.84906 
1 1 1 24 22 30 o 28.231  6.6148 12.201   3.0661  26.268  10.802 30.194  7.6385 -3.925705      13.22968 
1 1 1 24 23 1  o 43.595  4.1752 19.437   2.5688  41.685  6.0938 45.504  5.7093 -3.819111      8.350488 
1 1 1 24 23 3  o 18.878  5.3611 -0.0577  2.4825  14.260  6.7068 23.496  8.3658 -9.236202      10.72227 
1 1 1 24 23 5  o 53.684  3.4222 29.270   2.5980  53.308  4.8735 54.061  4.8056 -0.7527809     6.844337 
1 1 1 24 23 7  o 57.200  3.1185 33.264   2.5110  60.773  4.1798 53.626  4.6293 7.147408       6.237076 
1 1 1 24 23 9  o 25.234  5.9327 6.3890   2.5110  22.943  8.3460 27.524  8.4339 -4.581306      11.86538 
1 1 1 24 23 11 o 43.470  4.1274 19.234   2.5074  39.041  5.7672 47.898  5.9060 -8.857063      8.254776 
1 1 1 24 23 13 o 84.891  2.4519 72.880   2.9398  82.655  3.4225 87.127  3.5119 -4.471916      4.903799 
1 1 1 24 23 15 o 20.011  5.5687 2.4660   2.4028  21.798  7.8540 18.225  7.8967 3.572199       11.13748 
1 1 1 24 23 17 o 43.000  4.6301 20.450   2.5659  48.517  4.7598 37.484  7.9433 11.03335       9.260167 
1 1 1 24 23 19 o 38.904  6.0955 15.044   2.9439  52.008  9.4514 25.800  7.7000 26.20796       12.19095 
1 1 1 24 23 21 o 48.288  4.7696 25.716   2.8591  46.670  8.3417 49.907  4.6272 -3.237144      9.539168 
1 1 1 24 23 23 o 39.574  6.4099 20.404   3.1287  34.285  11.741 44.863  5.1474 -10.57793      12.81979 
1 1 1 24 23 25 o 23.956  6.6325 6.5815   3.1402  24.533  10.298 23.379  8.3616 1.153696       13.26497 
1 1 1 24 23 27 o 18.983  5.8815 2.0850   2.7668  20.724  9.2540 17.242  7.2616 3.481598       11.76290 
1 1 1 24 23 29 o 18.334  6.0515 0.2970   3.3276  20.077  9.6404 16.592  7.3177 3.485376       12.10308 
1 1 1 24 24 0  o 51.984  5.0869 28.058   5.1959  51.984  5.0869 ?       ?      0.000000       0.000000 
1 1 1 24 24 2  o 40.914  4.5887 17.264   2.6507  39.421  6.4438 42.407  6.5347 -2.985996      9.177411 
1 1 1 24 24 4  o 26.850  5.0190 6.7776   2.3955  16.777  7.3618 36.922  6.8239 -20.14550      10.03798 
1 1 1 24 24 6  o 22.199  6.0767 1.7186   2.9621  15.720  7.2471 28.678  9.7562 -12.95752      12.15337 
1 1 1 24 24 8  o 90.421  2.4381 82.788   3.1175  91.060  3.4236 89.783  3.4723 1.276962       4.876290 
1 1 1 24 24 10 o 90.194  2.3319 82.285   2.9729  91.132  3.2309 89.256  3.3634 1.875832       4.663809 
1 1 1 24 24 12 o 23.956  6.1386 5.3734   2.7396  26.116  8.6885 21.796  8.6740 4.320295       12.27715 
1 1 1 24 24 14 o 17.863  5.5145 -0.2309  2.6189  17.401  7.5881 18.325  8.0037 -0.9232006     11.02900 
1 1 1 24 24 16 o 25.463  5.9797 7.0292   2.5774  27.629  8.0678 23.296  8.8284 4.332602       11.95946 
1 1 1 24 24 18 o 37.334  5.1107 15.713   2.5967  38.054  6.9320 36.614  7.5116 1.440277       10.22139 
1 1 1 24 24 20 o 34.706  6.4134 14.424   2.8426  32.333  11.612 37.079  5.4495 -4.746029      12.82686 
1 1 1 24 24 22 o 19.862  6.1136 1.6780   2.9765  20.506  9.6004 19.218  7.5722 1.288345       12.22728 
1 1 1 24 24 24 o 19.421  5.9904 1.6569   2.9549  19.751  9.2976 19.090  7.5562 0.6611061      11.98087 
1 1 1 24 24 26 o 22.363  6.9940 4.8909   3.1247  27.110  11.947 17.615  7.2748 9.495373       13.98803 
1 1 1 24 25 1  o 18.404  5.6415 -0.6928  2.7994  17.168  7.8892 19.641  8.0663 -2.472563      11.28291 
1 1 1 24 25 3  o 51.423  3.9643 27.352   2.8225  51.999  4.8851 50.846  6.2449 1.153564       7.928639 
1 1 1 24 25 5  o 43.208  4.4811 19.284   2.7177  40.570  6.1190 45.845  6.5483 -5.275063      8.962282 
1 1 1 24 25 7  o 44.156  5.3489 21.245   3.1831  47.157  6.2437 41.156  8.6866 6.001297       10.69775 
1 1 1 24 25 9  o 78.601  2.4930 62.793   2.7699  78.040  3.4769 79.161  3.5736 -1.120689      4.985942 
1 1 1 24 25 11 o 28.000  6.3662 8.6797   2.8505  26.960  8.7824 29.039  9.2187 -2.079119      12.73249 
1 1 1 24 25 13 o 50.916  4.0164 27.243   2.8762  50.959  5.3247 50.874  6.0145 0.8433151E-01  8.032847 
1 1 1 24 25 15 o 71.543  2.6025 52.950   2.5928  76.301  3.2536 66.786  4.0628 9.514565       5.205039 
1 1 1 24 25 17 o 75.563  2.6494 58.771   2.8289  77.321  3.6586 73.806  3.8329 3.514511       5.298712 
1 1 1 24 25 19 o 50.972  4.6217 30.333   2.7813  56.665  3.9735 45.280  8.3457 11.38507       9.243335 
1 1 1 24 25 21 o 67.282  3.8608 46.466   3.2839  74.209  6.5349 60.354  4.1132 13.85493       7.721635 
1 1 1 24 25 23 o 39.007  6.7082 20.699   3.4463  36.288  11.811 41.727  6.3644 -5.439106      13.41636 
1 1 1 24 25 25 o 20.229  6.1932 3.2645   3.3065  19.556  9.3650 20.901  8.1068 -1.344351      12.38642 
1 1 1 24 26 0  o 67.854  4.6385 47.340   6.2351  67.854  4.6385 ?       ?      0.000000       0.000000 
1 1 1 24 26 2  o 95.932  2.2815 93.465   3.0884  98.954  3.0922 92.911  3.3554 6.043137       4.562918 
1 1 1 24 26 4  o 81.713  2.6754 67.912   3.0819  76.735  3.8370 86.692  3.7293 -9.957344      5.350753 
1 1 1 24 26 6  o 71.561  3.1658 52.508   3.1976  70.315  4.3516 72.806  4.5992 -2.490242      6.331556 
1 1 1 24 26 8  f 61.387  3.3279 38.928   2.8855  62.085  4.5564 60.689  4.8515 1.396286       6.655702 
1 1 1 24 26 10 f 44.755  4.8377 21.904   2.9729  47.732  6.1685 41.777  7.4541 5.954945       9.675410 
1 1 1 24 26 12 o 34.590  5.3786 13.847   2.6113  40.133  6.0417 29.046  8.9002 11.08693       10.75716 
1 1 1 24 26 14 o 45.422  4.6106 22.968   2.7122  48.785  4.8520 42.060  7.8414 6.725025       9.221167 
1 1 1 24 26 16 o 36.361  5.5646 15.920   2.8100  40.671  6.3877 32.051  9.1134 8.620003       11.12910 
1 1 1 24 26 18 o 17.298  5.4243 -0.1937  2.6818  19.295  8.2048 15.302  7.0975 3.993146       10.84863 
1 1 1 24 26 20 o 30.113  6.8431 12.096   3.1366  25.505  8.4975 34.720  10.729 -9.215050      13.68628 
1 1 1 24 26 22 o 20.324  6.3146 2.5709   3.2971  21.123  9.7811 19.525  7.9890 1.597809       12.62915 
1 1 1 24 26 24 o 19.959  6.2093 3.4808   3.2950  20.362  9.4062 19.556  8.1084 0.8060074      12.41867 
1 1 1 24 27 1  o 15.878  5.1805 -3.4165  2.7396  15.262  7.1725 16.495  7.4771 -1.233415      10.36103 
1 1 1 24 27 3  o 50.311  3.8957 26.615   2.7712  49.679  5.5781 50.942  5.4399 -1.262272      7.791458 
1 1 1 24 27 5  o 55.987  3.4910 32.222   2.7279  50.977  4.7566 60.996  5.1110 -10.01918      6.981956 
1 1 1 24 27 7  o 47.627  4.7712 25.225   3.0175  52.660  5.3720 42.595  7.8866 10.06437       9.542369 
1 1 1 24 27 9  o 51.991  3.8318 28.707   2.7973  49.678  5.8107 54.304  4.9967 -4.626141      7.663653 
1 1 1 24 27 11 o 21.712  5.9329 3.8404   2.7411  24.267  8.3923 19.158  8.3886 5.108475       11.86587 
1 1 1 24 27 13 o 36.904  4.8512 15.502   2.4704  33.022  7.1931 40.786  6.5113 -7.763336      9.702487 
1 1 1 24 27 15 o 18.587  5.1567 -0.0770  2.5518  23.907  8.0001 13.266  6.5088 10.64175       10.31345 
1 1 1 24 27 17 o 38.860  5.4434 18.859   2.8085  44.849  5.5352 32.870  9.3746 11.97935       10.88679 
1 1 1 24 27 19 o 50.712  3.9025 28.538   2.7854  47.434  5.4770 53.989  5.5605 -6.554905      7.804928 
1 1 1 24 27 21 o 56.788  5.0606 39.569   3.9962  60.058  7.6902 53.518  6.5803 6.539478       10.12125 
1 1 1 24 28 0  o 39.065  7.6119 17.551   5.3114  39.065  7.6119 ?       ?      0.000000       0.000000 
1 1 1 24 28 2  o 29.888  6.2247 10.315   2.9160  36.148  8.9740 23.628  8.6286 12.51955       12.44937 
1 1 1 24 28 4  o 24.390  6.2573 6.4148   2.7640  24.153  8.3885 24.628  9.2869 -0.4743462     12.51455 
1 1 1 24 28 6  o 19.582  5.9056 0.7423   3.0285  22.233  8.8489 16.931  7.8233 5.302063       11.81128 
1 1 1 24 28 8  o 21.862  5.8297 3.7637   2.7024  16.244  7.3407 27.479  9.0584 -11.23473      11.65935 
1 1 1 24 28 10 o 17.334  5.5235 -0.6743  2.8855  16.869  7.7160 17.799  7.9056 -0.9306755     11.04700 
1 1 1 24 28 12 o 31.706  6.3411 12.923   2.9843  27.955  8.8553 35.458  9.0786 -7.502974      12.68219 
1 1 1 24 28 14 o 44.261  4.6416 22.799   2.7420  51.269  5.4051 37.253  7.5472 14.01646       9.283100 
1 1 1 24 28 16 o 19.788  5.7756 3.6454   2.5732  18.904  7.6529 20.672  8.6525 -1.768026      11.55130 
1 1 1 24 28 18 o 17.911  5.6185 0.5427   2.8577  14.665  6.8872 21.156  8.8791 -6.491176      11.23703 
1 1 1 24 28 20 o 29.034  5.8178 11.990   2.7140  34.581  6.9223 23.486  9.3526 11.09529       11.63569 
1 1 1 24 29 1  o 39.122  5.8819 18.727   3.1375  43.984  8.3098 34.260  8.3268 9.724003       11.76387 
1 1 1 24 29 3  o 32.828  5.9181 13.474   2.7854  28.132  8.5111 37.524  8.2253 -9.391834      11.83616 
1 1 1 24 29 5  o 54.973  4.0489 33.277   3.1398  54.548  5.5036 55.398  5.9401 -0.8507652     8.097814 
1 1 1 24 29 7  o 33.702  6.3512 14.673   3.1133  30.143  9.1551 37.262  8.8053 -7.119192      12.70233 
1 1 1 24 29 9  o 38.832  5.2754 17.987   2.8277  36.349  8.1445 41.316  6.7073 -4.966114      10.55088 
1 1 1 24 29 11 o 50.464  4.3822 29.039   3.1165  53.423  5.9437 47.505  6.4410 5.917797       8.764363 
1 1 1 24 29 13 o 50.369  4.6549 29.610   3.2897  53.377  6.0569 47.361  7.0701 6.016338       9.309850 
1 1 1 24 29 15 o 25.702  6.5804 9.3440   3.0884  24.689  9.2227 26.715  9.3887 -2.026327      13.16075 
1 1 1 24 29 17 o 19.846  5.6971 4.0308   2.4759  15.791  6.9597 23.902  9.0217 -8.110723      11.39425 
1 1 1 24 30 0  o 10.981  7.7171 -4.1567  6.1196  10.981  7.7171 ?       ?      0.000000       0.000000 
1 1 1 24 30 2  o 25.308  6.1242 6.6175   3.1334  33.752  9.5133 16.865  7.7150 16.88770       12.24838 
1 1 1 24 30 4  o 19.424  5.7525 1.1981   2.9083  24.364  9.1967 14.484  6.9127 9.880134       11.50494 
1 1 1 24 30 6  o 43.209  4.8601 22.098   2.8681  43.914  6.0475 42.505  7.6097 1.408581       9.720113 
1 1 1 24 30 8  o 49.396  4.2171 27.678   2.9432  47.773  6.0424 51.018  5.8843 -3.245552      8.434185 
1 1 1 24 30 10 o 31.105  6.3810 13.219   3.1133  25.334  9.1817 36.876  8.8638 -11.54148      12.76206 
1 1 1 24 30 12 o 24.053  6.4893 8.1637   3.2018  27.038  9.3995 21.068  8.9494 5.970602       12.97851 
1 1 1 24 30 14 o 16.544  5.3551 -2.5315  3.0587  19.848  8.4930 13.239  6.5252 6.609502       10.71026 
1 1 1 24 31 1  o 53.665  4.7886 34.087   3.5109  50.446  7.7822 56.884  5.5820 -6.438084      9.577134 
1 1 1 24 31 3  o 38.496  5.8927 19.276   3.1165  38.245  8.2360 38.747  8.4300 -0.5016594     11.78547 
1 1 1 24 31 5  o 20.243  6.2327 3.2300   3.3712  18.100  8.2203 22.385  9.3707 -4.285038      12.46531 
1 1 1 24 31 7  o 26.247  6.6958 10.684   3.2044  27.323  8.9674 25.171  9.9458 2.152506       13.39151 
1 1 1 24 31 9  o 50.500  4.6744 30.954   3.2543  52.232  5.6370 48.767  7.4582 3.465347       9.348828 
1 1 1 24 32 0  o 13.326  9.0977 -0.6928  7.1588  13.326  9.0977 ?       ?      0.000000       0.000000 
1 1 1 24 32 2  f 18.505  5.8189 1.0021   3.2072  20.198  8.5167 16.813  7.9310 3.384254       11.63770 
1 1 1 25 1  0  o 10.000  6.4918 0.0000   3.0021  10.000  6.4918 ?       ?      0.000000       0.000000 
1 1 1 25 1  2  o 146.793 1.6421 215.746  3.4062  143.352 2.3761 150.234 2.2673 -6.882568      3.284263 
1 1 1 25 1  4  o 288.203 2.2229 825.658  8.7749  281.229 2.6892 295.176 3.5401 -13.94739      4.445715 
1 1 1 25 1  6  o 165.723 1.7111 273.374  3.8011  163.380 1.9435 168.066 2.8168 -4.686066      3.422198 
1 1 1 25 1  8  o 255.031 2.1637 651.313  7.6868  255.022 2.7392 255.040 3.3502 -0.1824951E-01 4.327497 
1 1 1 25 1  10 f 261.033 2.8242 680.115  8.9279  259.478 2.6032 262.588 5.0128 -3.109467      5.648413 
1 1 1 25 1  12 o 137.921 2.1670 191.365  3.7899  139.143 2.1576 136.700 3.7587 2.443314       4.333946 
1 1 1 25 1  14 o 96.926  1.9137 95.013   2.5143  99.952  2.1949 93.900  3.1356 6.052322       3.827486 
1 1 1 25 1  16 o 99.523  2.1542 97.468   2.9317  93.670  2.6502 105.377 3.3968 -11.70661      4.308343 
1 1 1 25 1  18 o 95.771  2.4717 92.519   3.1267  97.096  2.6757 94.447  4.1566 2.648590       4.943335 
1 1 1 25 1  20 o 39.907  4.5893 16.396   2.2584  40.377  4.4324 39.437  8.0374 0.9403000      9.178558 
1 1 1 25 1  22 f 99.012  2.1964 99.153   2.9977  102.510 2.6470 95.513  3.5058 6.996941       4.392827 
1 1 1 25 1  24 o 23.694  6.2193 3.1646   2.8922  17.014  7.5003 30.374  9.9230 -13.35930      12.43866 
1 1 1 25 1  26 o 124.338 2.0578 154.528  3.4667  122.558 2.4024 126.118 3.3417 -3.559830      4.115635 
1 1 1 25 1  28 o 58.364  3.2865 34.486   2.7085  56.470  4.6006 60.257  4.6947 -3.787563      6.573076 
1 1 1 25 1  30 o 82.563  2.8136 69.786   3.2165  87.424  3.4339 77.703  4.4579 9.720505       5.627168 
1 1 1 25 1  32 o 67.164  3.1071 46.070   2.9443  69.829  4.2165 64.500  4.5649 5.329330       6.214286 
1 1 1 25 1  34 o 53.207  5.4855 29.538   3.8208  48.303  6.2151 58.111  9.0407 -9.807934      10.97096 
1 1 1 25 1  36 f 19.773  6.1774 1.1876   2.6392  15.531  6.6547 24.014  10.409 -8.482448      12.35480 
1 1 1 25 1  38 o 21.374  6.5102 3.5203   2.8044  18.200  7.1575 24.548  10.877 -6.348171      13.02048 
1 1 1 25 1  40 o 17.069  5.6078 -0.6928  2.9251  15.386  6.8929 18.752  8.8474 -3.365142      11.21561 
1 1 1 25 2  1  o 243.214 1.9641 592.102  6.7527  243.218 2.7297 243.210 2.8248 0.8026123E-02  3.928205 
1 1 1 25 2  3  o 181.876 1.7171 331.025  4.4163  181.368 2.4192 182.383 2.4374 -1.013992      3.434152 
1 1 1 25 2  5  f 23.368  5.5100 5.1959   2.1361  23.368  7.7923 23.368  7.7923 0.000000       11.02000 
1 1 1 25 2  7  o 163.351 1.8907 267.654  4.0967  164.180 2.0747 162.522 3.1615 1.658371       3.781474 
1 1 1 25 2  9  o 200.525 1.9378 402.997  5.3883  201.515 2.4065 199.536 3.0380 1.978577       3.875666 
1 1 1 25 2  11 f 171.120 2.0366 291.780  4.5577  169.363 2.1816 172.877 3.4397 -3.514099      4.073192 
1 1 1 25 2  13 o 99.362  2.2284 100.030  2.9901  102.785 2.5276 95.938  3.6708 6.847542       4.456814 
1 1 1 25 2  15 o 32.971  5.3264 11.392   2.4342  35.841  5.9598 30.100  8.8296 5.741232       10.65275 
1 1 1 25 2  17 o 110.823 2.0118 123.680  2.9913  112.371 2.2606 109.274 3.3285 3.097412       4.023520 
1 1 1 25 2  19 o 102.140 2.0753 105.172  2.8719  103.930 2.3886 100.350 3.3943 3.580040       4.150519 
1 1 1 25 2  21 o 82.969  2.5001 69.502   2.8300  84.713  2.9305 81.225  4.0514 3.487854       5.000137 
1 1 1 25 2  23 o 133.977 1.9550 179.854  3.5839  133.645 2.3327 134.309 3.1379 -0.6643829     3.909957 
1 1 1 25 2  25 o 73.177  3.0905 54.501   3.1017  75.583  3.6664 70.771  4.9761 4.811646       6.180939 
1 1 1 25 2  27 o 96.109  2.3199 93.254   3.0652  97.183  2.7921 95.034  3.7057 2.148514       4.639799 
1 1 1 25 2  29 o 18.248  5.7047 -2.3546  2.8889  14.296  6.7411 22.200  9.2051 -7.904770      11.40948 
1 1 1 25 2  31 o 75.155  2.8629 57.179   2.9845  73.887  3.5942 76.423  4.4570 -2.535675      5.725719 
1 1 1 25 2  33 o 54.860  4.2807 31.581   3.3173  54.983  5.8800 54.737  6.2228 0.2461662      8.561408 
1 1 1 25 2  35 o 23.638  5.9485 3.2321   3.0373  28.058  7.4761 19.218  9.2545 8.839611       11.89697 
1 1 1 25 2  37 o 23.472  6.7836 5.3678   3.1184  22.251  7.7762 24.693  11.117 -2.441875      13.56711 
1 1 1 25 2  39 o 37.022  6.3627 17.312   3.1245  30.026  8.0864 44.019  9.8257 -13.99385      12.72535 
1 1 1 25 2  41 o 23.084  6.5142 6.5631   3.1727  23.893  8.0002 22.276  10.283 1.616472       13.02842 
1 1 1 25 3  0  o 38.980  5.6915 15.819   4.2722  38.980  5.6915 ?       ?      0.000000       0.000000 
1 1 1 25 3  2  o 55.658  2.6086 30.826   2.0166  57.305  4.0298 54.011  3.3136 3.294735       5.217212 
1 1 1 25 3  4  o 83.850  1.7811 70.492   2.1068  86.399  2.4055 81.302  2.6274 5.096985       3.562265 
1 1 1 25 3  6  o 226.085 1.9140 511.652  6.1191  228.125 2.7079 224.044 2.7057 4.081070       3.827955 
1 1 1 25 3  8  o 120.445 1.6808 145.270  2.8505  121.049 2.2416 119.840 2.5051 1.208710       3.361561 
1 1 1 25 3  10 o 325.692 2.6685 1064.94  12.096  328.701 3.3547 322.683 4.1508 6.017090       5.336939 
1 1 1 25 3  12 o 88.855  2.3257 79.093   2.9015  88.866  3.0534 88.844  3.5090 0.2180481E-01  4.651462 
1 1 1 25 3  14 f 64.098  3.2414 40.619   2.6125  62.411  3.2376 65.786  5.6165 -3.374565      6.482856 
1 1 1 25 3  16 o 37.661  5.5127 16.425   2.7035  46.847  4.6830 28.475  9.9814 18.37173       11.02535 
1 1 1 25 3  18 o 124.267 2.1522 158.214  3.6149  133.244 2.4264 115.290 3.5554 17.95394       4.304423 
1 1 1 25 3  20 o 213.201 1.9489 457.168  5.7847  217.155 2.4459 209.248 3.0349 7.906723       3.897851 
1 1 1 25 3  22 o 100.550 2.7632 102.632  3.2057  102.136 2.3175 98.964  5.0169 3.171654       5.526353 
1 1 1 25 3  24 o 142.452 2.3460 200.797  4.2693  138.436 2.4188 146.467 4.0205 -8.030960      4.692003 
1 1 1 25 3  26 o 120.630 2.2321 145.428  3.6843  118.201 2.6863 123.058 3.5655 -4.856850      4.464211 
1 1 1 25 3  28 o 77.900  3.2362 61.674   3.5447  80.018  4.2568 75.783  4.8756 4.234985       6.472420 
1 1 1 25 3  30 o 34.583  5.4577 13.040   2.7122  27.386  8.8737 41.780  6.3563 -14.39446      10.91533 
1 1 1 25 3  32 o 28.980  6.2621 9.1731   2.8123  27.277  9.8650 30.684  7.7160 -3.406780      12.52418 
1 1 1 25 3  34 o 14.890  4.9300 -4.3610  2.6113  14.984  7.0820 14.795  6.8603 0.1891661      9.859960 
1 1 1 25 3  36 o 24.720  5.6127 6.0946   2.6926  30.743  7.4016 18.697  8.4396 12.04622       11.22548 
1 1 1 25 3  38 o 22.730  5.5111 6.1366   2.1646  24.518  7.7755 20.943  7.8121 3.575388       11.02215 
1 1 1 25 3  40 o 15.990  5.1052 0.1182   2.4533  16.088  7.2259 15.893  7.2139 0.1950026      10.21046 
1 1 1 25 4  1  o 223.597 1.8550 500.180  5.8426  224.593 2.7505 222.601 2.4898 1.991806       3.710007 
1 1 1 25 4  3  f 104.027 1.6985 108.722  2.4704  101.552 2.6151 106.503 2.1683 -4.950699      3.397099 
1 1 1 25 4  5  o 74.633  1.7779 55.634   1.8723  78.265  2.5080 71.000  2.5207 7.264915       3.555841 
1 1 1 25 4  7  o 192.123 1.7212 369.192  4.6699  194.190 2.4973 190.056 2.3694 4.134033       3.442450 
1 1 1 25 4  9  o 150.656 1.6261 227.177  3.4639  152.285 2.2746 149.027 2.3244 3.257248       3.252183 
1 1 1 25 4  11 o 159.340 1.7186 253.986  3.8543  160.128 2.5598 158.552 2.2940 1.576416       3.437289 
1 1 1 25 4  13 o 326.837 2.7683 1076.29  12.465  333.028 3.3458 320.645 4.4112 12.38275       5.536525 
1 1 1 25 4  15 o 156.997 2.2707 252.148  4.5840  163.830 2.2905 150.165 3.9215 13.66473       4.541434 
1 1 1 25 4  17 o 74.834  2.5871 54.536   2.6083  68.719  3.1084 80.949  4.1365 -12.22977      5.174265 
1 1 1 25 4  19 o 151.395 2.0940 233.046  4.2393  157.290 2.3124 145.500 3.4917 11.78981       4.187967 
1 1 1 25 4  21 o 178.754 1.9943 321.163  5.0201  185.061 2.6517 172.447 2.9796 12.61433       3.988650 
1 1 1 25 4  23 o 171.143 1.8971 293.781  4.5895  174.682 2.6440 167.604 2.7212 7.077881       3.794172 
1 1 1 25 4  25 o 86.806  2.6221 75.520   3.1456  88.419  4.1135 85.192  3.2528 3.226974       5.244208 
1 1 1 25 4  27 o 89.355  2.3496 80.523   2.9036  88.796  3.7060 89.914  2.8894 -1.118446      4.699216 
1 1 1 25 4  29 o 23.482  6.0207 4.6063   2.6827  21.102  8.7308 25.862  8.2927 -4.759487      12.04142 
1 1 1 25 4  31 o 27.398  6.2105 7.9397   2.7997  30.862  8.7587 23.935  8.8070 6.927065       12.42090 
1 1 1 25 4  33 o 23.004  5.6180 4.6842   2.4759  19.023  8.2796 26.986  7.5958 -7.962723      11.23601 
1 1 1 25 4  35 o 19.735  5.9705 0.9809   3.0107  20.466  8.2473 19.003  8.6353 1.463602       11.94091 
1 1 1 25 4  37 o 21.567  5.7743 4.5646   2.5942  24.238  8.0002 18.896  8.3287 5.341900       11.54857 
1 1 1 25 4  39 o 26.809  5.4629 8.7880   2.7931  35.144  6.9833 18.474  8.4028 16.66955       10.92581 
1 1 1 25 5  0  o 89.750  2.7718 80.825   4.9650  89.750  2.7718 ?       ?      0.000000       0.000000 
1 1 1 25 5  2  o 185.795 1.8127 345.530  4.7627  185.685 2.5806 185.905 2.5465 -0.2196655     3.625478 
1 1 1 25 5  4  o 173.695 1.6461 302.055  4.0413  176.986 2.2834 170.405 2.3716 6.581055       3.292136 
1 1 1 25 5  6  o 127.235 1.6689 162.055  3.0021  125.488 2.3923 128.982 2.3275 -3.493851      3.337749 
1 1 1 25 5  8  o 219.074 1.7922 480.973  5.5369  222.493 2.4132 215.655 2.6503 6.838394       3.584331 
1 1 1 25 5  10 o 103.856 2.0745 107.738  2.9845  104.923 3.2464 102.789 2.5836 2.133728       4.149010 
1 1 1 25 5  12 o 36.788  3.3808 13.511   1.7490  34.917  4.6295 38.659  4.9281 -3.741535      6.761557 
1 1 1 25 5  14 o 42.565  7.1103 16.813   3.1388  38.186  5.4428 46.944  13.138 -8.758461      14.22063 
1 1 1 25 5  16 o 96.352  2.9375 93.221   3.5091  96.434  2.8137 96.270  5.1574 0.1645813      5.874995 
1 1 1 25 5  18 o 104.828 1.9315 110.230  2.8575  109.369 2.6393 100.286 2.8208 9.082657       3.863033 
1 1 1 25 5  20 o 57.975  3.9100 33.764   3.1914  62.027  5.4915 53.923  5.5673 8.103500       7.819971 
1 1 1 25 5  22 o 37.515  4.8718 14.583   2.4951  44.786  6.0587 30.245  7.6308 14.54096       9.743580 
1 1 1 25 5  24 o 88.788  2.4138 79.258   3.0307  89.271  3.4275 88.305  3.3997 0.9660950      4.827609 
1 1 1 25 5  26 o 31.751  5.5008 10.856   2.4533  32.105  7.6506 31.397  7.9059 0.7078743      11.00159 
1 1 1 25 5  28 o 102.810 2.2837 106.308  3.3133  103.819 3.3365 101.800 3.1191 2.019272       4.567417 
1 1 1 25 5  30 f 68.820  2.9270 48.789   2.7122  65.492  4.8484 72.148  3.2808 -6.656281      5.854087 
1 1 1 25 5  32 o 50.948  3.9715 26.545   2.8085  58.099  5.5646 43.797  5.6681 14.30231       7.943093 
1 1 1 25 5  34 o 45.747  4.9094 22.690   3.1742  45.614  7.0878 45.880  6.7950 -0.2661438     9.818860 
1 1 1 25 5  36 o 24.008  6.2037 6.4198   2.6326  21.317  7.8369 26.698  9.6192 -5.380373      12.40746 
1 1 1 25 5  38 o 20.675  5.8784 4.0340   2.7279  22.340  8.2364 19.010  8.3894 3.329607       11.75675 
1 1 1 25 5  40 o 22.613  6.2242 7.1394   2.8329  22.589  8.2454 22.637  9.3261 -0.4770088E-01 12.44836 
1 1 1 25 6  1  o 112.009 1.6765 125.568  2.6557  111.932 2.3726 112.087 2.3693 -0.1546326     3.353038 
1 1 1 25 6  3  o 183.864 1.7198 337.294  4.4592  191.861 2.4674 175.866 2.3964 15.99446       3.439619 
1 1 1 25 6  5  o 97.048  1.6874 94.464   2.3078  99.727  2.2577 94.369  2.5083 5.358109       3.374727 
1 1 1 25 6  7  o 130.348 1.6604 170.079  3.0598  128.533 2.3806 132.165 2.3152 -3.631836      3.320703 
1 1 1 25 6  9  o 156.284 1.6976 244.244  3.7490  160.103 2.4160 152.464 2.3856 7.638077       3.395278 
1 1 1 25 6  11 o 122.437 1.7225 150.339  2.9662  124.423 2.2736 120.450 2.5882 3.973297       3.445038 
1 1 1 25 6  13 o 128.061 1.7706 164.154  3.1976  128.370 2.6085 127.752 2.3951 0.6175613      3.541276 
1 1 1 25 6  15 o 130.183 1.8897 169.339  3.4168  131.642 2.9383 128.723 2.3771 2.919250       3.779426 
1 1 1 25 6  17 o 192.970 2.0449 371.765  5.4244  195.629 3.2462 190.310 2.4875 5.318710       4.089723 
1 1 1 25 6  19 o 191.596 2.3405 366.790  6.0616  193.646 3.8161 189.545 2.7108 4.101166       4.680921 
1 1 1 25 6  21 o 88.037  2.4933 78.527   3.0326  84.464  3.9644 91.611  3.0249 -7.147156      4.986631 
1 1 1 25 6  23 o 26.419  5.4417 7.0462   2.3544  21.022  8.2655 31.816  7.0803 -10.79401      10.88348 
1 1 1 25 6  25 o 28.598  6.2266 8.0119   2.9662  22.193  8.7236 35.004  8.8871 -12.81047      12.45319 
1 1 1 25 6  27 o 15.039  4.9959 -4.8495  2.5754  16.803  7.7864 13.276  6.2616 3.526523       9.991846 
1 1 1 25 6  29 o 17.890  5.5684 -1.4120  2.7663  19.788  8.3928 15.992  7.3205 3.796276       11.13678 
1 1 1 25 6  31 o 22.827  6.0347 3.9805   2.7347  26.808  9.0584 18.846  7.9760 7.962326       12.06946 
1 1 1 25 6  33 o 24.113  6.3650 5.4840   2.8512  26.516  9.6884 21.711  8.2577 4.805103       12.73005 
1 1 1 25 6  35 o 34.398  6.2211 14.216   3.0206  35.716  7.8121 33.081  9.6839 2.635017       12.44217 
1 1 1 25 6  37 o 23.137  5.5366 6.1923   2.2779  25.909  7.2776 20.364  8.3457 5.545015       11.07312 
1 1 1 25 6  39 o 56.845  3.4875 35.549   2.7519  58.962  4.3082 54.728  5.4855 4.234306       6.975069 
1 1 1 25 7  0  o 233.972 2.5175 547.880  11.777  233.972 2.5175 ?       ?      0.000000       0.000000 
1 1 1 25 7  2  o 212.556 1.7293 452.049  5.1933  219.831 2.4161 205.281 2.4749 14.54979       3.458695 
1 1 1 25 7  4  o 194.133 1.7770 377.230  4.8782  196.348 2.4993 191.919 2.5269 4.428879       3.554052 
1 1 1 25 7  6  o 81.879  1.9696 67.111   2.2801  83.394  2.7691 80.364  2.8017 3.029488       3.939236 
1 1 1 25 7  8  o 47.130  3.0707 22.109   2.0296  49.628  4.5369 44.633  4.1392 4.994389       6.141352 
1 1 1 25 7  10 o 87.350  1.8933 76.395   2.3378  89.332  2.6497 85.369  2.7051 3.962807       3.786602 
1 1 1 25 7  12 o 105.611 1.8500 111.119  2.6739  107.367 2.9574 103.855 2.2236 3.511101       3.700076 
1 1 1 25 7  14 o 13.786  4.5141 -3.7975  2.0527  16.142  7.1595 11.430  5.5000 4.712473       9.028250 
1 1 1 25 7  16 o 131.497 1.9070 170.976  3.3854  136.299 3.0921 126.694 2.2328 9.604446       3.813985 
1 1 1 25 7  18 o 187.847 1.9031 353.001  4.8535  188.751 3.0892 186.943 2.2235 1.808411       3.806230 
1 1 1 25 7  20 f 127.264 1.9891 162.369  3.3189  127.155 3.3598 127.373 2.1303 -0.2184143     3.978273 
1 1 1 25 7  22 o 51.230  3.7019 27.818   2.3482  46.551  6.5730 55.909  3.4076 -9.357311      7.403803 
1 1 1 25 7  24 o 96.818  2.3274 94.668   2.9201  95.832  3.9761 97.804  2.4202 -1.972038      4.654714 
1 1 1 25 7  26 o 27.364  5.4506 6.4581   2.3650  38.060  8.4156 16.669  6.9294 21.39108       10.90126 
1 1 1 25 7  28 o 61.559  4.1749 39.881   3.2582  57.782  7.2937 65.335  4.0647 -7.552868      8.349831 
1 1 1 25 7  30 o 31.596  5.7218 11.050   2.8512  24.260  9.5025 38.932  6.3765 -14.67158      11.44366 
1 1 1 25 7  32 o 25.763  5.9714 6.6816   2.5351  31.169  9.0808 20.357  7.7569 10.81171       11.94279 
1 1 1 25 7  34 o 24.518  6.1597 6.2946   2.7854  21.898  8.8484 27.139  8.5718 -5.241835      12.31946 
1 1 1 25 7  36 o 19.520  5.8951 1.9469   2.8923  16.748  7.5402 22.293  9.0640 -5.545359      11.79025 
1 1 1 25 7  38 o 46.505  5.4748 26.891   3.3710  50.766  6.0273 42.244  9.1415 8.521538       10.94969 
1 1 1 25 7  40 o 22.167  6.1347 5.3239   3.1727  26.476  9.0584 17.857  8.2755 8.618097       12.26939 
1 1 1 25 8  1  o 291.469 2.0659 850.534  8.5146  294.991 2.9161 287.947 2.9272 7.043915       4.131846 
1 1 1 25 8  3  o 48.810  3.1756 24.229   2.1345  41.539  5.0034 56.080  3.9119 -14.54090      6.351134 
1 1 1 25 8  5  o 85.194  1.9638 72.512   2.3614  87.967  2.8221 82.420  2.7318 5.546959       3.927697 
1 1 1 25 8  7  o 139.087 1.7022 193.105  3.3325  142.440 2.5129 135.734 2.2968 6.706009       3.404421 
1 1 1 25 8  9  o 76.304  1.9784 58.145   2.0404  76.891  3.2286 75.718  2.2874 1.172981       3.956778 
1 1 1 25 8  11 o 83.476  2.0923 69.143   2.3772  85.872  3.3615 81.079  2.4922 4.793335       4.184586 
1 1 1 25 8  13 o 55.022  2.8913 29.452   2.1317  59.484  4.6586 50.560  3.4256 8.924191       5.782522 
1 1 1 25 8  15 o 155.012 1.8302 236.487  3.7953  161.956 2.9943 148.069 2.1055 13.88695       3.660480 
1 1 1 25 8  17 o 106.170 1.8138 115.032  2.5351  101.404 3.0744 110.936 1.9255 -9.531975      3.627584 
1 1 1 25 8  19 o 169.745 1.9624 289.225  4.5354  168.839 3.1800 170.652 2.3005 -1.813782      3.924881 
1 1 1 25 8  21 o 111.559 2.1149 126.431  3.1083  108.201 3.5749 114.917 2.2607 -6.715958      4.229739 
1 1 1 25 8  23 o 41.680  4.3523 17.999   2.2425  40.971  7.6121 42.389  4.2220 -1.418205      8.704612 
1 1 1 25 8  25 o 45.836  3.7914 21.232   2.4125  47.303  5.8583 44.369  4.8144 2.933426       7.582772 
1 1 1 25 8  27 o 23.964  6.0024 5.1574   2.3093  25.672  9.7573 22.255  6.9936 3.417173       12.00483 
1 1 1 25 8  29 o 18.533  5.6023 0.0813   2.4471  19.075  8.7747 17.991  6.9675 1.083996       11.20455 
1 1 1 25 8  31 o 19.551  5.6530 0.6425   2.6751  17.750  8.3254 21.352  7.6494 -3.601997      11.30595 
1 1 1 25 8  33 o 43.656  4.6882 20.358   2.5524  44.355  8.1112 42.957  4.7038 1.397812       9.376415 
1 1 1 25 8  35 o 77.365  2.8571 59.424   2.8438  84.419  4.7872 70.311  3.1202 14.10721       5.714231 
1 1 1 25 8  37 o 17.459  5.3577 0.5773   2.4845  20.801  8.4641 14.118  6.5710 6.683143       10.71532 
1 1 1 25 8  39 o 17.429  5.7096 -0.4500  3.3751  16.324  7.6904 18.534  8.4415 -2.209541      11.41929 
1 1 1 25 9  0  o 490.522 4.3437 2410.21  42.606  490.522 4.3437 ?       ?      0.000000       0.000000 
1 1 1 25 9  2  o 276.788 2.0686 767.272  8.0561  276.371 3.0916 277.206 2.7491 -0.8348694     4.137119 
1 1 1 25 9  4  o 81.382  1.9148 66.508   2.1938  85.851  2.5554 76.912  2.8524 8.938469       3.829632 
1 1 1 25 9  6  o 134.959 1.8706 181.530  3.2176  136.094 3.2240 133.824 1.8982 2.270248       3.741276 
1 1 1 25 9  8  o 181.443 1.8083 328.455  4.4574  183.348 2.9284 179.538 2.1223 3.809219       3.616558 
1 1 1 25 9  10 o 120.625 1.9957 142.171  3.1698  127.280 3.3112 113.969 2.2289 13.31116       3.991452 
1 1 1 25 9  12 o 65.150  3.2403 41.327   2.6042  68.460  5.6501 61.840  3.1741 6.619736       6.480650 
1 1 1 25 9  14 o 45.333  3.6536 21.069   2.1568  43.426  6.2483 47.240  3.7885 -3.813549      7.307153 
1 1 1 25 9  16 o 62.350  3.4112 40.043   2.8923  56.805  5.5898 67.894  3.9115 -11.08928      6.822418 
1 1 1 25 9  18 o 81.243  2.3523 67.501   2.4940  77.607  4.0171 84.878  2.4486 -7.270950      4.704534 
1 1 1 25 9  20 o 51.602  3.5937 27.266   2.3650  50.037  6.2305 53.167  3.5833 -3.130840      7.187471 
1 1 1 25 9  22 o 81.514  2.7469 68.427   2.8145  77.947  4.8143 85.080  2.6464 -7.132912      5.493704 
1 1 1 25 9  24 f 30.814  6.3318 9.4613   2.6896  36.162  10.134 25.466  7.5942 10.69562       12.66360 
1 1 1 25 9  26 o 23.149  6.0046 4.2578   2.5980  21.953  9.2464 24.346  7.6632 -2.393036      12.00918 
1 1 1 25 9  28 o 35.546  5.9358 13.386   2.5469  35.028  10.710 36.063  5.1228 -1.035172      11.87168 
1 1 1 25 9  30 o 33.099  5.8226 11.136   2.6298  42.325  8.7538 23.872  7.6798 18.45267       11.64514 
1 1 1 25 9  32 o 38.982  5.8042 16.888   2.8294  38.418  10.197 39.546  5.5476 -1.127525      11.60834 
1 1 1 25 9  34 o 25.162  5.5159 5.2872   2.9066  17.711  8.4420 32.612  7.1016 -14.90156      11.03175 
1 1 1 25 9  36 o 32.514  5.9086 13.252   2.7055  32.170  9.1025 32.857  7.5361 -0.6868858     11.81728 
1 1 1 25 9  38 f 17.527  5.3643 1.1170   2.5428  16.129  7.4525 18.924  7.7178 -2.794859      10.72866 
1 1 1 25 10 1  o 189.040 1.7389 357.810  4.6473  187.221 2.4977 190.858 2.4199 -3.636673      3.477738 
1 1 1 25 10 3  o 103.065 1.9496 106.713  2.8242  100.035 2.9433 106.096 2.5575 -6.060883      3.899236 
1 1 1 25 10 5  o 145.469 1.8457 211.878  3.6638  145.442 2.9771 145.497 2.1824 -0.5455017E-01 3.691303 
1 1 1 25 10 7  f 98.220  1.7844 94.492   2.3039  102.982 2.9712 93.458  1.9768 9.524559       3.568705 
1 1 1 25 10 9  o 22.266  5.0943 4.7944   1.8545  20.902  7.6333 23.630  6.7484 -2.728441      10.18860 
1 1 1 25 10 11 o 47.373  3.3276 22.472   2.1923  48.257  5.1444 46.489  4.2223 1.767761       6.655239 
1 1 1 25 10 13 o 15.049  4.9337 -3.4525  2.1496  19.044  8.3241 11.053  5.2986 7.990970       9.867409 
1 1 1 25 10 15 o 84.822  2.3181 72.931   2.7347  79.466  3.6325 90.179  2.8809 -10.71289      4.636240 
1 1 1 25 10 17 o 44.866  4.1436 19.645   2.2043  46.971  7.3747 42.761  3.7803 4.209450       8.287108 
1 1 1 25 10 19 o 14.151  4.7483 -5.0831  2.3185  15.467  7.4177 12.836  5.9298 2.630087       9.496509 
1 1 1 25 10 21 f 105.525 2.0865 110.015  2.9460  109.812 3.4173 101.238 2.3951 8.573959       4.173050 
1 1 1 25 10 23 f 175.605 2.0570 309.208  4.8309  176.460 3.4026 174.750 2.3126 1.710602       4.114064 
1 1 1 25 10 25 o 132.430 1.9511 177.106  3.3795  130.835 3.3095 134.026 2.0676 -3.190674      3.902249 
1 1 1 25 10 27 o 123.940 2.4154 153.169  3.5662  125.824 4.3130 122.056 2.1758 3.768120       4.830757 
1 1 1 25 10 29 o 91.472  2.6162 83.270   3.0784  94.610  4.4546 88.334  2.7450 6.276421       5.232407 
1 1 1 25 10 31 o 40.729  6.0871 20.125   2.8977  33.939  11.314 47.519  4.4953 -13.57993      12.17424 
1 1 1 25 10 33 o 24.189  6.3953 5.7732   2.7712  24.574  10.227 23.804  7.6820 0.7702904      12.79069 
1 1 1 25 10 35 o 53.152  4.1388 29.820   2.7450  56.553  7.1460 49.750  4.1776 6.802616       8.277519 
1 1 1 25 10 37 o 24.186  5.9950 7.3512   2.6942  21.264  8.9435 27.109  7.9858 -5.844368      11.98992 
1 1 1 25 11 0  o 12.748  8.1539 0.5773   4.5031  12.748  8.1539 ?       ?      0.000000       0.000000 
1 1 1 25 11 2  o 64.522  2.5088 40.581   2.1485  68.781  4.1129 60.263  2.8740 8.518036       5.017577 
1 1 1 25 11 4  o 202.320 1.8147 410.236  4.9526  201.722 2.9765 202.919 2.0769 -1.197220      3.629443 
1 1 1 25 11 6  o 213.114 1.8894 454.356  5.4866  213.745 3.0521 212.483 2.2280 1.262100       3.778788 
1 1 1 25 11 8  o 138.303 1.8851 190.723  3.5052  139.952 3.0939 136.653 2.1546 3.298843       3.770188 
1 1 1 25 11 10 o 170.799 1.9773 291.118  4.6998  174.056 3.0515 167.542 2.5155 6.513519       3.954662 
1 1 1 25 11 12 f 98.289  2.1045 96.182   2.7712  100.005 3.4638 96.574  2.3912 3.431404       4.208986 
1 1 1 25 11 14 o 27.828  5.4295 7.9116   2.0874  29.153  8.7843 26.502  6.3838 2.650234       10.85895 
1 1 1 25 11 16 o 132.876 2.0843 178.486  3.6625  130.100 3.5056 135.653 2.2556 -5.552719      4.168621 
1 1 1 25 11 18 o 201.345 2.0456 404.289  5.6064  204.883 3.2968 197.807 2.4225 7.076294       4.091151 
1 1 1 25 11 20 o 166.783 1.9428 277.356  4.2892  169.189 3.2417 164.377 2.1424 4.812103       3.885674 
1 1 1 25 11 22 o 141.099 2.0467 200.331  3.7953  140.489 3.4519 141.709 2.2000 -1.220474      4.093330 
1 1 1 25 11 24 o 84.798  2.2715 72.227   2.5948  85.241  3.7251 84.355  2.6007 0.8859711      4.543100 
1 1 1 25 11 26 o 27.759  6.0943 7.7386   2.5038  32.207  9.5459 23.310  7.5788 8.897501       12.18859 
1 1 1 25 11 28 o 75.850  3.0231 59.349   2.6942  74.049  5.4576 77.652  2.6022 -3.602974      6.046176 
1 1 1 25 11 30 f 30.033  6.7473 9.4256   2.7549  33.032  11.445 27.035  7.1499 5.997345       13.49454 
1 1 1 25 11 32 o 35.849  5.7664 14.462   2.6268  35.523  10.090 36.175  5.5858 -0.6519318     11.53288 
1 1 1 25 11 34 o 26.396  6.6661 8.2817   2.8220  30.496  10.829 22.296  7.7776 8.200325       13.33225 
1 1 1 25 11 36 o 24.959  6.6406 7.7298   2.7963  28.740  10.862 21.178  7.6431 7.562332       13.28123 
1 1 1 25 11 38 o 16.293  5.1648 0.6424   2.4155  16.686  7.6974 15.899  6.8885 0.7866287      10.32964 
1 1 1 25 12 1  o 140.806 1.8324 195.954  3.5263  146.739 2.9114 134.873 2.2259 11.86595       3.664802 
1 1 1 25 12 3  o 111.989 1.9657 125.998  2.9716  110.980 3.2253 112.998 2.2480 -2.017899      3.931406 
1 1 1 25 12 5  o 173.259 1.6980 299.705  4.0388  175.009 2.7050 171.509 2.0533 3.499802       3.396092 
1 1 1 25 12 7  o 62.872  2.6703 38.978   2.2769  66.088  4.2805 59.656  3.1936 6.432758       5.340543 
1 1 1 25 12 9  o 66.084  2.8591 42.708   2.5948  72.540  4.3773 59.627  3.6793 12.91348       5.718160 
1 1 1 25 12 11 o 42.110  4.3594 18.199   2.3310  41.629  7.4838 42.591  4.4732 -0.9617004     8.718732 
1 1 1 25 12 13 o 81.199  2.7486 65.990   2.8463  81.646  4.7376 80.752  2.7882 0.8935394      5.497213 
1 1 1 25 12 15 o 64.702  2.9006 41.753   2.5351  66.027  4.7216 63.376  3.3705 2.651184       5.801171 
1 1 1 25 12 17 f 75.928  2.7663 60.917   2.6942  67.158  4.8140 84.697  2.7265 -17.53822      5.532512 
1 1 1 25 12 19 o 55.177  3.4651 31.360   2.4940  52.658  5.9203 57.695  3.6023 -5.036694      6.930137 
1 1 1 25 12 21 o 26.922  5.6856 7.2201   2.1496  30.392  9.1400 23.451  6.7651 6.941885       11.37129 
1 1 1 25 12 23 o 37.979  5.0084 15.783   2.4155  33.835  8.7935 42.124  4.7969 -8.288738      10.01679 
1 1 1 25 12 25 f 36.164  5.6306 13.459   2.6592  41.406  8.7730 30.922  7.0603 10.48312       11.26119 
1 1 1 25 12 27 o 32.350  6.0038 11.472   2.5980  32.101  10.143 32.599  6.4273 -0.4977722     12.00759 
1 1 1 25 12 29 o 18.928  5.9519 -2.2826  2.8086  25.691  10.357 12.165  5.8687 13.52628       11.90388 
1 1 1 25 12 31 o 22.978  5.3892 4.4727   2.4114  18.479  8.5301 27.477  6.5888 -8.997894      10.77843 
1 1 1 25 12 33 o 17.669  5.6738 -0.2135  2.5326  20.191  9.2865 15.146  6.5214 5.045328       11.34759 
1 1 1 25 12 35 o 17.449  5.5197 0.3868   2.4550  18.791  8.8151 16.108  6.6455 2.683241       11.03942 
1 1 1 25 12 37 o 13.331  4.5159 -3.2872  2.2095  15.144  7.1558 11.517  5.5107 3.626617       9.031855 
1 1 1 25 13 0  o 34.870  6.8757 13.509   4.2722  34.870  6.8757 ?       ?      0.000000       0.000000 
1 1 1 25 13 2  o 74.293  2.1659 55.712   2.2516  80.548  2.7953 68.037  3.3093 12.51117       4.331872 
1 1 1 25 13 4  o 151.886 1.8453 231.790  3.6992  150.750 3.1020 153.021 1.9996 -2.271103      3.690660 
1 1 1 25 13 6  o 292.658 2.2802 856.255  9.1299  295.448 3.6541 289.867 2.7286 5.580414       4.560443 
1 1 1 25 13 8  o 206.142 2.1937 420.980  6.0305  212.230 3.6180 200.053 2.4818 12.17708       4.387377 
1 1 1 25 13 10 o 149.330 1.7418 220.916  3.5658  154.951 2.7571 143.710 2.1292 11.24103       3.483545 
1 1 1 25 13 12 o 35.945  5.0363 12.838   2.2892  40.121  8.1976 31.768  5.8531 8.352802       10.07267 
1 1 1 25 13 14 o 54.425  3.8186 26.484   2.2841  62.214  6.8670 46.636  3.3424 15.57759       7.637206 
1 1 1 25 13 16 o 50.515  4.5762 28.343   2.7111  42.539  8.3035 58.492  3.8494 -15.95261      9.152342 
1 1 1 25 13 18 o 49.268  3.6407 22.951   2.3664  57.530  5.7201 41.006  4.5053 16.52402       7.281302 
1 1 1 25 13 20 o 79.456  2.4635 62.543   2.6083  82.570  4.0553 76.342  2.7981 6.228172       4.926955 
1 1 1 25 13 22 o 31.863  5.6674 10.685   2.4961  35.701  8.5162 28.026  7.4800 7.675047       11.33471 
1 1 1 25 13 24 o 23.298  6.0375 4.6263   2.4132  26.241  9.6029 20.355  7.3205 5.886087       12.07500 
1 1 1 25 13 26 o 46.125  4.0372 22.224   2.5143  44.223  6.6580 48.027  4.5679 -3.804184      8.074334 
1 1 1 25 13 28 o 24.748  5.8077 5.8911   2.5831  21.162  9.1684 28.335  7.1314 -7.172937      11.61534 
1 1 1 25 13 30 o 24.518  5.4855 6.4716   2.2530  21.380  8.6612 27.655  6.7338 -6.274427      10.97092 
1 1 1 25 13 32 o 25.066  6.0001 6.4089   2.4590  31.839  9.5682 18.293  7.2425 13.54668       12.00018 
1 1 1 25 13 34 o 22.631  5.7253 5.5875   2.4097  20.626  8.9789 24.637  7.1061 -4.011084      11.45063 
1 1 1 25 13 36 o 48.366  5.0720 28.420   2.6424  44.133  9.4327 52.600  3.7317 -8.467628      10.14409 
1 1 1 25 14 1  o 163.974 1.5941 269.321  3.6949  166.913 2.2136 161.034 2.2945 5.879776       3.188227 
1 1 1 25 14 3  o 57.001  2.6932 32.965   2.1361  62.926  3.3946 51.076  4.1822 11.85014       5.386495 
1 1 1 25 14 5  o 32.067  5.1490 11.113   2.2352  27.668  8.9657 36.466  5.0662 -8.798103      10.29802 
1 1 1 25 14 7  o 38.485  4.2041 14.878   2.1773  45.636  5.5662 31.333  6.3020 14.30352       8.408205 
1 1 1 25 14 9  o 40.363  4.8874 17.951   2.3916  34.753  8.7931 45.974  4.2696 -11.22176      9.774849 
1 1 1 25 14 11 o 65.629  2.6462 43.193   2.3574  65.807  4.2988 65.451  3.0872 0.3560257      5.292486 
1 1 1 25 14 13 o 49.947  4.6467 26.532   2.4586  47.134  8.6521 52.760  3.3921 -5.626034      9.293306 
1 1 1 25 14 15 o 15.288  5.0452 -7.5680  2.9102  13.522  6.7021 17.053  7.5431 -3.530741      10.09048 
1 1 1 25 14 17 o 80.561  2.6820 65.677   2.7530  79.641  4.6394 81.481  2.6924 -1.840477      5.364097 
1 1 1 25 14 19 o 124.378 2.1404 155.052  3.4476  125.014 3.6483 123.742 2.2395 1.271660       4.280775 
1 1 1 25 14 21 o 92.369  2.4008 86.805   2.9716  89.756  3.9879 94.982  2.6744 -5.226166      4.801676 
1 1 1 25 14 23 o 33.425  5.5921 12.469   2.5815  28.052  9.8180 38.799  5.3568 -10.74621      11.18429 
1 1 1 25 14 25 o 81.027  2.5259 66.064   2.7525  82.261  4.1407 79.794  2.8941 2.467072       5.051870 
1 1 1 25 14 27 o 33.967  6.6977 12.373   2.8426  36.216  11.662 31.717  6.5901 4.498714       13.39532 
1 1 1 25 14 29 o 22.960  6.2574 4.0681   2.4586  29.263  10.510 16.658  6.7941 12.60507       12.51485 
1 1 1 25 14 31 o 29.193  6.4809 9.1439   2.6013  35.649  10.672 22.738  7.3567 12.91090       12.96185 
1 1 1 25 14 33 o 17.080  5.4186 -0.4188  2.4915  17.894  8.4892 16.267  6.7363 1.627520       10.83713 
1 1 1 25 14 35 o 24.360  6.0240 6.9831   2.5603  22.228  10.103 26.491  6.5632 -4.263710      12.04807 
1 1 1 25 15 0  o 58.716  3.3662 34.870   3.9258  58.716  3.3662 ?       ?      0.000000       0.000000 
1 1 1 25 15 2  o 28.953  5.4520 8.8206   2.2801  27.429  7.8235 30.478  7.5955 -3.048450      10.90406 
1 1 1 25 15 4  o 114.414 1.6413 131.110  2.6557  114.792 2.3135 114.035 2.3288 0.7568893      3.282616 
1 1 1 25 15 6  o 29.355  6.1651 8.8693   2.7140  28.579  9.6717 30.131  7.6481 -1.551836      12.33028 
1 1 1 25 15 8  o 104.860 1.9133 109.521  2.6926  106.499 3.1441 103.222 2.1813 3.276711       3.826697 
1 1 1 25 15 10 f 100.429 2.3156 102.664  2.9534  97.538  4.0249 103.320 2.2910 -5.781982      4.631230 
1 1 1 25 15 12 o 85.875  2.2639 73.297   2.5906  87.926  3.7426 83.825  2.5483 4.101357       4.527803 
1 1 1 25 15 14 o 53.944  3.6789 29.629   2.6545  52.874  6.1145 55.014  4.0927 -2.139957      7.357816 
1 1 1 25 15 16 f 48.487  4.4937 25.247   2.4370  45.049  8.2532 51.925  3.5579 -6.875645      8.987408 
1 1 1 25 15 18 o 97.479  2.2999 96.590   2.9030  95.246  3.9399 99.712  2.3739 -4.466339      4.599801 
1 1 1 25 15 20 o 71.974  3.3089 55.008   2.6546  67.149  6.1043 76.800  2.5559 -9.650673      6.617787 
1 1 1 25 15 22 o 21.530  5.9061 3.3134   2.5298  23.171  8.8778 19.888  7.7917 3.283716       11.81211 
1 1 1 25 15 24 o 103.439 2.2183 106.966  3.1495  106.961 3.5084 99.918  2.7157 7.043365       4.436610 
1 1 1 25 15 26 o 75.909  3.2720 58.394   3.0396  77.053  5.7693 74.765  3.0887 2.287720       6.544059 
1 1 1 25 15 28 o 22.193  5.7274 3.4462   2.5580  19.453  9.0056 24.932  7.0788 -5.479033      11.45477 
1 1 1 25 15 30 o 28.318  6.8089 8.5066   2.7446  34.011  11.386 22.625  7.4697 11.38551       13.61774 
1 1 1 25 15 32 o 26.907  6.7679 8.3403   2.7340  32.663  11.302 21.151  7.4482 11.51203       13.53581 
1 1 1 25 15 34 o 19.924  5.7940 3.4768   2.4586  20.367  9.1687 19.481  7.0864 0.8856373      11.58808 
1 1 1 25 15 36 o 18.824  5.2461 3.0225   2.2414  16.756  7.8008 20.892  7.0166 -4.135204      10.49216 
1 1 1 25 16 1  o 203.276 1.8580 413.918  5.3388  207.999 2.6091 198.554 2.6460 9.444824       3.715956 
1 1 1 25 16 3  o 144.311 1.6860 207.636  3.3941  147.667 2.5804 140.956 2.1708 6.711121       3.372015 
1 1 1 25 16 5  o 134.575 1.6835 181.264  3.2018  137.958 2.3853 131.192 2.3763 6.766449       3.366999 
1 1 1 25 16 7  o 188.462 1.7566 356.012  4.6699  189.547 2.3757 187.376 2.5881 2.170776       3.513180 
1 1 1 25 16 9  o 101.817 2.0530 103.963  2.7469  101.781 3.4600 101.852 2.2106 -0.7089996E-01 4.105935 
1 1 1 25 16 11 o 81.309  2.5111 67.460   2.6256  78.665  4.3300 83.952  2.5444 -5.287300      5.022259 
1 1 1 25 16 13 o 41.077  4.0495 16.578   2.2769  45.944  6.1572 36.210  5.2614 9.734241       8.098994 
1 1 1 25 16 15 f 19.591  5.8916 0.5773   2.4632  24.260  9.8109 14.922  6.5262 9.337578       11.78323 
1 1 1 25 16 17 o 71.349  2.6477 52.113   2.5351  68.222  4.4004 74.476  2.9457 -6.253662      5.295360 
1 1 1 25 16 19 o 97.063  2.3057 94.778   2.8463  97.049  3.9857 97.078  2.3193 -0.2899170E-01 4.611406 
1 1 1 25 16 21 o 57.050  3.9600 34.312   2.7375  53.788  7.0840 60.312  3.5417 -6.524223      7.920054 
1 1 1 25 16 23 o 54.225  3.1709 29.646   2.3574  56.434  5.0127 52.017  3.8846 4.416767       6.341710 
1 1 1 25 16 25 o 63.600  3.6832 42.135   2.9695  62.216  6.4028 64.984  3.6425 -2.767872      7.366361 
1 1 1 25 16 27 o 21.508  6.2767 2.7889   2.5580  26.548  10.530 16.469  6.8336 10.07875       12.55337 
1 1 1 25 16 29 o 18.067  5.7254 -0.0683  2.4035  22.678  9.7082 13.456  6.0720 9.222063       11.45073 
1 1 1 25 16 31 o 34.582  5.8408 16.092   2.7554  26.584  10.674 42.581  4.7454 -15.99668      11.68152 
1 1 1 25 16 33 o 19.188  5.8956 2.3069   2.4035  24.123  9.9826 14.253  6.2756 9.869766       11.79127 
1 1 1 25 16 35 o 22.538  5.2119 4.8676   2.5041  17.111  8.4138 27.964  6.1535 -10.85285      10.42390 
1 1 1 25 17 0  o 246.375 3.5634 608.614  17.551  246.375 3.5634 ?       ?      0.000000       0.000000 
1 1 1 25 17 2  o 180.459 1.7979 325.832  4.5808  176.061 2.4921 184.858 2.5921 -8.796417      3.595815 
1 1 1 25 17 4  o 169.509 1.7941 287.858  4.2993  167.047 2.5229 171.970 2.5514 -4.923431      3.588144 
1 1 1 25 17 6  o 111.588 1.9088 125.058  2.9921  113.028 2.5028 110.148 2.8827 2.880096       3.817625 
1 1 1 25 17 8  o 86.846  1.9975 75.599   2.4506  88.266  2.8779 85.427  2.7708 2.838684       3.994975 
1 1 1 25 17 10 o 85.987  2.2970 73.829   2.6083  87.143  3.8425 84.831  2.5181 2.312210       4.594079 
1 1 1 25 17 12 o 79.058  3.0878 63.360   2.9980  78.305  5.4559 79.812  2.8934 -1.506889      6.175625 
1 1 1 25 17 14 o 96.906  2.4225 93.742   2.9209  98.154  4.2349 95.657  2.3538 2.497284       4.845055 
1 1 1 25 17 16 o 26.849  6.2973 6.9301   2.9621  23.195  9.3564 30.502  8.4308 -7.306286      12.59451 
1 1 1 25 17 18 o 54.433  3.4753 30.194   2.4697  53.783  5.9038 55.084  3.6683 -1.300331      6.950673 
1 1 1 25 17 20 o 55.007  3.7348 29.776   2.6603  59.033  6.2590 50.981  4.0768 8.052139       7.469615 
1 1 1 25 17 22 o 74.488  2.9690 57.668   2.8911  70.634  5.0675 78.341  3.0951 -7.707451      5.937997 
1 1 1 25 17 24 o 83.248  3.2644 72.803   3.2433  79.671  5.8695 86.824  2.8592 -7.153175      6.528895 
1 1 1 25 17 26 o 45.960  4.4821 21.554   2.7071  50.234  7.3553 41.686  5.1242 8.548069       8.964265 
1 1 1 25 17 28 o 20.481  6.0153 2.6021   2.4759  24.658  9.9222 16.304  6.8035 8.354933       12.03065 
1 1 1 25 17 30 f 35.145  6.1060 15.109   2.7194  34.329  10.843 35.962  5.6188 -1.633354      12.21193 
1 1 1 25 17 32 o 24.681  6.5635 7.3726   2.6001  28.655  10.955 20.707  7.2321 7.948673       13.12694 
1 1 1 25 17 34 o 33.774  6.1066 16.249   2.7554  29.622  10.990 37.925  5.3280 -8.302736      12.21329 
1 1 1 25 18 1  o 76.216  2.8430 57.655   2.8855  73.671  3.2130 78.761  4.6912 -5.090256      5.686009 
1 1 1 25 18 3  o 108.270 2.1861 118.097  3.2892  110.150 2.7255 106.391 3.4187 3.759209       4.372113 
1 1 1 25 18 5  o 103.580 1.8526 107.613  2.7134  104.583 2.5945 102.576 2.6453 2.006531       3.705256 
1 1 1 25 18 7  o 43.593  3.8284 19.698   2.2801  37.361  6.1810 49.824  4.5190 -12.46273      7.656746 
1 1 1 25 18 9  f 57.447  2.9147 33.105   2.3544  52.960  4.1424 61.934  4.1015 -8.973289      5.829390 
1 1 1 25 18 11 o 22.518  6.1570 3.4986   2.6268  23.347  9.7166 21.689  7.5646 1.658693       12.31409 
1 1 1 25 18 13 o 24.187  6.1935 4.6142   2.7450  22.735  9.7945 25.639  7.5833 -2.903334      12.38707 
1 1 1 25 18 15 o 70.351  3.1467 48.044   2.9534  77.878  5.0410 62.824  3.7677 15.05381       6.293397 
1 1 1 25 18 17 o 155.848 2.0906 242.867  4.3318  157.891 3.4737 153.806 2.3272 4.084900       4.181176 
1 1 1 25 18 19 o 101.607 2.4963 104.640  3.2474  100.633 4.3027 102.581 2.5326 -1.947319      4.992688 
1 1 1 25 18 21 o 28.275  6.4810 8.1158   3.0530  25.277  10.590 31.273  7.4750 -5.995974      12.96203 
1 1 1 25 18 23 o 23.404  6.2243 3.9258   2.5402  30.669  10.407 16.139  6.8303 14.52984       12.44851 
1 1 1 25 18 25 o 40.294  6.1167 18.968   2.8977  36.897  11.214 43.690  4.8892 -6.792828      12.23342 
1 1 1 25 18 27 f 51.944  4.1956 28.910   2.7981  51.145  7.2242 52.743  4.2690 -1.597179      8.391279 
1 1 1 25 18 29 o 41.959  6.0084 20.497   2.9326  43.465  10.794 40.452  5.2805 3.012318       12.01671 
1 1 1 25 18 31 o 18.770  5.8563 1.9518   2.6424  21.331  9.4649 16.209  6.8993 5.122847       11.71260 
1 1 1 25 18 33 f 36.869  6.3140 19.665   2.9439  32.085  11.540 41.652  5.1284 -9.566845      12.62792 
1 1 1 25 19 0  o 160.630 2.8413 258.756  9.1217  160.630 2.8413 ?       ?      0.000000       0.000000 
1 1 1 25 19 2  o 137.937 2.5469 193.168  4.4394  140.467 2.5071 135.408 4.4341 5.058762       5.093834 
1 1 1 25 19 4  o 123.664 1.8913 153.855  3.2745  125.678 2.4346 121.649 2.8949 4.029541       3.782616 
1 1 1 25 19 6  o 172.659 1.8333 299.169  4.4696  172.679 2.5075 172.640 2.6753 0.3944397E-01  3.666693 
1 1 1 25 19 8  o 157.225 1.8564 248.071  4.1260  159.029 2.6501 155.420 2.6002 3.609558       3.712717 
1 1 1 25 19 10 o 57.701  3.0656 34.015   2.4125  59.785  3.5729 55.616  4.9826 4.169113       6.131270 
1 1 1 25 19 12 o 49.036  4.5906 24.834   2.9460  48.172  7.7900 49.900  4.8593 -1.727638      9.181284 
1 1 1 25 19 14 o 66.176  3.4324 44.023   2.7069  66.834  6.1331 65.519  3.0840 1.315277       6.864847 
1 1 1 25 19 16 o 61.104  3.5979 37.430   3.0491  65.606  5.4559 56.602  4.6919 9.004181       7.195841 
1 1 1 25 19 18 o 54.214  4.0493 28.360   2.7194  59.794  6.9517 48.634  4.1548 11.16063       8.098670 
1 1 1 25 19 20 o 67.369  3.6541 46.237   3.2144  68.236  6.1763 66.502  3.9066 1.734055       7.308114 
1 1 1 25 19 22 o 20.245  5.9014 2.1185   2.7055  20.750  8.7126 19.740  7.9622 1.010181       11.80281 
1 1 1 25 19 24 o 32.728  6.2759 11.481   2.6013  37.680  10.495 27.776  6.8849 9.904331       12.55171 
1 1 1 25 19 26 o 30.686  6.4996 11.095   2.8220  31.103  10.850 30.270  7.1601 0.8333015      12.99929 
1 1 1 25 19 28 o 28.778  6.5646 10.687   2.9369  28.935  10.429 28.621  7.9764 0.3144493      13.12926 
1 1 1 25 19 30 o 19.752  6.1214 2.5442   2.9503  21.317  9.6865 18.187  7.4873 3.129263       12.24285 
1 1 1 25 19 32 o 20.174  6.1533 4.3433   2.9351  21.846  9.6829 18.503  7.5958 3.343349       12.30669 
1 1 1 25 20 1  o 135.275 2.1115 183.288  4.0206  131.078 2.8629 139.473 3.1045 -8.394333      4.223021 
1 1 1 25 20 3  o 48.804  4.0944 24.418   2.7854  50.469  5.1477 47.140  6.3685 3.328983       8.188757 
1 1 1 25 20 5  o 50.957  3.0851 26.252   2.2193  51.331  4.4988 50.584  4.2229 0.7472229      6.170263 
1 1 1 25 20 7  o 15.145  4.9228 -3.7166  2.4533  16.449  7.3517 13.841  6.5489 2.607930       9.845573 
1 1 1 25 20 9  o 66.340  2.7421 44.363   2.5532  65.521  3.6126 67.159  4.1263 -1.637520      5.484236 
1 1 1 25 20 11 o 35.474  4.8959 13.394   2.3670  36.789  6.6804 34.159  7.1592 2.630268       9.791872 
1 1 1 25 20 13 o 15.983  5.3580 -5.8124  2.8757  19.085  8.7499 12.881  6.1863 6.204772       10.71592 
1 1 1 25 20 15 o 19.357  5.5805 0.2015   2.5357  18.028  8.5015 20.687  7.2315 -2.659304      11.16110 
1 1 1 25 20 17 o 32.977  5.8885 10.540   2.8463  45.595  8.7975 20.359  7.8294 25.23572       11.77691 
1 1 1 25 20 19 o 59.258  3.4465 34.255   2.5402  64.222  5.9331 54.294  3.5090 9.928047       6.893062 
1 1 1 25 20 21 o 17.473  5.5424 -1.5934  2.7712  18.052  8.3040 16.895  7.3426 1.157166       11.08470 
1 1 1 25 20 23 f 23.411  6.6165 4.5867   3.0260  25.388  10.533 21.434  8.0112 3.953398       13.23301 
1 1 1 25 20 25 o 17.687  5.7285 -1.3427  2.7316  21.813  9.5610 13.562  6.3127 8.250356       11.45703 
1 1 1 25 20 27 o 28.996  5.7763 10.722   2.6926  23.352  9.3826 34.640  6.7403 -11.28822      11.55269 
1 1 1 25 20 29 o 22.121  6.4177 4.9410   3.0538  22.264  10.147 21.978  7.8604 0.2852592      12.83536 
1 1 1 25 20 31 o 19.649  6.1842 3.3923   2.9503  22.905  10.099 16.393  7.1409 6.512421       12.36843 
1 1 1 25 21 0  o 93.041  3.7988 87.407   7.0433  93.041  3.7988 ?       ?      0.000000       0.000000 
1 1 1 25 21 2  o 61.866  3.0184 38.814   2.6113  61.017  4.6362 62.716  3.8662 -1.699261      6.036760 
1 1 1 25 21 4  o 22.942  6.2166 4.0130   2.7994  22.597  8.4108 23.288  9.1567 -0.6917610     12.43329 
1 1 1 25 21 6  o 49.337  3.6524 24.807   2.5350  50.253  4.8251 48.422  5.4845 1.831882       7.304865 
1 1 1 25 21 8  o 89.341  2.3304 80.363   2.9443  89.018  3.3076 89.664  3.2837 -0.6462021     4.660798 
1 1 1 25 21 10 o 92.848  2.2416 86.466   2.9262  95.689  3.3183 90.007  3.0147 5.682106       4.483258 
1 1 1 25 21 12 o 69.161  2.6309 48.407   2.5688  67.399  3.8546 70.922  3.5817 -3.522758      5.261781 
1 1 1 25 21 14 o 59.220  4.2581 37.225   3.0463  56.028  7.6252 62.412  3.7926 -6.384342      8.516261 
1 1 1 25 21 16 o 18.691  5.8052 -0.8059  2.6915  23.113  9.5892 14.269  6.5458 8.844294       11.61036 
1 1 1 25 21 18 o 51.161  5.2632 28.823   3.3617  48.165  9.1991 54.156  5.1169 -5.991131      10.52647 
1 1 1 25 21 20 o 50.952  4.4469 27.633   2.6812  49.763  8.0050 52.141  3.8753 -2.378521      8.893715 
1 1 1 25 21 22 o 58.617  4.4797 36.012   3.1166  59.866  8.0042 57.368  4.0254 2.497715       8.959373 
1 1 1 25 21 24 o 24.345  6.5766 6.1966   3.0791  23.787  10.362 24.903  8.1021 -1.115913      13.15317 
1 1 1 25 21 26 o 17.549  5.4765 0.0583   2.6926  17.032  7.9605 18.067  7.5232 -1.034992      10.95299 
1 1 1 25 21 28 o 31.146  6.5078 13.550   3.1030  27.490  10.943 34.802  7.0474 -7.312346      13.01567 
1 1 1 25 21 30 o 22.016  6.2667 5.2442   3.2399  19.963  9.5624 24.069  8.1021 -4.106314      12.53331 
1 1 1 25 22 1  o 81.475  2.6316 66.983   3.0307  80.618  3.7955 82.332  3.6463 -1.714203      5.263197 
1 1 1 25 22 3  o 75.282  2.6027 56.946   2.7603  79.919  3.6842 70.645  3.6775 9.273766       5.205443 
1 1 1 25 22 5  o 102.991 2.4814 106.481  3.3087  102.213 2.5982 103.769 4.2283 -1.556297      4.962770 
1 1 1 25 22 7  o 57.657  3.0241 33.797   2.4451  58.905  3.9204 56.409  4.6056 2.496086       6.048209 
1 1 1 25 22 9  o 51.968  3.5894 27.574   2.6240  55.933  4.8512 48.004  5.2917 7.929218       7.178880 
1 1 1 25 22 11 o 35.631  5.0160 13.568   2.4811  31.975  7.6702 39.286  6.4659 -7.311272      10.03196 
1 1 1 25 22 13 o 56.821  2.9949 32.810   2.3872  51.245  4.3937 62.397  4.0711 -11.15147      5.989864 
1 1 1 25 22 15 o 21.628  5.7012 4.0635   2.3677  22.627  7.7887 20.628  8.3277 1.998886       11.40240 
1 1 1 25 22 17 o 25.304  6.7080 5.9279   2.9760  26.908  10.770 23.700  8.0002 3.208004       13.41606 
1 1 1 25 22 19 o 39.055  6.1802 18.878   3.3189  30.551  10.965 47.558  5.7055 -17.00650      12.36046 
1 1 1 25 22 21 o 27.412  7.0401 8.1062   3.2150  31.829  11.339 22.996  8.3479 8.832577       14.08017 
1 1 1 25 22 23 o 24.548  6.4632 6.7374   2.7850  24.479  10.607 24.616  7.3882 -0.1370964     12.92642 
1 1 1 25 22 25 o 21.091  6.2297 3.6949   2.8757  24.863  10.001 17.319  7.4310 7.543835       12.45940 
1 1 1 25 22 27 o 17.301  5.7208 -1.4507  3.1087  19.510  9.0929 15.093  6.9449 4.416347       11.44168 
1 1 1 25 22 29 o 30.054  6.4457 13.588   3.1936  25.151  10.813 34.957  7.0183 -9.806036      12.89137 
1 1 1 25 23 0  o 90.625  3.2582 82.788   5.8887  90.625  3.2582 ?       ?      0.000000       0.000000 
1 1 1 25 23 2  o 74.009  3.0007 54.957   3.1017  78.484  4.4871 69.533  3.9854 8.951805       6.001447 
1 1 1 25 23 4  o 91.245  2.1486 83.903   2.7699  91.734  2.9579 90.756  3.1170 0.9776764      4.297116 
1 1 1 25 23 6  f 71.768  3.1132 52.510   3.1334  72.814  4.0436 70.723  4.7347 2.091553       6.226399 
1 1 1 25 23 8  o 19.075  5.5021 1.1777   2.4533  16.127  7.2352 22.023  8.2912 -5.895525      11.00419 
1 1 1 25 23 10 o 54.675  3.2479 30.536   2.5110  55.031  4.6160 54.319  4.5702 0.7119904      6.495730 
1 1 1 25 23 12 o 84.061  2.3565 71.439   2.7926  89.050  3.3064 79.072  3.3586 9.977753       4.712977 
1 1 1 25 23 14 o 22.704  5.8318 4.8658   2.4533  21.019  8.1924 24.389  8.3022 -3.370556      11.66364 
1 1 1 25 23 16 o 21.537  5.3598 1.6736   2.6693  28.766  8.2181 14.308  6.8828 14.45770       10.71961 
1 1 1 25 23 18 f 30.470  7.1528 9.3914   3.5889  40.582  11.542 20.357  8.4520 20.22570       14.30559 
1 1 1 25 23 20 o 34.698  5.8582 14.812   2.9317  28.224  10.046 41.172  6.0296 -12.94740      11.71639 
1 1 1 25 23 22 o 22.885  6.3674 4.8495   3.1560  21.229  9.7412 24.540  8.2027 -3.311039      12.73483 
1 1 1 25 23 24 o 29.579  6.4094 10.861   3.0666  38.988  9.8995 20.170  8.1438 18.81804       12.81881 
1 1 1 25 23 26 o 18.415  5.9705 0.5401   3.1299  20.513  9.4951 16.316  7.2410 4.197720       11.94104 
1 1 1 25 24 1  o 57.267  3.5405 33.742   2.8575  54.933  5.2548 59.601  4.7464 -4.667923      7.081017 
1 1 1 25 24 3  o 49.975  4.8875 27.891   3.0280  42.319  8.6207 57.630  4.6082 -15.31032      9.775054 
1 1 1 25 24 5  o 19.078  5.6490 0.7753   2.6265  17.144  7.6346 21.013  8.3281 -3.868353      11.29797 
1 1 1 25 24 7  o 36.978  5.8418 15.584   3.1658  46.375  6.4735 27.581  9.7264 18.79419       11.68369 
1 1 1 25 24 9  o 56.222  3.4541 32.616   2.7347  56.265  4.6174 56.179  5.1383 0.8589935E-01  6.908118 
1 1 1 25 24 11 o 88.321  2.2411 78.897   2.7926  90.418  3.2564 86.225  3.0800 4.192772       4.482203 
1 1 1 25 24 13 o 61.817  3.0428 39.373   2.6557  63.872  4.1578 59.763  4.4437 4.109234       6.085560 
1 1 1 25 24 15 o 58.596  3.3573 35.847   2.7699  56.378  5.0177 60.814  4.4618 -4.435356      6.714546 
1 1 1 25 24 17 o 47.751  3.5908 24.177   2.3955  51.650  4.5828 43.853  5.5293 7.797153       7.181600 
1 1 1 25 24 19 o 25.233  6.8394 7.3509   3.2201  25.799  10.871 24.667  8.3022 1.131859       13.67877 
1 1 1 25 24 21 o 40.550  6.4537 20.253   3.2706  40.684  11.352 40.417  6.1422 0.2665520      12.90748 
1 1 1 25 24 23 o 26.425  6.0393 9.1856   2.7981  22.442  9.5056 30.409  7.4522 -7.967686      12.07857 
1 1 1 25 24 25 o 25.333  7.0292 9.6527   3.3203  28.257  11.275 22.408  8.3968 5.848402       14.05843 
1 1 1 25 25 0  o 79.614  4.0099 64.545   6.3506  79.614  4.0099 ?       ?      0.000000       0.000000 
1 1 1 25 25 2  o 99.484  2.1744 100.122  3.0555  101.554 3.1267 97.414  3.0225 4.140327       4.348752 
1 1 1 25 25 4  o 58.350  3.7899 35.599   3.0668  56.038  5.9754 60.661  4.6634 -4.623737      7.579747 
1 1 1 25 25 6  o 59.002  3.5290 35.907   2.9398  61.470  4.9778 56.534  5.0038 4.935238       7.058065 
1 1 1 25 25 8  o 32.891  6.5561 12.482   3.1022  33.965  7.6612 31.817  10.641 2.147644       13.11215 
1 1 1 25 25 10 o 14.827  4.9013 -3.9258  2.5350  14.411  6.7471 15.244  7.1110 -0.8326206     9.802554 
1 1 1 25 25 12 o 18.771  5.4398 2.0870   2.3078  18.976  7.6649 18.566  7.7212 0.4099655      10.87969 
1 1 1 25 25 14 o 36.088  6.2839 15.505   3.2165  30.798  9.1154 41.377  8.6521 -10.57889      12.56778 
1 1 1 25 25 16 o 66.942  3.0299 47.265   2.7994  69.246  3.6684 64.637  4.8232 4.609604       6.059705 
1 1 1 25 25 18 o 55.768  3.5878 33.764   2.7997  60.057  4.6142 51.479  5.4953 8.578697       7.175547 
1 1 1 25 25 20 o 40.876  6.3224 22.307   2.8723  35.098  11.880 46.654  4.3311 -11.55572      12.64487 
1 1 1 25 25 22 o 30.210  7.3519 12.838   3.5269  35.240  11.741 25.180  8.8515 10.05947       14.70373 
1 1 1 25 25 24 o 17.405  5.7925 -0.9619  3.2922  20.555  9.3833 14.255  6.7946 6.300155       11.58507 
1 1 1 25 26 1  o 67.957  2.9439 47.302   2.8100  66.201  3.9244 69.713  4.3891 -3.512344      5.887717 
1 1 1 25 26 3  o 93.182  2.5053 88.841   3.2897  89.896  3.7248 96.469  3.3514 -6.573067      5.010589 
1 1 1 25 26 5  o 115.801 2.3694 136.855  3.8543  114.621 3.5761 116.982 3.1091 -2.360664      4.738719 
1 1 1 25 26 7  o 114.751 2.1346 133.787  3.4601  113.582 2.9481 115.920 3.0878 -2.338181      4.269157 
1 1 1 25 26 9  o 58.109  5.2487 40.737   3.3969  69.472  3.9889 46.745  9.7100 22.72760       10.49738 
1 1 1 25 26 11 o 14.649  4.8751 -4.3479  2.5928  15.268  7.1463 14.031  6.6329 1.236590       9.750127 
1 1 1 25 26 13 o 20.857  5.9059 2.9051   2.8762  24.242  8.7347 17.472  7.9514 6.770273       11.81185 
1 1 1 25 26 15 o 22.690  5.7984 4.1844   2.8855  15.960  7.4616 29.421  8.8774 -13.46080      11.59672 
1 1 1 25 26 17 o 49.291  4.3123 27.170   2.9843  48.695  5.6909 49.888  6.4806 -1.192921      8.624630 
1 1 1 25 26 19 o 38.744  5.5159 19.053   2.7931  43.326  5.4632 34.161  9.5841 9.164955       11.03184 
1 1 1 25 26 21 o 29.672  7.1301 13.680   3.4463  29.150  11.480 30.194  8.4599 -1.044161      14.26018 
1 1 1 25 27 0  o 21.958  10.652 7.8516   5.4268  21.958  10.652 ?       ?      0.000000       0.000000 
1 1 1 25 27 2  o 49.278  4.2996 26.185   2.9662  51.327  5.5115 47.230  6.6008 4.096817       8.599274 
1 1 1 25 27 4  o 52.588  4.1181 29.526   3.0500  52.932  6.1078 52.243  5.5254 0.6894226      8.236216 
1 1 1 25 27 6  o 107.652 2.2946 118.477  3.4926  107.042 3.2900 108.261 3.1996 -1.219353      4.589287 
1 1 1 25 27 8  o 94.128  2.4833 91.531   3.2867  97.231  3.2657 91.024  3.7421 6.206978       4.966683 
1 1 1 25 27 10 o 23.648  6.5648 6.1914   3.1290  22.212  8.5840 25.084  9.9350 -2.871477      13.12965 
1 1 1 25 27 12 o 21.382  6.0918 3.4062   3.0598  17.359  7.9138 25.406  9.2635 -8.046705      12.18358 
1 1 1 25 27 14 o 22.894  5.5972 4.6530   2.7122  30.039  8.4740 15.749  7.3147 14.28966       11.19433 
1 1 1 25 27 16 o 25.842  5.9280 8.6395   2.6265  30.275  8.3258 21.409  8.4407 8.865345       11.85598 
1 1 1 25 27 18 o 15.791  5.0204 -2.4649  2.6243  18.540  7.7166 13.043  6.4243 5.497576       10.04081 
1 1 1 25 27 20 o 18.515  5.8325 0.1126   3.4168  15.631  7.6208 21.398  8.8314 -5.767536      11.66496 
1 1 1 25 28 1  o 50.507  4.0763 27.812   2.8923  53.438  5.9420 47.576  5.5820 5.861824       8.152618 
1 1 1 25 28 3  o 28.681  5.9086 10.259   2.8505  35.534  7.8461 21.827  8.8366 13.70728       11.81724 
1 1 1 25 28 5  o 58.683  3.5138 36.985   2.9083  61.805  4.9508 55.560  4.9876 6.244591       7.027568 
1 1 1 25 28 7  o 23.906  6.1644 6.1709   2.8225  29.319  9.4986 18.494  7.8597 10.82413       12.32875 
1 1 1 25 28 9  o 22.801  6.3578 5.3114   3.1175  20.058  8.6210 25.545  9.3469 -5.487585      12.71562 
1 1 1 25 28 11 o 28.413  6.7787 11.115   3.2237  27.974  9.3262 28.853  9.8399 -0.8797836     13.55736 
1 1 1 25 28 13 f 27.941  6.5634 10.644   2.9515  25.624  8.4975 30.258  10.005 -4.634333      13.12685 
1 1 1 25 28 15 o 16.952  5.4573 -0.6162  2.7535  14.072  6.6023 19.831  8.6913 -5.759468      10.91465 
1 1 1 25 28 17 o 31.677  6.0530 14.230   2.8435  26.215  8.6885 37.138  8.4299 -10.92291      12.10595 
1 1 1 25 29 0  o 10.781  7.6147 -4.7340  6.1196  10.781  7.6147 ?       ?      0.000000       0.000000 
1 1 1 25 29 2  o 22.091  6.3133 4.8848   3.1079  23.415  8.9676 20.766  8.8891 2.648472       12.62667 
1 1 1 25 29 4  o 37.772  5.7471 18.728   3.0908  47.378  5.9708 28.165  9.8218 19.21273       11.49427 
1 1 1 25 29 6  o 24.781  6.7581 7.9532   3.3771  23.193  9.3560 26.370  9.7545 -3.177435      13.51613 
1 1 1 25 29 8  o 36.733  5.6582 17.103   2.8551  35.064  8.0660 38.401  7.9373 -3.336308      11.31639 
1 1 1 25 29 10 o 52.168  4.1850 30.743   3.0819  53.618  6.0297 50.719  5.8052 2.899090       8.370067 
1 1 1 25 29 12 o 40.669  6.0030 22.894   3.4553  51.545  6.3842 29.792  10.168 21.75323       12.00609 
1 1 1 25 29 14 o 22.912  6.1153 7.3537   2.7603  21.451  8.7259 24.373  8.5701 -2.922239      12.23067 
1 1 1 25 30 1  o 45.524  5.0218 24.652   3.2330  45.587  7.0919 45.460  7.1117 0.1268158      10.04351 
1 1 1 25 30 3  o 74.522  3.1526 60.025   3.2867  78.820  4.0285 70.224  4.8505 8.596596       6.305262 
1 1 1 25 30 5  o 54.731  3.7723 33.173   2.8923  53.848  4.9318 55.614  5.7095 -1.766235      7.544575 
1 1 1 25 30 7  o 56.710  4.2881 37.401   3.4290  56.895  5.7839 56.526  6.3323 0.3692894      8.576229 
1 1 1 25 30 9  o 76.818  2.9481 63.990   3.1914  79.137  4.3042 74.500  4.0297 4.637184       5.896131 
1 1 1 25 30 11 o 41.578  6.0115 23.423   3.3941  37.491  9.9829 45.666  6.7004 -8.175514      12.02305 
1 1 1 25 31 0  o 13.258  8.9855 -0.1155  6.8124  13.258  8.9855 ?       ?      0.000000       0.000000 
1 1 1 25 31 2  o 48.555  4.7526 28.722   3.2237  46.340  7.3505 50.771  6.0267 -4.431484      9.505295 
1 1 1 25 31 4  o 48.727  4.7608 28.190   3.2259  43.528  6.4990 53.926  6.9588 -10.39801      9.521621 
1 1 1 26 1  1  o 171.599 1.7512 294.981  4.2431  177.889 2.4016 165.309 2.5494 12.58061       3.502481 
1 1 1 26 1  3  o 180.631 1.7060 326.246  4.3540  184.477 2.4410 176.785 2.3839 7.692322       3.412000 
1 1 1 26 1  5  o 198.592 1.8031 394.955  5.0316  199.331 2.3750 197.853 2.7137 1.477570       3.606186 
1 1 1 26 1  7  o 158.845 1.8282 252.571  3.9962  158.849 2.2170 158.842 2.9077 0.7110596E-02  3.656444 
1 1 1 26 1  9  o 170.216 1.7273 290.727  4.0006  171.531 2.0194 168.901 2.8029 2.630020       3.454568 
1 1 1 26 1  11 o 245.019 2.8018 601.571  9.1448  244.626 3.1152 245.412 4.6579 -0.7863312     5.603612 
1 1 1 26 1  13 o 232.332 2.4289 540.098  7.5646  231.282 2.7458 233.382 4.0074 -2.099487      4.857879 
1 1 1 26 1  15 o 55.250  3.0759 30.370   2.3371  53.306  3.7906 57.194  4.8452 -3.887554      6.151813 
1 1 1 26 1  17 o 94.256  2.2500 88.319   2.9621  89.725  2.9598 98.787  3.3896 -9.062416      4.499969 
1 1 1 26 1  19 o 134.982 1.9907 182.354  3.5606  134.593 2.1876 135.372 3.3265 -0.7783356     3.981341 
1 1 1 26 1  21 o 184.561 2.0663 342.226  5.3387  186.434 2.6631 182.688 3.1602 3.745483       4.132661 
1 1 1 26 1  23 o 153.662 2.0659 240.693  4.2393  160.126 2.2714 147.198 3.4514 12.92834       4.131795 
1 1 1 26 1  25 o 82.256  2.7620 67.887   2.9809  81.334  2.9812 83.177  4.6504 -1.842682      5.523933 
1 1 1 26 1  27 o 28.805  6.0658 8.8142   2.6444  28.314  8.2604 29.296  8.8849 -0.9824276     12.13162 
1 1 1 26 1  29 o 23.735  5.9881 5.1041   2.4090  20.594  7.4283 26.877  9.3941 -6.282888      11.97614 
1 1 1 26 1  31 o 56.924  3.8405 33.347   3.0560  55.450  4.9975 58.398  5.8328 -2.947536      7.680915 
1 1 1 26 1  33 o 41.525  5.4956 19.262   3.0652  42.768  6.3444 40.281  8.9753 2.487129       10.99123 
1 1 1 26 1  35 o 20.722  6.7633 -0.8022  3.7921  16.938  7.6600 24.505  11.149 -7.567215      13.52654 
1 1 1 26 1  37 f 19.090  5.8945 1.5196   2.7340  18.125  7.2216 20.054  9.3182 -1.929176      11.78897 
1 1 1 26 1  39 o 20.673  6.5431 2.9068   3.0177  14.025  6.4787 27.320  11.370 -13.29463      13.08620 
1 1 1 26 2  0  f 201.685 2.8065 407.244  11.316  201.685 2.8065 ?       ?      0.000000       0.000000 
1 1 1 26 2  2  o 156.461 1.7737 244.452  3.9122  152.466 2.4234 160.456 2.5906 -7.989838      3.547391 
1 1 1 26 2  4  o 207.850 1.7677 432.415  5.1959  207.905 2.4992 207.794 2.5005 0.1111145      3.535309 
1 1 1 26 2  6  o 162.082 1.8184 263.047  4.1367  162.432 2.3814 161.732 2.7486 0.6992798      3.636712 
1 1 1 26 2  8  o 250.516 2.1112 633.928  7.1679  257.229 2.4239 243.803 3.4573 13.42572       4.222344 
1 1 1 26 2  10 o 248.227 2.1103 619.210  7.2297  251.576 2.5702 244.878 3.3478 6.698547       4.220615 
1 1 1 26 2  12 o 95.375  2.3778 90.771   3.1727  93.035  3.1027 97.715  3.6040 -4.680649      4.755610 
1 1 1 26 2  14 o 71.502  3.0725 52.355   2.8250  74.436  3.1024 68.568  5.3044 5.868011       6.145019 
1 1 1 26 2  16 o 167.954 2.3714 283.133  4.9310  168.281 2.2643 167.626 4.1674 0.6557465      4.742785 
1 1 1 26 2  18 o 135.492 1.9762 183.519  3.4919  134.813 2.0984 136.170 3.3494 -1.357376      3.952402 
1 1 1 26 2  20 o 64.761  3.1693 42.232   2.7735  64.962  3.6437 64.560  5.1866 0.4023132      6.338560 
1 1 1 26 2  22 o 94.849  2.5445 92.936   3.0588  100.040 2.4815 89.659  4.4430 10.38034       5.088988 
1 1 1 26 2  24 o 71.678  3.3346 51.571   3.3218  69.050  4.2641 74.306  5.1279 -5.256081      6.669126 
1 1 1 26 2  26 o 32.262  6.5321 11.195   3.0699  31.655  8.2911 32.870  10.096 -1.215372      13.06413 
1 1 1 26 2  28 o 16.533  5.2471 -1.9248  2.5074  15.340  6.9226 17.726  7.8871 -2.386362      10.49418 
1 1 1 26 2  30 o 18.608  5.9495 -2.5866  3.3060  17.892  7.9639 19.323  8.8409 -1.430889      11.89894 
1 1 1 26 2  32 o 14.131  4.8346 -8.2410  2.8889  13.489  6.4808 14.774  7.1760 -1.284772      9.669259 
1 1 1 26 2  34 o 41.766  5.0924 19.351   2.9342  38.384  7.4866 45.148  6.9051 -6.764153      10.18480 
1 1 1 26 2  36 o 19.913  6.1392 2.0211   2.9626  18.533  7.5344 21.293  9.6950 -2.760220      12.27847 
1 1 1 26 2  38 o 25.874  6.7445 8.4803   3.0088  26.504  7.3642 25.244  11.301 1.259674       13.48909 
1 1 1 26 3  1  o 107.316 1.8739 115.696  2.8289  100.914 2.8033 113.718 2.4876 -12.80359      3.747878 
1 1 1 26 3  3  o 104.584 1.7564 108.716  2.5659  100.647 2.2944 108.520 2.6600 -7.872597      3.512833 
1 1 1 26 3  5  o 165.157 1.6562 272.876  3.8646  166.569 2.3915 163.746 2.2917 2.823242       3.312304 
1 1 1 26 3  7  f 182.392 1.7025 333.192  4.3869  185.196 2.3380 179.589 2.4753 5.606979       3.404929 
1 1 1 26 3  9  o 227.607 1.8922 518.647  6.0895  228.807 2.6998 226.406 2.6519 2.401398       3.784410 
1 1 1 26 3  11 o 249.818 2.1658 627.912  7.3658  253.382 2.5291 246.253 3.5166 7.128937       4.331640 
1 1 1 26 3  13 o 202.827 2.2476 414.966  5.8001  205.427 2.2483 200.227 3.8925 5.200104       4.495149 
1 1 1 26 3  15 o 54.928  3.6968 29.902   2.6592  53.076  4.0246 56.780  6.2023 -3.703949      7.393658 
1 1 1 26 3  17 o 95.427  2.6698 91.991   3.1379  96.501  2.5127 94.353  4.7114 2.147545       5.339572 
1 1 1 26 3  19 o 167.100 1.8460 282.140  4.2575  173.143 2.2340 161.057 2.9394 12.08621       3.691983 
1 1 1 26 3  21 f 75.538  2.7206 57.478   2.8577  76.192  3.4098 74.885  4.2402 1.307121       5.441135 
1 1 1 26 3  23 o 83.120  2.8704 70.749   3.1492  86.501  3.0701 79.740  4.8509 6.760849       5.740779 
1 1 1 26 3  25 o 126.399 2.1854 159.678  3.7440  124.088 2.5589 128.710 3.5435 -4.622536      4.370852 
1 1 1 26 3  27 o 131.276 2.3062 173.568  4.1724  131.629 2.8070 130.923 3.6600 0.7065277      4.612484 
1 1 1 26 3  29 o 23.968  6.4508 4.6905   2.9280  23.059  8.2621 24.878  9.9091 -1.818396      12.90169 
1 1 1 26 3  31 o 65.679  3.6458 44.608   3.3751  69.622  4.9753 61.736  5.3303 7.885838       7.291533 
1 1 1 26 3  33 o 73.267  3.3201 55.429   3.3941  71.442  4.2829 75.092  5.0742 -3.649353      6.640110 
1 1 1 26 3  35 o 44.308  4.7654 22.120   2.6926  42.385  8.1924 46.230  4.8704 -3.844101      9.530818 
1 1 1 26 3  37 o 31.735  5.4392 12.520   2.4124  33.169  7.0052 30.300  8.3227 2.869162       10.87844 
1 1 1 26 3  39 o 19.499  5.8430 3.8292   2.7994  19.815  8.0901 19.182  8.4327 0.6326294      11.68590 
1 1 1 26 4  0  o 29.053  7.3646 9.9300   3.6949  29.053  7.3646 ?       ?      0.000000       0.000000 
1 1 1 26 4  2  o 137.115 1.7118 188.044  3.3173  140.206 2.4294 134.023 2.4123 6.183167       3.423619 
1 1 1 26 4  4  o 12.871  4.0731 -1.8688  1.5502  15.125  6.4022 10.617  5.0370 4.508411       8.146171 
1 1 1 26 4  6  o 135.153 1.7219 182.831  3.2897  135.301 2.4748 135.006 2.3947 0.2944946      3.443760 
1 1 1 26 4  8  o 76.489  2.0260 59.022   2.1461  73.913  3.2024 79.066  2.4826 -5.152596      4.052035 
1 1 1 26 4  10 o 222.024 1.9030 493.602  5.9752  221.583 2.6836 222.465 2.6989 -0.8812103     3.806039 
1 1 1 26 4  12 o 130.593 1.7356 170.647  3.1976  129.540 2.3621 131.647 2.5435 -2.107132      3.471155 
1 1 1 26 4  14 o 79.484  2.7994 64.270   2.9716  82.368  3.0840 76.600  4.6728 5.767387       5.598793 
1 1 1 26 4  16 o 83.907  2.3588 70.022   2.7759  76.466  3.3220 91.347  3.3496 -14.88105      4.717608 
1 1 1 26 4  18 o 91.331  2.5971 87.547   3.0508  100.708 2.5797 81.955  4.5084 18.75280       5.194279 
1 1 1 26 4  20 o 111.630 2.5582 127.506  3.4946  115.223 2.3549 108.036 4.5422 7.186600       5.116391 
1 1 1 26 4  22 o 162.894 1.9075 266.240  4.2898  163.048 2.3369 162.740 3.0154 0.3077240      3.814946 
1 1 1 26 4  24 o 137.078 2.2748 189.353  4.2745  138.072 2.7179 136.083 3.6485 1.988403       4.549522 
1 1 1 26 4  26 o 36.096  6.4494 13.966   3.2631  31.654  8.8041 40.538  9.4269 -8.883631      12.89878 
1 1 1 26 4  28 o 17.242  5.5179 -5.8032  3.1133  21.473  8.9829 13.011  6.4105 8.462056       11.03571 
1 1 1 26 4  30 o 60.958  3.3792 37.871   2.9015  58.311  4.6534 63.606  4.9013 -5.295246      6.758486 
1 1 1 26 4  32 o 75.910  2.9755 59.029   3.1375  75.896  4.6401 75.924  3.7259 -0.2780151E-01 5.950902 
1 1 1 26 4  34 o 35.073  5.6377 14.519   3.0884  23.470  9.1739 46.676  6.5555 -23.20593      11.27537 
1 1 1 26 4  36 o 19.887  6.0201 0.8573   3.2616  16.103  7.6238 23.670  9.3191 -7.567324      12.04023 
1 1 1 26 4  38 o 23.840  5.7865 6.1526   2.8242  30.540  8.5495 17.139  7.8000 13.40106       11.57302 
1 1 1 26 5  1  o 16.171  4.8102 -0.1430  1.9336  14.230  6.4404 18.112  7.1465 -3.882249      9.620386 
1 1 1 26 5  3  o 135.703 1.5802 183.966  3.0175  137.760 2.3468 133.647 2.1167 4.112656       3.160388 
1 1 1 26 5  5  o 147.996 1.7929 219.225  3.7517  148.930 2.5585 147.062 2.5124 1.867661       3.585825 
1 1 1 26 5  7  o 77.582  2.0513 60.150   2.2456  79.846  2.9645 75.318  2.8361 4.527481       4.102651 
1 1 1 26 5  9  o 19.970  5.4528 2.1661   2.2801  22.582  7.9745 17.359  7.4390 5.223433       10.90555 
1 1 1 26 5  11 o 23.672  5.4205 5.4846   2.0784  24.637  7.6450 22.706  7.6863 1.930555       10.84092 
1 1 1 26 5  13 o 127.103 1.8150 161.839  3.2616  127.809 2.5296 126.397 2.6035 1.411774       3.629997 
1 1 1 26 5  15 o 81.422  2.3069 65.988   2.6356  88.740  3.2529 74.104  3.2721 14.63575       4.613880 
1 1 1 26 5  17 o 43.426  5.1442 20.912   2.8225  52.247  4.8619 34.604  9.0670 17.64319       10.28832 
1 1 1 26 5  19 o 48.100  4.8230 25.963   2.7334  56.918  4.0572 39.282  8.7512 17.63590       9.645912 
1 1 1 26 5  21 o 53.766  3.4806 29.003   2.5554  54.859  5.5776 52.672  4.1651 2.187244       6.961128 
1 1 1 26 5  23 o 72.687  2.7615 53.326   2.8277  77.203  3.7390 68.172  4.0649 9.030838       5.523040 
1 1 1 26 5  25 o 77.639  2.7400 60.966   3.0010  75.654  4.0445 79.624  3.6978 -3.970253      5.480093 
1 1 1 26 5  27 o 66.143  3.0862 44.297   2.8855  67.697  4.3493 64.589  4.3798 3.108040       6.172497 
1 1 1 26 5  29 o 73.937  3.3994 54.730   3.2330  76.906  5.7803 70.969  3.5794 5.937050       6.798804 
1 1 1 26 5  31 o 28.383  6.2709 8.9422   2.8672  25.740  9.5745 31.025  8.1008 -5.285189      12.54171 
1 1 1 26 5  33 o 22.489  6.1409 4.5861   2.7411  23.920  9.1474 21.058  8.1955 2.861694       12.28173 
1 1 1 26 5  35 o 23.955  6.2372 6.5414   2.8183  26.947  9.2376 20.962  8.3833 5.985411       12.47449 
1 1 1 26 5  37 o 17.536  5.5271 -0.0833  2.7497  14.114  6.6351 20.958  8.8413 -6.844638      11.05417 
1 1 1 26 5  39 o 17.418  5.5604 0.9690   2.8889  17.190  7.5812 17.647  8.1363 -0.4570255     11.12083 
1 1 1 26 6  0  o 613.744 5.1462 3775.58  63.159  613.744 5.1462 ?       ?      0.000000       0.000000 
1 1 1 26 6  2  f 428.916 2.8458 1844.49  17.262  426.995 4.0291 430.837 4.0200 -3.842072      5.691610 
1 1 1 26 6  4  o 101.703 1.7071 103.557  2.4533  98.668  2.4575 104.739 2.3702 -6.071541      3.414230 
1 1 1 26 6  6  o 67.108  2.4392 45.204   2.3093  64.398  3.5859 69.818  3.3076 -5.419800      4.878425 
1 1 1 26 6  8  o 24.398  4.7376 5.0305   2.1345  33.297  6.4729 15.500  6.9196 17.79678       9.475238 
1 1 1 26 6  10 o 195.757 1.8773 383.738  5.1933  195.854 2.7119 195.660 2.5966 0.1942139      3.754546 
1 1 1 26 6  12 o 222.632 2.0347 495.353  6.3828  228.528 2.9810 216.735 2.7703 11.79320       4.069487 
1 1 1 26 6  14 o 95.640  1.9684 91.563   2.6507  102.573 2.7016 88.707  2.8636 13.86652       3.936889 
1 1 1 26 6  16 o 130.940 2.1719 170.239  3.9208  135.737 3.4026 126.144 2.7003 9.592964       4.343856 
1 1 1 26 6  18 f 91.611  2.5138 84.216   2.9237  91.559  4.3508 91.662  2.5193 -0.1029434     5.027547 
1 1 1 26 6  20 o 20.863  5.5243 3.1325   2.1593  24.351  8.5694 17.374  6.9740 6.977022       11.04856 
1 1 1 26 6  22 o 32.119  6.3115 10.828   2.8922  34.783  9.6346 29.455  8.1555 5.328379       12.62296 
1 1 1 26 6  24 o 47.244  4.2355 21.633   2.6755  54.060  6.6211 40.427  5.2838 13.63322       8.470992 
1 1 1 26 6  26 o 23.034  5.7923 2.5542   2.8575  16.130  7.4817 29.938  8.8447 -13.80809      11.58468 
1 1 1 26 6  28 o 42.636  4.8403 20.101   2.5942  36.694  8.4989 48.578  4.6349 -11.88400      9.680603 
1 1 1 26 6  30 f 16.130  5.1960 -4.2686  2.7854  14.003  6.7994 18.257  7.8590 -4.253844      10.39209 
1 1 1 26 6  32 f 31.706  6.2282 11.803   3.0791  37.317  7.6890 26.096  9.8001 11.22037       12.45643 
1 1 1 26 6  34 o 25.419  6.5697 7.1684   3.1079  24.215  9.4334 26.624  9.1462 -2.408504      13.13935 
1 1 1 26 6  36 o 28.852  6.9832 11.220   3.4926  26.141  9.8667 31.563  9.8849 -5.422112      13.96647 
1 1 1 26 6  38 f 35.496  5.8159 16.668   2.8820  39.204  7.3402 31.788  9.0233 7.416031       11.63176 
1 1 1 26 7  1  o 322.709 2.2263 1042.65  10.153  318.968 3.0951 326.450 3.2010 -7.482361      4.452582 
1 1 1 26 7  3  o 221.300 1.7524 490.215  5.4840  219.046 2.4775 223.554 2.4792 -4.508133      3.504892 
1 1 1 26 7  5  o 102.345 1.9746 104.852  2.8551  101.588 2.7278 103.102 2.8558 -1.514198      3.949249 
1 1 1 26 7  7  o 125.688 1.5641 158.461  2.7663  128.311 2.0697 123.065 2.3456 5.245842       3.128198 
1 1 1 26 7  9  o 58.979  2.9578 35.027   2.4451  57.547  4.5145 60.410  3.8227 -2.863110      5.915527 
1 1 1 26 7  11 o 173.874 1.8435 302.575  4.5230  175.720 2.6941 172.027 2.5170 3.692764       3.686917 
1 1 1 26 7  13 o 84.799  2.4539 71.534   2.9036  88.512  3.7178 81.087  3.2039 7.424988       4.907897 
1 1 1 26 7  15 o 30.011  5.5583 9.2483   2.2703  31.927  8.8956 28.096  6.6670 3.830862       11.11663 
1 1 1 26 7  17 o 123.243 1.9343 152.897  3.2471  121.403 3.1386 125.084 2.2616 -3.681374      3.868526 
1 1 1 26 7  19 o 64.853  2.6181 42.956   2.2950  61.517  4.3170 68.189  2.9633 -6.671806      5.236160 
1 1 1 26 7  21 o 19.058  5.7370 -0.1715  2.6408  19.195  8.7792 18.921  7.3877 0.2747459      11.47402 
1 1 1 26 7  23 o 20.122  5.9520 0.6504   2.6592  24.948  9.7506 15.297  6.8285 9.651148       11.90391 
1 1 1 26 7  25 o 23.614  5.5594 4.4878   2.3538  30.516  8.5517 16.712  7.1060 13.80394       11.11879 
1 1 1 26 7  27 o 50.896  4.1221 26.210   2.6603  51.957  7.1115 49.835  4.1705 2.121872       8.244157 
1 1 1 26 7  29 o 69.324  3.2979 49.091   3.1456  69.327  5.2464 69.321  3.9976 0.5836487E-02  6.595828 
1 1 1 26 7  31 o 37.612  5.4354 15.660   2.7854  40.282  7.7283 34.942  7.6452 5.340744       10.87081 
1 1 1 26 7  33 o 23.388  5.6692 5.5764   2.4090  20.551  8.7194 26.225  7.2480 -5.674337      11.33849 
1 1 1 26 7  35 o 26.014  6.2734 8.3570   2.9280  22.992  9.6097 29.036  8.0669 -6.043877      12.54679 
1 1 1 26 7  37 o 48.584  4.8205 28.148   3.0908  53.167  5.3207 44.002  8.0398 9.165569       9.641012 
1 1 1 26 8  0  o 354.736 3.2881 1259.95  23.324  354.736 3.2881 ?       ?      0.000000       0.000000 
1 1 1 26 8  2  o 276.322 2.1130 764.486  8.2521  283.824 2.9698 268.821 3.0067 15.00308       4.226055 
1 1 1 26 8  4  o 249.257 1.9410 622.178  6.8412  252.127 2.7249 246.386 2.7649 5.741165       3.881981 
1 1 1 26 8  6  o 258.488 2.1440 670.008  7.8098  261.376 2.8714 255.600 3.1848 5.776367       4.288091 
1 1 1 26 8  8  o 213.939 1.7747 458.337  5.3691  215.490 2.4916 212.387 2.5280 3.103317       3.549453 
1 1 1 26 8  10 o 93.005  2.2168 86.518   2.7292  93.455  3.7065 92.555  2.4327 0.9000244      4.433560 
1 1 1 26 8  12 o 50.809  3.3749 24.571   2.1925  56.111  5.6589 45.507  3.6791 10.60369       6.749752 
1 1 1 26 8  14 o 38.703  4.8514 15.252   2.4754  39.734  7.9817 37.672  5.5169 2.061756       9.702770 
1 1 1 26 8  16 f 85.050  2.3989 72.747   2.6426  84.548  4.0970 85.553  2.4968 -1.004532      4.797866 
1 1 1 26 8  18 o 29.116  5.8095 7.7196   2.7712  38.975  8.5293 19.257  7.8901 19.71855       11.61901 
1 1 1 26 8  20 o 30.053  5.3662 9.7726   2.4286  23.414  9.3929 36.693  5.1922 -13.27923      10.73240 
1 1 1 26 8  22 o 90.481  2.4976 83.298   3.0309  87.733  4.1457 93.228  2.7867 -5.495438      4.995221 
1 1 1 26 8  24 o 62.781  3.2677 40.886   2.4727  60.207  5.8493 65.356  2.9151 -5.149422      6.535441 
1 1 1 26 8  26 o 30.108  5.5228 9.7358   2.3185  27.098  9.6335 33.118  5.4040 -6.019976      11.04568 
1 1 1 26 8  28 o 45.105  5.4689 23.132   2.6128  40.543  10.243 49.666  3.8360 -9.122162      10.93771 
1 1 1 26 8  30 o 29.953  6.4003 9.7941   2.6976  28.440  11.156 31.466  6.2771 -3.025766      12.80065 
1 1 1 26 8  32 f 67.372  3.2867 46.715   2.8757  68.287  5.5799 66.457  3.4749 1.830292       6.573400 
1 1 1 26 8  34 o 12.893  4.4831 -8.5829  2.5351  15.970  7.4826 9.8152  4.9399 6.155022       8.966103 
1 1 1 26 8  36 o 19.620  6.1723 1.9599   3.1087  22.217  9.8350 17.024  7.4608 5.192341       12.34467 
1 1 1 26 8  38 o 18.279  5.7171 2.3185   2.8127  19.998  8.7658 16.560  7.3416 3.438627       11.43414 
1 1 1 26 9  1  o 401.018 2.6885 1612.70  15.233  399.992 3.8970 402.043 3.7048 -2.050507      5.377014 
1 1 1 26 9  3  o 293.401 2.1784 862.234  9.0239  292.593 2.9794 294.209 3.1789 -1.615601      4.356879 
1 1 1 26 9  5  o 148.629 1.8131 220.994  3.8025  150.368 2.6492 146.890 2.4761 3.477905       3.626191 
1 1 1 26 9  7  o 280.871 2.3411 789.649  9.2590  284.835 3.4659 276.907 3.1482 7.928070       4.682293 
1 1 1 26 9  9  f 139.351 1.9679 191.458  3.5575  143.923 3.3294 134.779 2.0989 9.143799       3.935786 
1 1 1 26 9  11 o 118.850 2.2282 137.826  3.2330  123.898 3.9141 113.801 2.1307 10.09714       4.456460 
1 1 1 26 9  13 f 151.827 1.9371 229.162  4.0017  155.534 3.1180 148.119 2.2996 7.415100       3.874288 
1 1 1 26 9  15 o 80.476  2.2351 64.882   2.5284  81.071  3.3470 79.882  2.9632 1.189049       4.470180 
1 1 1 26 9  17 o 23.993  5.2277 3.6409   2.5942  16.119  7.5527 31.866  7.2301 -15.74698      10.45545 
1 1 1 26 9  19 o 34.031  5.5037 11.949   2.5554  39.861  7.9579 28.200  7.6048 11.66057       11.00734 
1 1 1 26 9  21 o 59.691  3.1291 35.691   2.4697  60.813  5.2214 58.569  3.4500 2.243801       6.258181 
1 1 1 26 9  23 o 32.499  6.0208 11.302   2.6125  31.964  10.235 33.033  6.3432 -1.069494      12.04161 
1 1 1 26 9  25 o 78.836  2.8281 64.849   2.8250  73.545  4.9454 84.128  2.7450 -10.58243      5.656177 
1 1 1 26 9  27 o 66.133  3.6996 46.954   2.8580  60.902  6.7304 71.363  3.0742 -10.46041      7.399288 
1 1 1 26 9  29 o 24.074  5.9352 4.9824   2.5794  21.636  9.6576 26.512  6.9019 -4.876627      11.87032 
1 1 1 26 9  31 o 21.071  6.2393 1.6208   2.9080  26.530  10.310 15.612  7.0300 10.91771       12.47868 
1 1 1 26 9  33 o 25.687  6.6607 7.2092   2.8719  28.569  10.734 22.805  7.8890 5.764019       13.32133 
1 1 1 26 9  35 o 32.782  6.6322 13.033   2.7895  36.963  11.210 28.602  7.0909 8.361496       13.26438 
1 1 1 26 9  37 f 24.332  6.1824 7.5745   2.6326  28.876  9.6717 19.788  7.7037 9.088123       12.36480 
1 1 1 26 10 0  o 147.206 2.6688 217.073  7.8516  147.206 2.6688 ?       ?      0.000000       0.000000 
1 1 1 26 10 2  o 143.113 1.6689 205.018  3.3751  142.472 2.3097 143.755 2.4096 -1.282059      3.337839 
1 1 1 26 10 4  o 40.697  3.5588 16.498   2.0296  36.961  4.9983 44.433  5.0673 -7.471493      7.117618 
1 1 1 26 10 6  o 120.227 1.7462 144.177  2.8719  121.832 2.7958 118.623 2.0928 3.208939       3.492325 
1 1 1 26 10 8  o 131.462 1.8215 172.492  3.2489  132.851 2.9550 130.072 2.1305 2.778610       3.642956 
1 1 1 26 10 10 f 53.802  3.0326 28.642   2.2732  60.152  4.3190 47.452  4.2583 12.70003       6.065177 
1 1 1 26 10 12 o 125.757 1.8925 158.585  3.1449  125.498 3.1742 126.016 2.0616 -0.5176773     3.784914 
1 1 1 26 10 14 o 184.505 1.9555 339.159  4.8931  187.644 3.1690 181.366 2.2919 6.277420       3.910927 
1 1 1 26 10 16 o 212.550 2.2074 452.487  6.4518  213.837 3.5098 211.264 2.6781 2.573425       4.414810 
1 1 1 26 10 18 f 189.140 2.0098 359.458  5.1107  188.324 3.3108 189.956 2.2794 -1.631805      4.019627 
1 1 1 26 10 20 o 115.246 2.1383 134.433  3.1245  113.510 3.7129 116.981 2.1221 -3.471756      4.276534 
1 1 1 26 10 22 o 120.670 2.2690 147.755  3.6649  117.905 3.7703 123.436 2.5256 -5.531113      4.538085 
1 1 1 26 10 24 o 42.027  5.4509 18.997   2.7523  39.814  9.7743 44.240  4.8284 -4.426044      10.90184 
1 1 1 26 10 26 o 24.691  5.9898 5.9438   2.4090  26.196  9.3701 23.186  7.4639 3.009449       11.97950 
1 1 1 26 10 28 o 45.694  5.4261 22.406   2.8990  45.002  9.7673 46.386  4.7295 -1.383354      10.85213 
1 1 1 26 10 30 o 22.925  6.1249 4.3269   2.5524  28.145  9.8960 17.705  7.2199 10.43956       12.24979 
1 1 1 26 10 32 o 33.498  5.9114 13.324   2.7225  29.945  10.322 37.052  5.7651 -7.107185      11.82273 
1 1 1 26 10 34 o 20.724  6.3147 2.9200   2.9626  23.952  10.223 17.497  7.4162 6.454384       12.62945 
1 1 1 26 10 36 o 16.121  5.4452 -3.0858  2.8220  19.985  9.1525 12.257  5.9020 7.727881       10.89040 
1 1 1 26 11 1  o 81.463  2.0822 66.466   2.3872  81.048  2.7780 81.877  3.1025 -0.8292236     4.164477 
1 1 1 26 11 3  o 34.780  5.0306 13.562   2.4261  25.132  8.7660 44.427  4.9380 -19.29532      10.06115 
1 1 1 26 11 5  o 44.177  3.7565 20.047   2.2508  41.137  6.1750 47.218  4.2794 -6.080441      7.512914 
1 1 1 26 11 7  o 74.277  2.4915 54.972   2.3513  75.185  4.3001 73.369  2.5180 1.815758       4.983072 
1 1 1 26 11 9  o 53.901  3.0556 28.481   2.2580  58.666  4.7236 49.135  3.8774 9.531063       6.111193 
1 1 1 26 11 11 o 63.066  3.0558 39.381   2.6139  65.840  4.9104 60.291  3.6387 5.548798       6.111660 
1 1 1 26 11 13 o 62.381  3.1922 39.411   2.4583  61.546  5.6282 63.217  3.0137 -1.670864      6.384317 
1 1 1 26 11 15 o 132.620 2.0950 176.922  3.6810  131.626 3.5089 133.613 2.2901 -1.987381      4.190053 
1 1 1 26 11 17 o 89.639  2.4557 80.924   2.7039  89.222  4.3353 90.056  2.3078 -0.8346024     4.911341 
1 1 1 26 11 19 o 114.566 2.2283 128.601  3.2630  120.020 3.8001 109.111 2.3281 10.90918       4.456525 
1 1 1 26 11 21 o 151.970 2.1180 230.274  4.2461  154.839 3.5421 149.102 2.3232 5.737076       4.236023 
1 1 1 26 11 23 o 54.536  4.5927 31.959   2.9691  50.011  8.3116 59.061  3.9100 -9.049786      9.185311 
1 1 1 26 11 25 o 40.562  4.5624 16.499   2.2695  43.297  7.8929 37.828  4.5786 5.469032       9.124762 
1 1 1 26 11 27 o 60.130  3.3935 37.085   2.5679  59.535  5.9153 60.725  3.3275 -1.190601      6.786987 
1 1 1 26 11 29 o 42.062  5.8454 22.474   2.9691  31.096  10.849 53.028  4.3549 -21.93111      11.69080 
1 1 1 26 11 31 o 40.252  4.9693 16.646   2.5638  47.157  7.8352 33.347  6.1145 13.81063       9.938667 
1 1 1 26 11 33 o 20.097  5.7086 1.9576   2.7554  17.825  8.5390 22.370  7.5788 -4.545067      11.41724 
1 1 1 26 11 35 o 20.777  6.2260 3.9237   2.8608  22.430  9.8942 19.124  7.5604 3.306101       12.45209 
1 1 1 26 11 37 o 15.712  5.1688 -1.1085  2.6326  17.215  7.9861 14.208  6.5642 3.006835       10.33764 
1 1 1 26 12 0  f 23.463  9.8494 7.8516   4.6186  23.463  9.8494 ?       ?      0.000000       0.000000 
1 1 1 26 12 2  o 56.195  2.9485 30.055   2.2262  65.274  4.5107 47.117  3.7985 18.15775       5.897032 
1 1 1 26 12 4  o 75.041  2.2079 56.422   2.2386  75.161  3.6101 74.921  2.5429 0.2396469      4.415819 
1 1 1 26 12 6  o 147.951 1.8192 217.268  3.6649  152.195 2.9209 143.707 2.1694 8.487183       3.638350 
1 1 1 26 12 8  o 156.708 2.0398 242.698  4.1747  161.407 3.4337 152.009 2.2028 9.398529       4.079576 
1 1 1 26 12 10 o 242.186 2.1921 586.858  7.3826  244.546 3.3995 239.827 2.7683 4.718750       4.384133 
1 1 1 26 12 12 o 122.559 1.9807 149.980  3.1534  123.483 3.3662 121.635 2.0884 1.848198       3.961424 
1 1 1 26 12 14 f 137.548 1.9882 190.592  3.6437  135.901 3.3135 139.195 2.1982 -3.293747      3.976386 
1 1 1 26 12 16 o 89.062  2.5102 79.198   2.9882  90.585  4.1426 87.539  2.8359 3.046791       5.020303 
1 1 1 26 12 18 o 95.828  2.6916 92.205   3.5064  96.761  4.3555 94.894  3.1636 1.867500       5.383221 
1 1 1 26 12 20 o 104.035 2.3117 108.306  3.2051  105.503 3.8305 102.568 2.5892 2.935005       4.623472 
1 1 1 26 12 22 o 61.951  3.7379 36.821   2.9980  69.312  6.1637 54.590  4.2302 14.72131       7.475706 
1 1 1 26 12 24 o 42.064  5.4210 19.206   2.6172  39.775  9.8977 44.353  4.4256 -4.577793      10.84205 
1 1 1 26 12 26 o 48.106  5.4594 26.916   2.8719  41.030  10.169 55.182  3.9756 -14.15227      10.91880 
1 1 1 26 12 28 o 23.129  5.4603 4.9733   2.3538  18.703  8.0411 27.554  7.3892 -8.850700      10.92054 
1 1 1 26 12 30 o 33.263  5.4736 12.350   2.5351  40.693  7.6585 25.833  7.8223 14.85970       10.94716 
1 1 1 26 12 32 o 16.496  5.3027 -0.9846  2.5123  19.234  8.4802 13.759  6.3689 5.475224       10.60549 
1 1 1 26 12 34 o 18.613  6.0556 0.6050   2.7850  23.150  10.285 14.075  6.3957 9.075110       12.11128 
1 1 1 26 12 36 o 24.083  5.5209 6.8781   2.8219  17.948  8.6646 30.219  6.8444 -12.27060      11.04178 
1 1 1 26 13 1  o 163.544 1.8378 267.756  4.1354  164.030 2.9213 163.057 2.2306 0.9726410      3.675513 
1 1 1 26 13 3  o 119.310 1.8851 141.513  3.0296  121.877 3.0790 116.744 2.1759 5.132874       3.770255 
1 1 1 26 13 5  o 93.434  2.2798 86.867   2.6751  94.687  3.9632 92.181  2.2547 2.506432       4.559613 
1 1 1 26 13 7  o 22.446  5.8857 3.9762   2.3916  23.506  9.1089 21.387  7.4561 2.119678       11.77140 
1 1 1 26 13 9  o 125.996 1.8853 155.262  3.1803  133.776 3.0641 118.217 2.1976 15.55846       3.770684 
1 1 1 26 13 11 o 108.283 2.2021 115.648  3.1085  112.093 3.7083 104.474 2.3762 7.619507       4.404271 
1 1 1 26 13 13 o 63.190  3.2016 40.961   2.6083  60.713  5.5153 65.668  3.2529 -4.954952      6.403103 
1 1 1 26 13 15 o 91.999  2.3005 86.088   2.7469  89.462  3.9365 94.537  2.3817 -5.074684      4.600920 
1 1 1 26 13 17 o 67.842  2.9134 46.950   2.6139  65.900  4.9059 69.784  3.1438 -3.883408      5.826776 
1 1 1 26 13 19 o 114.147 2.1293 131.208  3.1803  113.702 3.6050 114.592 2.2671 -0.8891830     4.258647 
1 1 1 26 13 21 o 38.013  5.3582 14.929   2.6426  39.346  8.9958 36.679  5.8237 2.666580       10.71632 
1 1 1 26 13 23 o 73.350  3.1238 55.937   2.6812  70.399  5.6585 76.302  2.6482 -5.903656      6.247559 
1 1 1 26 13 25 o 69.789  3.6584 50.529   3.0892  68.144  6.5235 71.435  3.3136 -3.290459      7.316823 
1 1 1 26 13 27 o 19.130  6.0669 -0.7279  2.9378  21.951  9.8234 16.309  7.1224 5.641775       12.13374 
1 1 1 26 13 29 o 32.325  5.8143 12.592   2.7582  25.590  10.340 39.060  5.3209 -13.46994      11.62859 
1 1 1 26 13 31 o 19.207  6.0033 0.6296   2.7069  24.540  10.180 13.874  6.3654 10.66595       12.00668 
1 1 1 26 13 33 o 22.335  6.4869 4.8526   2.6775  27.005  10.868 17.664  7.0855 9.341183       12.97383 
1 1 1 26 13 35 o 19.503  6.1822 2.6547   2.8219  23.435  10.315 15.572  6.8176 7.862849       12.36439 
1 1 1 26 14 0  o 247.842 2.8427 615.195  14.087  247.842 2.8427 ?       ?      0.000000       0.000000 
1 1 1 26 14 2  o 129.086 1.9005 167.867  3.4057  125.753 2.9841 132.420 2.3543 -6.666451      3.800993 
1 1 1 26 14 4  o 71.436  2.6343 51.883   2.4520  69.361  4.4947 73.511  2.7487 -4.150681      5.268559 
1 1 1 26 14 6  f 101.629 2.2136 103.496  3.1585  101.138 2.9112 102.119 3.3355 -0.9818497     4.427288 
1 1 1 26 14 8  o 123.288 1.8474 151.708  3.1456  125.197 2.9051 121.379 2.2831 3.817688       3.694886 
1 1 1 26 14 10 o 28.169  5.3101 8.0517   2.4427  21.551  8.9971 34.786  5.6427 -13.23545      10.62017 
1 1 1 26 14 12 o 51.078  3.7359 24.124   2.4503  60.430  6.0187 41.725  4.4276 18.70534       7.471876 
1 1 1 26 14 14 o 86.683  2.2465 74.504   2.5648  89.219  3.7531 84.146  2.4699 5.072914       4.492918 
1 1 1 26 14 16 f 28.924  6.0694 8.7848   2.7497  25.698  9.4301 32.151  7.6436 -6.452900      12.13884 
1 1 1 26 14 18 o 94.668  2.3347 90.409   3.1175  90.704  3.4371 98.632  3.1608 -7.927956      4.669485 
1 1 1 26 14 20 o 64.539  2.8908 43.423   2.4367  59.469  4.9510 69.610  2.9857 -10.14056      5.781650 
1 1 1 26 14 22 o 42.855  5.2102 18.959   2.6680  43.923  9.2305 41.786  4.8357 2.137123       10.42046 
1 1 1 26 14 24 o 58.367  4.1959 35.046   3.0937  58.703  7.2777 58.032  4.1783 0.6704254      8.391845 
1 1 1 26 14 26 o 22.478  5.6264 2.1526   2.8206  17.589  8.4670 27.366  7.4120 -9.777037      11.25286 
1 1 1 26 14 28 f 18.728  5.3934 -0.9729  2.7369  15.115  7.3731 22.340  7.8734 -7.224862      10.78671 
1 1 1 26 14 30 o 21.733  6.4109 2.2357   2.8733  29.003  10.994 14.462  6.5983 14.54025       12.82180 
1 1 1 26 14 32 o 21.787  6.3729 2.7337   2.7670  29.844  11.065 13.730  6.3267 16.11391       12.74582 
1 1 1 26 14 34 o 38.844  6.4784 19.882   3.0321  36.679  11.801 41.009  5.3497 -4.330246      12.95680 
1 1 1 26 15 1  o 303.729 2.6680 925.260  11.175  304.952 4.2217 302.506 3.2635 2.446716       5.336051 
1 1 1 26 15 3  o 56.472  2.7864 32.008   2.2133  56.915  4.1589 56.029  3.7095 0.8859444      5.572854 
1 1 1 26 15 5  o 38.212  5.7810 15.450   3.0241  38.747  8.4301 37.678  7.9128 1.068447       11.56197 
1 1 1 26 15 7  o 119.294 1.9636 143.623  3.2044  116.565 3.1698 122.022 2.3183 -5.456642      3.927111 
1 1 1 26 15 9  o 109.162 1.8721 119.809  2.8085  108.065 2.9917 110.259 2.2515 -2.193718      3.744295 
1 1 1 26 15 11 o 84.818  2.5993 70.076   2.5021  88.242  4.7106 81.394  2.1988 6.847343       5.198527 
1 1 1 26 15 13 o 21.897  6.1465 2.9243   2.6863  23.950  9.5760 19.845  7.7082 4.104742       12.29297 
1 1 1 26 15 15 o 92.760  2.4366 87.263   2.9201  91.219  4.1771 94.301  2.5101 -3.081673      4.873270 
1 1 1 26 15 17 o 155.206 1.9764 244.425  4.1394  150.715 3.2560 159.696 2.2414 -8.980103      3.952865 
1 1 1 26 15 19 o 50.147  3.3685 25.703   2.2779  48.885  5.5506 51.409  3.8182 -2.523842      6.737073 
1 1 1 26 15 21 o 29.845  5.7206 8.7552   2.5302  38.979  8.5286 20.711  7.6265 18.26760       11.44118 
1 1 1 26 15 23 o 87.579  2.6458 77.003   3.0846  89.653  4.3789 85.505  2.9708 4.148460       5.291537 
1 1 1 26 15 25 o 28.555  5.9295 8.9468   2.7689  23.486  9.7418 33.624  6.7624 -10.13784      11.85890 
1 1 1 26 15 27 o 56.453  3.8525 32.782   2.8305  58.727  6.4882 54.178  4.1559 4.549252       7.705048 
1 1 1 26 15 29 o 14.931  4.8594 -6.4876  2.6783  13.547  6.8238 16.315  6.9204 -2.768724      9.718895 
1 1 1 26 15 31 o 26.694  6.7022 8.4667   2.8719  31.888  10.870 21.500  7.8434 10.38796       13.40436 
1 1 1 26 15 33 o 22.140  6.5593 5.0814   2.8992  25.369  10.789 18.911  7.4635 6.458349       13.11859 
1 1 1 26 16 0  f 95.194  3.5893 91.217   6.8124  95.194  3.5893 ?       ?      0.000000       0.000000 
1 1 1 26 16 2  o 125.561 1.9042 158.041  3.3751  131.392 2.6363 119.730 2.7485 11.66158       3.808462 
1 1 1 26 16 4  o 36.309  4.9038 13.733   2.4451  37.872  6.0975 34.746  7.6818 3.126057       9.807631 
1 1 1 26 16 6  o 86.708  2.5158 75.666   2.9317  86.330  4.1462 87.086  2.8506 -0.7556686     5.031574 
1 1 1 26 16 8  o 105.900 2.3441 113.183  3.1402  104.902 4.0726 106.897 2.3223 -1.995216      4.688158 
1 1 1 26 16 10 o 17.766  5.4226 -1.1993  2.4930  21.716  8.7171 13.816  6.4522 7.899353       10.84525 
1 1 1 26 16 12 o 26.852  5.9713 7.3176   2.4339  28.238  9.3262 25.465  7.4599 2.772915       11.94270 
1 1 1 26 16 14 o 23.939  6.3740 4.4308   2.6783  24.924  10.330 22.954  7.4697 1.969715       12.74794 
1 1 1 26 16 16 o 19.539  5.8800 0.5305   2.6751  20.619  9.1381 18.459  7.4021 2.159864       11.75997 
1 1 1 26 16 18 o 28.997  6.6960 8.4628   3.2848  25.879  10.137 32.115  8.7517 -6.235399      13.39193 
1 1 1 26 16 20 o 78.319  2.6494 60.393   2.7369  83.002  4.3820 73.636  2.9793 9.366035       5.298868 
1 1 1 26 16 22 o 87.398  2.9273 75.885   3.1800  90.612  5.0971 84.185  2.8803 6.426941       5.854634 
1 1 1 26 16 24 o 57.178  4.5627 35.814   3.0260  52.734  8.3203 61.621  3.7475 -8.887115      9.125320 
1 1 1 26 16 26 o 18.874  5.8347 0.4002   2.7689  20.345  9.0673 17.403  7.3456 2.942400       11.66934 
1 1 1 26 16 28 o 21.341  6.2694 3.2199   2.7450  25.013  10.207 17.668  7.2830 7.345142       12.53888 
1 1 1 26 16 30 o 20.447  6.2241 2.8621   2.7895  22.979  10.118 17.915  7.2510 5.064192       12.44816 
1 1 1 26 16 32 o 16.529  5.4987 -2.3354  2.9760  17.914  8.5852 15.143  6.8728 2.770872       10.99733 
1 1 1 26 16 34 o 18.990  5.9925 2.3996   2.7963  22.081  9.7728 15.899  6.9379 6.182063       11.98505 
1 1 1 26 17 1  o 24.864  5.1504 4.2280   2.6348  33.540  6.9473 16.189  7.6054 17.35149       10.30081 
1 1 1 26 17 3  o 71.306  2.5525 51.621   2.5284  74.976  3.1570 67.635  4.0118 7.341293       5.105063 
1 1 1 26 17 5  f 50.376  3.1125 25.727   2.1923  55.521  4.0553 45.230  4.7227 10.29110       6.224911 
1 1 1 26 17 7  o 26.337  5.6663 7.1360   2.3378  23.595  8.1006 29.080  7.9251 -5.485054      11.33255 
1 1 1 26 17 9  o 102.866 2.4730 106.176  3.2635  103.347 4.2455 102.384 2.5375 0.9633560      4.946049 
1 1 1 26 17 11 f 181.361 2.0256 329.537  5.0817  183.476 3.1780 179.245 2.5123 4.231613       4.051112 
1 1 1 26 17 13 o 119.979 2.1881 145.105  3.4141  119.357 3.7245 120.601 2.2978 -1.243752      4.376233 
1 1 1 26 17 15 o 19.309  5.7156 0.6772   2.5679  19.353  8.6997 19.265  7.4152 0.8838463E-01  11.43114 
1 1 1 26 17 17 o 80.517  3.0703 64.688   3.3876  84.770  4.8354 76.264  3.7850 8.506187       6.140673 
1 1 1 26 17 19 o 73.521  3.2612 54.170   2.9122  75.099  5.7656 71.944  3.0494 3.155640       6.522333 
1 1 1 26 17 21 o 55.992  3.3124 31.592   2.3975  57.429  5.6295 54.554  3.4923 2.875767       6.624780 
1 1 1 26 17 23 o 23.872  6.4959 4.9035   2.8618  26.230  10.286 21.514  7.9362 4.715775       12.99180 
1 1 1 26 17 25 o 31.828  6.0180 11.809   2.6452  30.191  10.168 33.465  6.4404 -3.273506      12.03608 
1 1 1 26 17 27 o 21.461  6.4697 2.4984   2.9503  26.622  10.804 16.299  7.1202 10.32279       12.93937 
1 1 1 26 17 29 o 16.293  5.4162 -2.7194  2.8618  18.324  8.5801 14.262  6.6124 4.061181       10.83244 
1 1 1 26 17 31 o 29.127  6.3752 11.363   2.7813  29.613  10.166 28.641  7.6955 0.9720268      12.75037 
1 1 1 26 17 33 f 47.712  5.7385 29.136   3.0791  44.382  10.548 51.042  4.5243 -6.659348      11.47708 
1 1 1 26 18 0  f 161.192 2.6161 260.488  8.4289  161.192 2.6161 ?       ?      0.000000       0.000000 
1 1 1 26 18 2  o 108.874 3.1227 122.123  3.8988  112.251 2.5716 105.496 5.6914 6.755264       6.245359 
1 1 1 26 18 4  o 88.415  2.0855 78.755   2.5967  91.559  2.7744 85.272  3.1144 6.286560       4.170935 
1 1 1 26 18 6  o 68.517  2.5326 47.286   2.4533  68.733  3.5278 68.300  3.6347 0.4328690      5.065193 
1 1 1 26 18 8  o 33.648  4.9518 12.077   2.2801  34.956  6.6800 32.340  7.3116 2.615925       9.903586 
1 1 1 26 18 10 o 53.168  3.7778 27.787   2.6298  57.144  6.2639 49.192  4.2250 7.951794       7.555574 
1 1 1 26 18 12 o 102.812 2.3349 106.094  3.0628  103.306 4.0237 102.318 2.3698 0.9874649      4.669711 
1 1 1 26 18 14 o 40.034  5.0628 17.721   2.5123  35.039  9.0125 45.029  4.6157 -9.989887      10.12570 
1 1 1 26 18 16 o 34.947  5.6819 12.506   2.5354  39.463  9.2262 30.431  6.6343 9.031946       11.36381 
1 1 1 26 18 18 o 20.418  6.2273 0.0156   2.9209  25.943  10.441 14.893  6.7893 11.05046       12.45454 
1 1 1 26 18 20 o 33.148  5.5258 12.474   2.5948  27.517  9.4938 38.778  5.6574 -11.26159      11.05156 
1 1 1 26 18 22 o 46.818  5.3686 22.334   3.0273  51.470  9.3153 42.165  5.3398 9.304890       10.73729 
1 1 1 26 18 24 o 40.230  5.6785 19.071   2.8305  35.524  10.192 44.936  5.0105 -9.412533      11.35708 
1 1 1 26 18 26 o 20.421  6.3255 -0.1546  3.0530  27.550  10.950 13.292  6.3359 14.25752       12.65100 
1 1 1 26 18 28 o 35.283  5.9198 16.330   2.8438  28.652  10.620 41.914  5.2341 -13.26228      11.83954 
1 1 1 26 18 30 o 24.690  6.3536 7.7891   2.9237  23.141  9.8388 26.238  8.0418 -3.096905      12.70714 
1 1 1 26 18 32 o 41.821  5.8872 22.007   2.9891  43.523  10.351 40.120  5.6120 3.402508       11.77446 
1 1 1 26 19 1  o 189.757 2.1522 362.951  5.7117  192.619 2.7574 186.894 3.3053 5.725403       4.304456 
1 1 1 26 19 3  o 111.546 2.0149 125.812  3.1250  115.110 2.5077 107.981 3.1544 7.128899       4.029769 
1 1 1 26 19 5  o 57.358  3.3854 33.296   2.7347  61.391  4.7020 53.326  4.8718 8.064957       6.770813 
1 1 1 26 19 7  o 66.937  2.6517 45.103   2.5031  64.902  3.6471 68.971  3.8504 -4.068855      5.303468 
1 1 1 26 19 9  o 88.980  2.2481 79.527   2.8183  90.793  3.3065 87.166  3.0467 3.626823       4.496135 
1 1 1 26 19 11 o 23.614  6.1931 4.4646   2.6942  27.250  9.5625 19.977  7.8726 7.272852       12.38623 
1 1 1 26 19 13 o 58.088  3.1832 33.341   2.5351  63.637  4.8989 52.538  4.0658 11.09897       6.366356 
1 1 1 26 19 15 f 68.010  3.0952 47.050   2.7203  67.594  5.2955 68.426  3.2061 -0.8325272     6.190405 
1 1 1 26 19 17 o 35.068  6.1837 13.625   2.8920  34.576  10.370 35.559  6.7388 -0.9825821     12.36738 
1 1 1 26 19 19 o 52.284  4.8704 28.397   3.5249  59.457  6.9912 45.112  6.7827 14.34484       9.740753 
1 1 1 26 19 21 o 36.548  6.4549 14.392   2.9095  40.400  10.997 32.695  6.7626 7.704514       12.90970 
1 1 1 26 19 23 o 24.271  6.3747 5.8590   2.6408  27.319  10.275 21.222  7.5484 6.097692       12.74938 
1 1 1 26 19 25 o 16.397  5.4578 -3.3753  2.9351  17.985  8.5680 14.809  6.7630 3.175519       10.91557 
1 1 1 26 19 27 o 28.375  6.5344 10.311   2.8757  29.285  10.371 27.464  7.9524 1.821171       13.06873 
1 1 1 26 19 29 o 18.007  5.8132 -0.5013  3.0753  18.733  8.9892 17.280  7.3733 1.453304       11.62635 
1 1 1 26 19 31 o 26.574  7.2473 10.244   3.1827  31.131  12.117 22.016  7.9543 9.115091       14.49455 
1 1 1 26 20 0  o 95.656  3.8155 92.372   7.2743  95.656  3.8155 ?       ?      0.000000       0.000000 
1 1 1 26 20 2  o 58.126  3.1339 34.284   2.5662  59.393  4.1798 56.860  4.6706 2.533192       6.267788 
1 1 1 26 20 4  o 78.538  2.8164 63.185   3.0206  82.668  3.2823 74.408  4.5778 8.260597       5.632879 
1 1 1 26 20 6  f 82.400  2.2796 68.355   2.6557  83.521  3.1797 81.279  3.2674 2.242027       4.559160 
1 1 1 26 20 8  o 94.472  2.0306 89.497   2.7024  96.732  2.9841 92.212  2.7548 4.519592       4.061262 
1 1 1 26 20 10 o 47.997  3.6822 23.681   2.4506  54.459  4.6644 41.534  5.6990 12.92503       7.364453 
1 1 1 26 20 12 o 31.368  5.7294 10.859   2.6268  25.798  10.069 36.938  5.4703 -11.14024      11.45887 
1 1 1 26 20 14 o 19.047  5.9144 -0.5151  2.8422  22.481  9.5131 15.613  7.0302 6.867787       11.82889 
1 1 1 26 20 16 o 59.803  4.5926 36.368   2.8494  60.705  8.5592 58.900  3.3326 1.805618       9.185117 
1 1 1 26 20 18 o 71.844  3.6616 52.408   3.5181  75.188  5.9892 68.500  4.2140 6.687119       7.323122 
1 1 1 26 20 20 o 102.977 2.4130 106.537  3.2753  106.084 4.0272 99.870  2.6591 6.213509       4.825901 
1 1 1 26 20 22 o 42.546  5.5501 20.732   2.9080  40.168  9.8382 44.924  5.1404 -4.756252      11.10017 
1 1 1 26 20 24 o 30.225  6.7131 11.131   3.0470  36.871  10.569 23.579  8.2807 13.29182       13.42629 
1 1 1 26 20 26 o 22.036  5.7156 3.1601   2.9626  17.149  8.2899 26.922  7.8708 -9.772808      11.43117 
1 1 1 26 20 28 o 32.447  5.8716 14.736   3.0981  23.351  10.418 41.542  5.4199 -18.19085      11.74324 
1 1 1 26 20 30 o 28.505  6.3870 12.015   3.1379  24.087  10.322 32.924  7.5257 -8.836344      12.77398 
1 1 1 26 21 1  o 104.322 2.2801 109.480  3.3126  104.691 3.5293 103.952 2.8879 0.7393875      4.560279 
1 1 1 26 21 3  o 164.837 2.1057 273.336  4.9066  168.485 2.9468 161.188 3.0086 7.296677       4.211361 
1 1 1 26 21 5  o 153.915 2.1151 239.971  4.4509  157.496 2.4926 150.334 3.4178 7.161880       4.230232 
1 1 1 26 21 7  o 50.035  3.6342 25.557   2.5688  48.373  5.2513 51.696  5.0254 -3.323109      7.268495 
1 1 1 26 21 9  o 18.202  5.4468 -0.0265  2.5110  20.477  8.1330 15.926  7.2472 4.550772       10.89350 
1 1 1 26 21 11 o 39.994  4.9321 17.089   2.7134  42.764  6.3451 37.223  7.5527 5.540867       9.864260 
1 1 1 26 21 13 o 23.936  5.5989 2.7200   2.9901  16.061  7.6957 31.811  8.1343 -15.75035      11.19779 
1 1 1 26 21 15 o 22.795  6.0963 3.7718   2.8855  20.293  9.0219 25.297  8.2015 -5.004251      12.19266 
1 1 1 26 21 17 o 16.222  5.2601 -3.5760  2.7369  16.070  7.7292 16.373  7.1366 -0.3031063     10.52012 
1 1 1 26 21 19 o 19.253  5.9537 -0.2391  3.0756  19.025  8.8351 19.481  7.9829 -0.4559498     11.90737 
1 1 1 26 21 21 o 19.833  5.7304 -0.1762  2.9980  16.763  8.1306 22.903  8.0773 -6.140842      11.46078 
1 1 1 26 21 23 o 35.618  6.1441 14.759   2.8086  42.778  9.7892 28.457  7.4277 14.32108       12.28817 
1 1 1 26 21 25 o 30.792  5.8533 12.575   2.8608  24.007  10.234 37.577  5.6846 -13.57008      11.70657 
1 1 1 26 21 27 o 25.627  6.4238 8.3207   2.9876  23.239  10.549 28.015  7.3333 -4.776455      12.84764 
1 1 1 26 21 29 o 57.664  5.5753 40.940   3.0747  53.656  10.599 61.673  3.4636 -8.017181      11.15059 
1 1 1 26 22 0  o 140.128 2.8041 197.214  7.8516  140.128 2.8041 ?       ?      0.000000       0.000000 
1 1 1 26 22 2  o 121.865 2.2757 149.770  3.8488  121.705 3.5577 122.024 2.8387 -0.3194504     4.551455 
1 1 1 26 22 4  o 23.211  5.9581 4.4473   2.6189  27.167  8.8754 19.255  7.9513 7.911497       11.91620 
1 1 1 26 22 6  o 84.083  3.0439 72.905   3.1709  86.419  2.8726 81.746  5.3674 4.672394       6.087765 
1 1 1 26 22 8  o 28.940  5.6493 9.1545   2.5389  34.522  7.4048 23.359  8.5339 11.16338       11.29859 
1 1 1 26 22 10 o 112.268 2.2563 127.387  3.5757  112.717 3.0731 111.818 3.3043 0.8983002      4.512523 
1 1 1 26 22 12 o 134.416 1.8704 182.507  3.5503  137.776 2.5561 131.056 2.7312 6.720154       3.740720 
1 1 1 26 22 14 o 38.232  6.1968 16.590   3.2816  41.687  8.6030 34.778  8.9213 6.909126       12.39359 
1 1 1 26 22 16 o 67.496  3.2743 46.210   2.9882  71.325  5.2613 63.668  3.8991 7.657066       6.548615 
1 1 1 26 22 18 o 20.803  6.3934 1.7271   2.9326  24.466  10.538 17.141  7.2424 7.324177       12.78670 
1 1 1 26 22 20 o 24.529  6.9202 6.0866   3.5629  25.307  10.343 23.752  9.1964 1.555035       13.84046 
1 1 1 26 22 22 o 20.823  6.2392 3.2777   3.0416  22.043  9.5767 19.604  7.9997 2.439457       12.47835 
1 1 1 26 22 24 o 16.586  5.3942 -1.3004  2.7735  19.180  8.5561 13.991  6.5713 5.188928       10.78841 
1 1 1 26 22 26 o 15.591  5.3455 -4.7804  3.2150  17.455  8.4498 13.728  6.5496 3.727267       10.69097 
1 1 1 26 23 1  o 52.074  3.6706 28.173   2.6557  57.728  4.6003 46.420  5.7210 11.30829       7.341167 
1 1 1 26 23 3  o 29.189  6.2954 9.2652   2.7735  29.577  9.7562 28.801  7.9589 0.7761517      12.59074 
1 1 1 26 23 5  o 45.634  4.1213 22.134   2.4771  36.481  6.7420 54.788  4.7418 -18.30694      8.242559 
1 1 1 26 23 7  o 40.299  6.1196 18.882   3.4168  48.473  6.3124 32.125  10.486 16.34742       12.23927 
1 1 1 26 23 9  o 27.357  5.4145 8.1214   2.4961  20.683  8.6545 34.032  6.5091 -13.34909      10.82908 
1 1 1 26 23 11 o 97.711  2.2953 97.372   3.1398  102.027 2.9424 93.395  3.5235 8.632744       4.590505 
1 1 1 26 23 13 o 111.869 2.1175 127.011  3.3485  113.882 2.9403 109.856 3.0480 4.025352       4.235087 
1 1 1 26 23 15 o 61.990  4.4673 40.528   3.7411  64.801  7.2164 59.178  5.2681 5.623081       8.934692 
1 1 1 26 23 17 f 33.381  7.2362 13.342   3.4111  35.989  11.880 30.774  8.2652 5.214104       14.47230 
1 1 1 26 23 19 o 26.258  6.7011 8.5546   3.0470  26.939  10.521 25.577  8.3018 1.361830       13.40226 
1 1 1 26 23 21 f 35.197  7.1238 16.785   3.5733  34.463  11.741 35.930  8.0711 -1.466991      14.24761 
1 1 1 26 23 23 o 38.732  5.6463 19.289   2.8720  33.727  9.8382 43.737  5.5439 -10.01043      11.29270 
1 1 1 26 23 25 o 30.431  6.7861 14.676   3.3548  27.217  11.067 33.644  7.8567 -6.426105      13.57222 
1 1 1 26 24 0  o 56.984  4.9337 33.716   5.5423  56.984  4.9337 ?       ?      0.000000       0.000000 
1 1 1 26 24 2  o 32.376  5.4266 11.513   2.6818  41.340  6.7033 23.412  8.5358 17.92870       10.85328 
1 1 1 26 24 4  o 24.031  5.7858 5.1426   2.6265  18.251  7.8577 29.811  8.4946 -11.56058      11.57161 
1 1 1 26 24 6  o 28.787  6.3359 9.2862   2.8575  29.948  8.9537 27.627  8.9670 2.321133       12.67186 
1 1 1 26 24 8  o 30.710  6.5522 10.755   3.0107  29.537  8.3971 31.883  10.061 -2.346029      13.10444 
1 1 1 26 24 10 o 63.958  3.0971 42.120   2.7926  60.183  4.4127 67.732  4.3470 -7.549538      6.194241 
1 1 1 26 24 12 o 67.813  3.1389 47.749   2.9976  69.100  4.1774 66.525  4.6862 2.574585       6.277887 
1 1 1 26 24 14 o 63.997  3.3981 43.367   3.0010  72.918  4.1962 55.076  5.3460 17.84168       6.796150 
1 1 1 26 24 16 o 38.895  5.4207 18.537   2.8341  46.870  5.5429 30.919  9.3173 15.95081       10.84137 
1 1 1 26 24 18 o 47.385  6.0375 27.983   3.4342  42.871  10.884 51.898  5.2283 -9.027214      12.07491 
1 1 1 26 24 20 o 47.457  5.8794 27.477   3.2706  46.154  10.600 48.761  5.0911 -2.607338      11.75890 
1 1 1 26 24 22 o 22.005  6.4962 5.0903   3.1402  23.885  10.173 20.126  8.0818 3.759056       12.99246 
1 1 1 26 24 24 o 19.184  5.8424 2.5392   3.0699  17.268  8.1203 21.101  8.4021 -3.833094      11.68484 
1 1 1 26 25 1  o 75.138  2.8552 58.310   3.0021  68.837  4.3611 81.438  3.6863 -12.60100      5.710383 
1 1 1 26 25 3  o 34.366  5.3810 13.393   2.5662  29.584  8.1399 39.147  7.0402 -9.562273      10.76206 
1 1 1 26 25 5  o 50.793  4.5406 27.970   3.1238  47.912  7.4708 53.673  5.1630 -5.761211      9.081221 
1 1 1 26 25 7  o 29.819  6.2061 10.438   2.7997  28.326  8.8354 31.312  8.7178 -2.986336      12.41227 
1 1 1 26 25 9  o 18.684  5.7564 -0.7285  2.9695  19.709  7.9011 17.660  8.3737 2.048515       11.51288 
1 1 1 26 25 11 o 29.813  6.2082 10.641   2.7926  30.391  8.4419 29.236  9.1049 1.155220       12.41634 
1 1 1 26 25 13 o 15.491  5.1246 -3.7396  2.8183  15.594  7.2112 15.387  7.2833 0.2074089      10.24927 
1 1 1 26 25 15 o 49.917  3.5239 26.817   2.4704  50.053  5.3057 49.780  4.6390 0.2730522      7.047781 
1 1 1 26 25 17 o 65.541  3.1311 45.835   2.8820  67.821  4.0860 63.262  4.7455 4.559074       6.262209 
1 1 1 26 25 19 o 25.111  6.8848 8.1105   3.2636  25.410  11.060 24.813  8.2027 0.5977383      13.76958 
1 1 1 26 25 21 o 20.101  6.5721 1.3378   4.2368  22.748  10.272 17.453  8.2008 5.295223       13.14414 
1 1 1 26 26 0  o 58.247  5.6482 35.909   6.4660  58.247  5.6482 ?       ?      0.000000       0.000000 
1 1 1 26 26 2  o 37.067  5.7680 15.932   2.9262  35.468  7.8585 38.666  8.4452 -3.197292      11.53592 
1 1 1 26 26 4  o 29.511  6.4976 10.450   3.0021  28.836  9.2253 30.187  9.1525 -1.351019      12.99515 
1 1 1 26 26 6  o 47.516  4.4205 24.383   2.9342  41.908  6.6125 53.123  5.8685 -11.21568      8.841070 
1 1 1 26 26 8  o 23.449  6.0007 5.8633   2.6265  20.657  8.2790 26.241  8.6885 -5.584206      12.00134 
1 1 1 26 26 10 o 39.533  6.5861 19.382   3.4309  36.107  7.8922 42.959  10.546 -6.851181      13.17221 
1 1 1 26 26 12 o 39.367  5.1951 18.429   2.7973  32.693  8.2855 46.041  6.2697 -13.34769      10.39029 
1 1 1 26 26 14 o 29.152  6.2684 11.078   2.8551  31.492  8.5717 26.812  9.1485 4.679653       12.53671 
1 1 1 26 26 16 o 23.904  6.2925 7.3043   2.8855  25.565  8.9474 22.244  8.8502 3.321213       12.58496 
1 1 1 26 26 18 o 27.494  7.4740 10.993   3.8734  31.149  11.726 23.839  9.2707 7.309563       14.94794 
1 1 1 26 26 20 o 42.981  6.4505 24.944   3.6028  49.680  9.9967 36.282  8.1550 13.39727       12.90106 
1 1 1 26 27 1  o 54.145  4.1505 32.496   3.1165  59.624  5.1319 48.665  6.5247 10.95876       8.301099 
1 1 1 26 27 3  o 37.423  6.0681 17.504   3.1334  38.144  7.9774 36.702  9.1458 1.441238       12.13614 
1 1 1 26 27 5  o 60.543  3.2609 39.658   2.6827  56.140  5.3475 64.947  3.7334 -8.806980      6.521837 
1 1 1 26 27 7  o 43.238  5.4498 22.841   3.1398  35.879  9.1432 50.597  5.9333 -14.71772      10.89964 
1 1 1 26 27 9  o 15.062  5.0455 -4.5609  2.8866  15.033  7.1282 15.091  7.1426 -0.5767155E-01 10.09096 
1 1 1 26 27 11 o 40.893  5.8114 20.593   3.2997  30.639  9.0144 51.147  7.3368 -20.50820      11.62278 
1 1 1 26 27 13 o 25.509  6.4193 8.7459   2.9160  25.032  9.4520 25.987  8.6885 -0.9551182     12.83863 
1 1 1 26 27 15 o 18.305  5.5398 -0.2921  2.9342  22.451  8.6751 14.159  6.8922 8.291689       11.07967 
1 1 1 26 27 17 o 17.150  5.4821 -2.7551  3.1079  12.074  6.0206 22.226  9.1634 -10.15147      10.96428 
1 1 1 26 28 0  o 19.589  10.317 6.6969   5.3114  19.589  10.317 ?       ?      0.000000       0.000000 
1 1 1 26 28 2  o 59.491  3.8902 38.783   3.2596  55.566  5.7145 63.417  5.2801 -7.851482      7.780382 
1 1 1 26 28 4  o 96.057  2.4978 96.318   3.3771  100.868 3.3197 91.245  3.7330 9.622795       4.995548 
1 1 1 26 28 6  o 72.138  3.0108 55.440   3.0500  70.959  4.5562 73.318  3.9371 -2.358841      6.021617 
1 1 1 26 28 8  o 28.712  6.3044 11.200   2.8866  31.738  8.7965 25.687  9.0335 6.050907       12.60887 
1 1 1 26 28 10 o 46.229  4.5510 24.709   2.9707  46.440  6.2159 46.019  6.6490 0.4201736      9.101950 
1 1 1 26 28 12 o 60.010  3.9285 39.479   3.1627  56.708  4.5813 63.311  6.3831 -6.603851      7.857034 
1 1 1 26 28 14 o 69.940  3.1740 53.902   3.0908  70.878  3.9912 69.003  4.9363 1.874428       6.347996 
1 1 1 26 29 1  o 62.199  3.8730 43.068   3.4062  61.549  5.5341 62.848  5.4197 -1.299465      7.745966 
1 1 1 26 29 3  o 86.789  2.9862 80.273   3.6603  88.722  4.2947 84.856  4.1502 3.865410       5.972299 
1 1 1 26 29 5  o 67.997  3.4556 50.631   3.2907  73.473  4.4788 62.521  5.2634 10.95263       6.911125 
1 1 1 26 29 7  o 26.274  6.1451 9.2834   2.8820  31.182  8.6092 21.366  8.7709 9.816824       12.29011 
1 1 1 26 29 9  o 29.981  6.9825 14.322   3.4348  29.233  9.9230 30.729  9.8262 -1.496239      13.96496 
1 1 1 26 29 11 o 19.131  5.6839 3.3535   2.6507  21.538  8.5808 16.723  7.4564 4.815054       11.36785 
1 1 1 26 30 0  o 15.348  9.8689 3.3485   6.6969  15.348  9.8689 ?       ?      0.000000       0.000000 
1 1 1 26 30 2  o 18.408  5.8128 2.0417   3.0863  18.796  8.2690 18.020  8.1717 0.7758369      11.62554 
1 1 1 26 30 4  o 29.349  6.8210 13.507   3.4052  33.249  9.5593 25.450  9.7326 7.799452       13.64196 
1 1 1 26 30 6  o 31.741  6.3912 14.577   3.0884  35.717  8.6470 27.766  9.4138 7.950994       12.78237 
1 1 1 27 1  0  o 213.770 2.6476 457.471  11.316  213.770 2.6476 ?       ?      0.000000       0.000000 
1 1 1 27 1  2  o 221.304 1.8817 490.397  5.8881  220.858 2.6924 221.751 2.6295 -0.8924713     3.763439 
1 1 1 27 1  4  o 227.854 2.0758 519.847  6.6230  227.491 2.6901 228.217 3.1621 -0.7266998     4.151566 
1 1 1 27 1  6  o 77.190  2.7446 61.435   2.7525  82.127  2.8119 72.253  4.7142 9.873177       5.489145 
1 1 1 27 1  8  o 168.295 1.7841 282.464  4.1188  166.010 2.1561 170.579 2.8430 -4.568832      3.568106 
1 1 1 27 1  10 o 179.463 2.2691 319.681  5.0852  176.495 2.2243 182.431 3.9558 -5.935364      4.538242 
1 1 1 27 1  12 o 109.677 2.2314 120.441  3.2878  109.334 2.5346 110.021 3.6732 -0.6877136     4.462757 
1 1 1 27 1  14 o 175.382 2.1155 309.083  5.1183  177.016 2.5765 173.747 3.3560 3.268936       4.230983 
1 1 1 27 1  16 o 47.470  6.7751 21.463   3.3323  43.220  5.2096 51.721  12.509 -8.501743      13.55029 
1 1 1 27 1  18 o 91.487  2.5556 85.360   2.9237  94.137  2.4531 88.838  4.4841 5.299553       5.111216 
1 1 1 27 1  20 o 120.865 2.0816 147.374  3.4876  123.750 2.5659 117.980 3.2786 5.769714       4.163264 
1 1 1 27 1  22 o 49.084  3.9253 23.574   2.6083  43.501  4.9104 54.666  6.1253 -11.16510      7.850587 
1 1 1 27 1  24 o 65.599  3.2562 44.402   2.9160  70.217  3.7821 60.982  5.3016 9.234364       6.512384 
1 1 1 27 1  26 o 71.799  3.0990 53.192   3.0206  76.642  3.5404 66.956  5.0873 9.686218       6.197956 
1 1 1 27 1  28 o 26.597  6.5276 6.9989   2.8677  23.623  8.1924 29.572  10.165 -5.948324      13.05521 
1 1 1 27 1  30 o 27.044  6.7298 7.4230   3.2878  29.145  8.7848 24.943  10.197 4.201664       13.45953 
1 1 1 27 1  32 o 47.821  4.5164 25.543   2.7640  54.001  4.5971 41.642  7.7755 12.35895       9.032810 
1 1 1 27 1  34 o 19.285  5.9024 1.5350   2.8527  17.743  7.6138 20.827  9.0213 -3.083828      11.80480 
1 1 1 27 1  36 o 22.164  6.6831 3.6996   3.6798  22.575  8.6195 21.753  10.216 0.8218632      13.36612 
1 1 1 27 1  38 o 26.581  6.8882 10.623   3.3024  28.427  7.4314 24.736  11.600 3.690420       13.77631 
1 1 1 27 2  1  f 136.639 1.6464 187.160  3.1742  139.959 2.2275 133.320 2.4250 6.638306       3.292757 
1 1 1 27 2  3  o 139.673 1.5788 195.215  3.1165  143.700 2.2097 135.645 2.2558 8.055435       3.157688 
1 1 1 27 2  5  o 155.176 1.7358 240.675  3.8025  158.926 2.5065 151.426 2.4019 7.499557       3.471590 
1 1 1 27 2  7  o 105.486 2.2169 111.414  3.2543  105.205 2.7987 105.766 3.4388 -0.5610123     4.433754 
1 1 1 27 2  9  o 103.295 2.1552 107.286  2.9030  104.122 2.2733 102.467 3.6622 1.654884       4.310455 
1 1 1 27 2  11 o 89.621  2.5935 78.784   3.0756  84.926  2.9231 94.316  4.2848 -9.389977      5.186921 
1 1 1 27 2  13 o 111.682 1.9364 125.155  2.9845  112.305 2.3647 111.060 3.0670 1.245079       3.872770 
1 1 1 27 2  15 o 100.506 2.6933 101.708  3.5355  101.198 2.8525 99.814  4.5694 1.383751       5.386603 
1 1 1 27 2  17 o 67.237  2.8794 45.749   2.5302  68.377  3.0396 66.098  4.8913 2.278725       5.758769 
1 1 1 27 2  19 o 24.794  6.2831 5.3417   2.6755  24.062  7.7902 25.526  9.8602 -1.463890      12.56624 
1 1 1 27 2  21 o 44.562  4.3535 19.037   2.5980  36.154  5.7487 52.970  6.5394 -16.81672      8.706967 
1 1 1 27 2  23 o 29.091  6.2103 8.8715   2.7122  27.599  8.0706 30.584  9.4412 -2.985531      12.42061 
1 1 1 27 2  25 f 60.193  3.7446 37.872   2.8145  63.500  3.5458 56.887  6.5966 6.612846       7.489165 
1 1 1 27 2  27 f 17.697  5.7612 -4.2371  3.1299  14.209  6.7782 21.184  9.3177 -6.974595      11.52232 
1 1 1 27 2  29 o 16.829  5.3904 -4.0775  2.9317  18.161  7.7455 15.496  7.4989 2.664349       10.78081 
1 1 1 27 2  31 o 25.926  6.5070 6.7662   3.0903  28.063  8.6285 23.790  9.7423 4.272821       13.01396 
1 1 1 27 2  33 o 28.388  6.0764 9.3988   2.8577  33.341  7.9026 23.435  9.2327 9.905464       12.15290 
1 1 1 27 2  35 o 36.614  5.3375 17.533   2.9505  50.320  5.3923 22.907  9.2129 27.41310       10.67496 
1 1 1 27 2  37 o 50.149  6.7345 34.753   3.2052  58.790  3.7316 41.507  12.942 17.28311       13.46901 
1 1 1 27 3  0  o 202.965 2.3616 412.324  9.5836  202.965 2.3616 ?       ?      0.000000       0.000000 
1 1 1 27 3  2  o 118.045 1.5753 139.550  2.6240  117.161 2.3160 118.929 2.1359 -1.767731      3.150528 
1 1 1 27 3  4  f 117.570 1.7223 138.480  2.8505  118.386 2.2920 116.753 2.5713 1.633438       3.444548 
1 1 1 27 3  6  o 184.662 1.8130 341.367  4.7312  183.980 2.5104 185.345 2.6165 -1.364471      3.626009 
1 1 1 27 3  8  o 31.256  4.6553 10.214   1.9813  31.226  6.1349 31.285  7.0037 -0.5821800E-01 9.310678 
1 1 1 27 3  10 o 89.290  2.4997 79.288   2.9882  87.341  2.8423 91.240  4.1129 -3.898674      4.999457 
1 1 1 27 3  12 o 22.560  5.5064 3.6806   2.3664  25.931  6.9723 19.190  8.5245 6.740776       11.01275 
1 1 1 27 3  14 o 35.877  5.7144 13.450   2.6863  35.369  6.4410 36.385  9.4408 -1.015949      11.42875 
1 1 1 27 3  16 o 153.479 1.9209 237.070  4.0824  156.445 2.3618 150.512 3.0302 5.932983       3.841898 
1 1 1 27 3  18 o 211.430 2.2483 449.622  6.6790  215.441 2.9477 207.419 3.3957 8.022232       4.496630 
1 1 1 27 3  20 o 118.560 2.8589 143.449  4.0405  121.211 2.5244 115.908 5.1303 5.302704       5.717710 
1 1 1 27 3  22 o 84.313  2.8071 70.698   3.2678  79.703  3.5493 88.924  4.3499 -9.221275      5.614154 
1 1 1 27 3  24 o 39.218  5.7261 16.186   3.0107  34.650  7.6999 43.786  8.4773 -9.136120      11.45223 
1 1 1 27 3  26 o 18.129  5.7295 -1.8844  2.9258  16.343  7.4023 19.915  8.7473 -3.572731      11.45903 
1 1 1 27 3  28 o 56.163  4.0563 31.998   3.1495  51.444  5.2745 60.881  6.1638 -9.436588      8.112504 
1 1 1 27 3  30 o 55.181  4.2863 31.713   3.3126  52.587  5.7088 57.776  6.3952 -5.188747      8.572576 
1 1 1 27 3  32 o 67.211  3.2851 47.563   3.0424  71.870  3.9361 62.553  5.2607 9.317135       6.570275 
1 1 1 27 3  34 o 42.765  5.4787 21.189   2.9979  42.227  5.7422 43.303  9.3323 -1.076126      10.95735 
1 1 1 27 3  36 o 34.667  7.6687 16.848   3.7458  29.794  8.8548 39.541  12.523 -9.746975      15.33739 
1 1 1 27 3  38 o 20.161  6.3879 3.3413   3.4824  19.446  7.9782 20.876  9.9785 -1.429714      12.77586 
1 1 1 27 4  1  o 79.840  2.1226 63.827   2.3928  79.411  2.9080 80.269  3.0927 -0.8581238     4.245182 
1 1 1 27 4  3  o 142.639 1.6603 203.620  3.3475  139.080 2.3661 146.199 2.3298 -7.118454      3.320615 
1 1 1 27 4  5  o 61.731  2.7790 38.227   2.4234  61.446  4.0401 62.016  3.8168 -0.5696793     5.557925 
1 1 1 27 4  7  o 177.554 1.8050 315.692  4.5318  177.032 2.5763 178.076 2.5288 -1.043533      3.609969 
1 1 1 27 4  9  o 177.153 1.7747 314.352  4.4454  175.116 2.5385 179.189 2.4808 -4.073639      3.549466 
1 1 1 27 4  11 o 37.140  3.8029 13.832   1.9813  33.507  5.5136 40.773  5.2390 -7.265846      7.605739 
1 1 1 27 4  13 o 140.761 1.8296 198.725  3.6362  143.595 2.4927 137.927 2.6789 5.668610       3.659216 
1 1 1 27 4  15 o 38.270  5.3113 14.543   2.6140  32.701  6.5870 43.840  8.3339 -11.13883      10.62269 
1 1 1 27 4  17 o 51.971  3.8920 26.854   2.6863  50.136  4.3758 53.807  6.4377 -3.671257      7.784060 
1 1 1 27 4  19 o 25.228  6.3422 5.4059   2.8855  26.721  8.1320 23.735  9.7348 2.986904       12.68444 
1 1 1 27 4  21 f 126.372 2.4320 160.411  4.1986  125.825 2.8906 126.920 3.9119 -1.094284      4.864028 
1 1 1 27 4  23 o 113.577 2.2523 129.495  3.4863  112.753 2.6625 114.402 3.6334 -1.649696      4.504539 
1 1 1 27 4  25 o 60.491  3.6686 36.300   3.0296  55.679  4.5623 65.304  5.7464 -9.624989      7.337276 
1 1 1 27 4  27 o 95.206  2.5851 90.994   3.2144  93.931  2.7658 96.481  4.3682 -2.550201      5.170170 
1 1 1 27 4  29 o 34.294  6.8766 13.331   3.4639  31.976  9.3465 36.612  10.089 -4.636909      13.75327 
1 1 1 27 4  31 o 64.483  3.9333 43.323   3.5198  62.611  4.9792 66.356  6.0903 -3.744434      7.866664 
1 1 1 27 4  33 o 38.471  4.9964 16.158   2.6147  43.288  7.2019 33.655  6.9274 9.632889       9.992788 
1 1 1 27 4  35 o 34.669  5.8825 15.063   2.8505  36.424  7.6884 32.913  8.9053 3.511070       11.76498 
1 1 1 27 4  37 o 24.223  5.8664 6.2232   3.0431  31.111  8.4881 17.335  8.1000 13.77666       11.73275 
1 1 1 27 5  0  o 397.888 3.6862 1585.56  29.328  397.888 3.6862 ?       ?      0.000000       0.000000 
1 1 1 27 5  2  o 249.573 2.0299 622.978  7.1290  252.452 3.0187 246.695 2.7147 5.756714       4.059773 
1 1 1 27 5  4  o 119.903 1.8022 144.731  3.0175  123.861 2.2839 115.945 2.7884 7.916031       3.604374 
1 1 1 27 5  6  o 45.924  3.1524 21.384   2.0140  43.273  4.9363 48.574  3.9222 -5.301197      6.304826 
1 1 1 27 5  8  o 100.336 2.1328 101.465  2.9921  96.583  3.2876 104.088 2.7178 -7.505165      4.265531 
1 1 1 27 5  10 o 21.891  5.5955 3.7988   2.3035  19.544  7.9296 24.238  7.8969 -4.693926      11.19109 
1 1 1 27 5  12 o 90.454  2.1440 81.999   2.7396  89.792  2.9576 91.117  3.1047 -1.325417      4.287944 
1 1 1 27 5  14 o 95.570  2.0953 91.582   2.8242  95.821  2.8318 95.318  3.0890 0.5026550      4.190532 
1 1 1 27 5  16 o 74.926  2.3893 56.647   2.5031  72.100  3.6834 77.753  3.0443 -5.653130      4.778583 
1 1 1 27 5  18 o 88.959  2.8235 81.639   3.4154  98.051  3.2384 79.868  4.6262 18.18360       5.647058 
1 1 1 27 5  20 o 91.926  2.5794 87.499   3.1103  98.548  2.6948 85.304  4.3991 13.24431       5.158873 
1 1 1 27 5  22 o 127.587 2.2644 164.548  3.8195  129.206 2.4575 125.967 3.8040 3.239738       4.528787 
1 1 1 27 5  24 o 44.431  5.8164 21.131   3.5065  43.625  7.8272 45.237  8.6056 -1.611889      11.63281 
1 1 1 27 5  26 o 58.659  3.6714 35.017   3.0175  64.828  4.9871 52.490  5.3893 12.33731       7.342762 
1 1 1 27 5  28 o 24.670  6.5174 4.5533   3.3073  20.627  9.0159 28.712  9.4138 -8.084875      13.03478 
1 1 1 27 5  30 o 47.236  3.8476 23.195   2.5688  46.034  5.5181 48.437  5.3636 -2.402489      7.695296 
1 1 1 27 5  32 o 31.172  6.3945 11.646   2.9976  29.629  9.3932 32.714  8.6790 -3.084845      12.78892 
1 1 1 27 5  34 f 43.402  5.6630 22.788   3.3236  45.178  8.3651 41.626  7.6357 3.552410       11.32603 
1 1 1 27 5  36 o 42.425  5.3141 21.929   3.1079  46.145  7.1313 38.705  7.8806 7.439526       10.62823 
1 1 1 27 5  38 o 16.826  5.5149 -0.7362  3.0699  16.111  7.3525 17.541  8.2218 -1.429970      11.02983 
1 1 1 27 6  1  o 424.474 2.7523 1806.88  16.487  423.917 3.7452 425.031 4.0342 -1.114685      5.504616 
1 1 1 27 6  3  o 304.165 2.1943 926.749  9.4370  307.554 3.1161 300.777 3.0903 6.777100       4.388598 
1 1 1 27 6  5  o 122.010 1.7589 149.087  3.0241  121.812 2.6067 122.207 2.3621 -0.3942032     3.517705 
1 1 1 27 6  7  o 72.285  2.3148 52.267   2.3614  69.300  3.2490 75.271  3.2981 -5.971497      4.629615 
1 1 1 27 6  9  o 43.217  3.9590 19.203   2.2779  40.827  6.6462 45.607  4.3040 -4.780144      7.918065 
1 1 1 27 6  11 o 150.473 1.7910 226.850  3.8095  150.918 2.4865 150.027 2.5782 0.8906708      3.581910 
1 1 1 27 6  13 o 78.306  2.2428 62.882   2.3371  83.094  2.4317 73.518  3.7694 9.576477       4.485694 
1 1 1 27 6  15 o 29.271  4.8532 8.3049   2.3292  40.275  6.1638 18.267  7.4981 22.00892       9.706385 
1 1 1 27 6  17 o 24.419  6.0538 5.1306   2.6444  28.184  8.9491 20.654  8.1552 7.529379       12.10752 
1 1 1 27 6  19 o 25.743  5.5943 6.6190   2.3035  29.825  7.9736 21.661  7.8491 8.163343       11.18870 
1 1 1 27 6  21 o 38.586  4.9752 17.112   2.3555  30.688  9.0099 46.484  4.2227 -15.79641      9.950335 
1 1 1 27 6  23 o 73.583  3.2509 54.502   3.3218  75.885  5.0212 71.282  4.1306 4.602852       6.501845 
1 1 1 27 6  25 o 103.494 2.0726 107.822  3.0307  101.675 3.0094 105.313 2.8506 -3.637741      4.145183 
1 1 1 27 6  27 o 34.917  5.7352 13.324   2.9707  43.467  7.0393 26.366  9.0563 17.10112       11.47032 
1 1 1 27 6  29 o 69.709  3.1703 49.701   3.0791  71.032  4.8766 68.386  4.0522 2.646118       6.340508 
1 1 1 27 6  31 f 50.343  4.7719 28.489   3.0908  43.241  8.1752 57.445  4.9245 -14.20409      9.543807 
1 1 1 27 6  33 o 33.368  6.7422 14.524   3.6042  27.249  11.248 39.487  7.4368 -12.23762      13.48433 
1 1 1 27 6  35 o 27.588  6.1497 9.8607   2.8681  23.101  9.1333 32.075  8.2376 -8.974010      12.29937 
1 1 1 27 6  37 o 36.879  5.6506 17.812   2.8681  42.254  7.6599 31.505  8.3093 10.74982       11.30125 
1 1 1 27 7  0  o 565.618 4.8899 3208.18  55.308  565.618 4.8899 ?       ?      0.000000       0.000000 
1 1 1 27 7  2  o 363.926 2.5410 1327.08  13.053  368.078 3.7016 359.773 3.4822 8.305145       5.082071 
1 1 1 27 7  4  o 55.702  2.8947 31.365   2.2279  54.021  4.5954 57.382  3.5214 -3.360535      5.789431 
1 1 1 27 7  6  o 138.191 1.6691 191.099  3.2596  142.050 2.3573 134.331 2.3638 7.718536       3.338266 
1 1 1 27 7  8  o 54.860  3.0137 30.173   2.3292  56.002  4.4329 53.719  4.0839 2.283291       6.027334 
1 1 1 27 7  10 o 18.116  5.0123 1.9203   1.8723  16.636  6.7911 19.597  7.3737 -2.960712      10.02451 
1 1 1 27 7  12 o 85.447  2.0498 73.687   2.4451  89.108  2.5916 81.787  3.1765 7.320801       4.099550 
1 1 1 27 7  14 o 93.540  2.2723 87.653   2.9976  98.930  3.1513 88.150  3.2747 10.78005       4.544641 
1 1 1 27 7  16 o 56.274  3.1401 31.178   2.3482  59.262  5.1632 53.285  3.5754 5.977428       6.280281 
1 1 1 27 7  18 o 85.353  2.5071 72.951   2.9310  86.467  4.0061 84.240  3.0155 2.227074       5.014171 
1 1 1 27 7  20 o 101.375 2.2701 104.880  3.0296  97.630  3.8437 105.120 2.4165 -7.489952      4.540198 
1 1 1 27 7  22 o 86.129  2.4875 75.715   2.7643  83.705  4.2762 88.554  2.5426 -4.849388      4.975022 
1 1 1 27 7  24 o 35.114  5.9320 13.012   2.7071  36.399  9.8934 33.830  6.5480 2.569340       11.86406 
1 1 1 27 7  26 o 16.860  5.4719 -2.1674  2.4236  20.740  9.1718 12.981  5.9703 7.758590       10.94381 
1 1 1 27 7  28 o 51.125  4.8275 27.305   3.2144  51.470  8.1881 50.780  5.1161 0.6901054      9.655039 
1 1 1 27 7  30 o 26.595  6.5499 7.1887   3.2280  23.315  9.8725 29.876  8.6103 -6.560759      13.09974 
1 1 1 27 7  32 o 30.512  6.1057 11.102   2.8855  25.500  9.1076 35.525  8.1345 -10.02502      12.21139 
1 1 1 27 7  34 o 23.294  5.7742 5.9259   2.6147  19.376  8.4759 27.212  7.8437 -7.835451      11.54832 
1 1 1 27 7  36 o 17.933  5.7358 0.3015   2.9636  19.354  8.8256 16.512  7.3284 2.842365       11.47151 
1 1 1 27 8  1  o 253.213 2.0097 642.608  7.1736  252.461 2.9728 253.965 2.7052 -1.503448      4.019388 
1 1 1 27 8  3  o 268.692 1.9986 723.573  7.5908  266.569 2.8804 270.815 2.7713 -4.245148      3.997162 
1 1 1 27 8  5  o 85.568  2.0275 73.363   2.4533  86.274  2.8774 84.862  2.8573 1.412628       4.055100 
1 1 1 27 8  7  o 202.136 1.8205 409.548  5.1856  203.409 2.4409 200.864 2.7017 2.544754       3.641068 
1 1 1 27 8  9  o 193.613 1.7918 375.121  4.9011  198.416 2.5605 188.809 2.5073 9.606232       3.583687 
1 1 1 27 8  11 o 76.985  2.2839 59.515   2.4811  78.415  3.0922 75.555  3.3621 2.860321       4.567844 
1 1 1 27 8  13 o 13.964  4.6440 -4.3107  2.1810  15.261  7.2185 12.667  5.8446 2.593440       9.287965 
1 1 1 27 8  15 o 36.867  4.3463 13.773   2.1923  41.363  6.0017 32.371  6.2882 8.991962       8.692636 
1 1 1 27 8  17 o 64.926  2.3661 42.454   2.1615  63.403  3.5512 66.450  3.1277 -3.047638      4.732193 
1 1 1 27 8  19 o 42.598  5.1044 20.555   2.6545  34.597  9.1880 50.600  4.4498 -16.00303      10.20877 
1 1 1 27 8  21 o 49.036  4.2645 24.955   2.4114  47.641  7.7556 50.430  3.5489 -2.788647      8.528984 
1 1 1 27 8  23 o 26.100  6.4698 5.4646   2.9460  33.105  10.273 19.095  7.8680 14.01002       12.93960 
1 1 1 27 8  25 o 16.661  5.3000 -1.9084  2.4754  19.134  8.3834 14.187  6.4867 4.947206       10.59992 
1 1 1 27 8  27 o 29.142  6.5320 8.3955   2.8618  35.957  10.355 22.328  7.9654 13.62892       13.06409 
1 1 1 27 8  29 o 21.103  6.0964 2.7273   2.7203  22.712  9.4733 19.494  7.6760 3.217997       12.19281 
1 1 1 27 8  31 o 24.842  6.2625 6.5710   2.6452  25.332  9.9075 24.352  7.6628 0.9796333      12.52502 
1 1 1 27 8  33 o 20.333  6.2827 1.5419   2.7895  26.912  10.852 13.754  6.3333 13.15775       12.56530 
1 1 1 27 8  35 o 14.700  4.9912 -4.2522  2.6812  16.083  7.8168 13.317  6.2086 2.766594       9.982409 
1 1 1 27 8  37 o 23.340  6.4998 7.2743   3.0483  27.968  10.323 18.711  7.9014 9.256927       12.99961 
1 1 1 27 9  0  o 77.497  3.4414 60.503   5.3114  77.497  3.4414 ?       ?      0.000000       0.000000 
1 1 1 27 9  2  o 191.118 1.7742 365.927  4.7911  196.960 2.4622 185.277 2.5551 11.68288       3.548376 
1 1 1 27 9  4  o 149.133 1.6847 222.805  3.5503  153.215 2.3362 145.051 2.4279 8.164612       3.369334 
1 1 1 27 9  6  o 213.018 1.8981 453.984  5.6945  215.987 2.8066 210.048 2.5561 5.938293       3.796156 
1 1 1 27 9  8  o 184.327 1.8600 340.045  4.8433  189.121 2.6558 179.532 2.6047 9.588928       3.719935 
1 1 1 27 9  10 o 55.203  3.6396 30.360   2.3990  56.016  6.4930 54.391  3.2904 1.625210       7.279171 
1 1 1 27 9  12 o 103.600 1.8436 106.260  2.5038  106.285 3.0961 100.916 2.0023 5.369270       3.687179 
1 1 1 27 9  14 o 140.518 1.9406 197.902  3.8025  140.709 2.9952 140.327 2.4685 0.3816376      3.881277 
1 1 1 27 9  16 o 109.993 2.2791 123.461  3.2408  106.144 3.9161 113.843 2.3328 -7.699860      4.558277 
1 1 1 27 9  18 o 28.608  6.0076 8.0235   2.5038  34.461  9.3233 22.755  7.5788 11.70587       12.01511 
1 1 1 27 9  20 o 46.864  4.0471 19.697   2.3263  56.891  6.6975 36.836  4.5451 20.05537       8.094143 
1 1 1 27 9  22 o 24.701  6.4777 5.0761   2.6666  27.001  10.585 22.401  7.4697 4.599899       12.95534 
1 1 1 27 9  24 o 19.843  6.0400 0.4929   2.7523  23.036  9.7400 16.649  7.1453 6.387243       12.07991 
1 1 1 27 9  26 o 23.184  5.8642 4.6788   2.5754  20.627  8.7339 25.742  7.8278 -5.114729      11.72845 
1 1 1 27 9  28 o 66.525  3.0634 44.166   2.6755  70.234  5.0964 62.816  3.4006 7.418106       6.126770 
1 1 1 27 9  30 o 16.483  5.4231 -2.4010  2.5776  19.025  8.8106 13.942  6.3258 5.082162       10.84628 
1 1 1 27 9  32 o 15.495  5.2866 -4.8604  2.7450  19.456  8.9580 11.533  5.6164 7.922656       10.57312 
1 1 1 27 9  34 o 27.800  6.5094 9.9417   2.7316  28.504  10.783 27.096  7.2946 1.407461       13.01887 
1 1 1 27 9  36 o 22.926  6.0843 7.0541   2.6426  22.492  9.3464 23.360  7.7923 -0.8681393     12.16862 
1 1 1 27 10 1  o 48.856  3.4656 23.946   2.3872  46.690  4.8224 51.023  4.9786 -4.333378      6.931207 
1 1 1 27 10 3  o 83.221  2.2817 69.390   2.6818  79.934  3.2501 86.508  3.2033 -6.574730      4.563415 
1 1 1 27 10 5  o 126.373 1.7608 159.984  3.1461  128.518 2.4707 124.228 2.5095 4.290146       3.521653 
1 1 1 27 10 7  o 100.616 2.1305 100.372  2.9691  105.283 3.2901 95.948  2.7077 9.334717       4.261016 
1 1 1 27 10 9  o 66.579  2.5829 44.299   2.3904  67.894  3.9966 65.264  3.2730 2.629311       5.165757 
1 1 1 27 10 11 o 155.322 1.8479 241.769  3.9208  155.184 2.9762 155.460 2.1910 -0.2761078     3.695726 
1 1 1 27 10 13 o 161.121 1.8115 260.349  4.0470  160.667 2.8387 161.574 2.2511 -0.9067230     3.622904 
1 1 1 27 10 15 o 36.611  4.9857 13.525   2.3916  42.006  7.5597 31.216  6.5024 10.79055       9.971454 
1 1 1 27 10 17 o 120.830 2.1044 143.885  3.4220  126.954 3.4106 114.706 2.4662 12.24789       4.208852 
1 1 1 27 10 19 o 113.206 2.2920 127.382  3.2293  115.426 4.0013 110.985 2.2368 4.441559       4.584082 
1 1 1 27 10 21 o 151.838 1.9365 231.304  4.0550  152.673 3.0630 151.003 2.3704 1.669586       3.873068 
1 1 1 27 10 23 o 93.273  2.5645 87.392   3.1627  94.258  4.2875 92.289  2.8150 1.969223       5.129006 
1 1 1 27 10 25 o 20.333  6.0369 1.2298   2.8463  20.710  9.2185 19.956  7.7971 0.7543793      12.07373 
1 1 1 27 10 27 o 48.414  4.0166 23.397   2.5208  52.589  6.6966 44.240  4.4370 8.349312       8.033144 
1 1 1 27 10 29 o 29.611  6.3317 10.125   2.8919  26.844  10.455 32.377  7.1457 -5.532751      12.66344 
1 1 1 27 10 31 o 29.770  6.2227 10.077   2.7469  36.500  9.5419 23.041  7.9901 13.45965       12.44543 
1 1 1 27 10 33 o 34.210  6.6028 15.055   2.9866  33.177  11.514 35.242  6.4665 -2.064510      13.20561 
1 1 1 27 10 35 o 17.576  5.8179 -0.7161  2.9439  20.565  9.5549 14.588  6.6403 5.976563       11.63571 
1 1 1 27 11 0  o 22.128  9.4942 7.0433   4.2722  22.128  9.4942 ?       ?      0.000000       0.000000 
1 1 1 27 11 2  o 50.341  3.4866 25.692   2.4533  45.528  5.3258 55.153  4.5011 -9.625191      6.973108 
1 1 1 27 11 4  o 39.146  4.0678 15.472   2.2516  38.704  5.8174 39.589  5.6874 -0.8848724     8.135664 
1 1 1 27 11 6  o 67.202  2.7476 44.390   2.4697  70.834  4.4827 63.571  3.1785 7.262367       5.495257 
1 1 1 27 11 8  o 38.905  5.1047 15.279   2.7122  44.378  7.1551 33.432  7.2826 10.94637       10.20939 
1 1 1 27 11 10 o 73.867  2.6680 54.326   2.6942  75.925  4.2582 71.810  3.2159 4.115181       5.336084 
1 1 1 27 11 12 o 115.869 2.0924 134.555  3.2685  116.128 3.4303 115.610 2.3970 0.5179367      4.184783 
1 1 1 27 11 14 o 96.472  2.4042 95.885   3.0508  90.411  4.0867 102.533 2.5338 -12.12183      4.808472 
1 1 1 27 11 16 o 80.764  2.7927 64.660   2.8770  83.168  4.7897 78.359  2.8734 4.808838       5.585497 
1 1 1 27 11 18 o 130.666 2.0955 171.523  3.5961  130.719 3.5332 130.613 2.2543 0.1065063      4.191081 
1 1 1 27 11 20 o 160.979 2.1089 260.154  4.6704  161.981 3.3503 159.978 2.5622 2.003143       4.217760 
1 1 1 27 11 22 o 131.517 2.2573 173.202  4.1137  134.727 3.5138 128.306 2.8347 6.421310       4.514693 
1 1 1 27 11 24 o 27.160  6.1045 4.5148   2.8580  39.806  10.240 14.513  6.6477 25.29327       12.20896 
1 1 1 27 11 26 o 24.322  6.4081 4.2007   2.6546  32.387  10.794 16.258  6.9091 16.12949       12.81611 
1 1 1 27 11 28 o 22.080  6.1590 3.7078   2.7111  25.800  9.7123 18.361  7.5764 7.438654       12.31790 
1 1 1 27 11 30 o 36.432  5.6533 15.051   2.6755  36.293  9.6810 36.571  5.8409 -0.2786407     11.30652 
1 1 1 27 11 32 o 18.564  5.9466 0.4250   2.8219  21.050  9.6686 16.077  6.9259 4.973248       11.89329 
1 1 1 27 11 34 o 22.537  6.4665 5.6158   2.9391  26.061  10.369 19.013  7.7300 7.048084       12.93298 
1 1 1 27 11 36 o 32.781  7.2898 15.423   3.1617  35.188  12.619 30.374  7.3019 4.813437       14.57962 
1 1 1 27 12 1  o 54.519  3.1240 30.000   2.3955  51.709  4.6892 57.329  4.1289 -5.619495      6.247903 
1 1 1 27 12 3  o 50.527  3.1228 24.434   2.1317  58.575  4.7310 42.479  4.0773 16.09596       6.245510 
1 1 1 27 12 5  o 134.856 1.7705 180.957  3.2489  137.620 2.8526 132.092 2.0979 5.528107       3.540992 
1 1 1 27 12 7  o 53.915  3.8994 29.324   2.9729  53.491  5.5043 54.339  5.5248 -0.8473473     7.798761 
1 1 1 27 12 9  o 53.660  3.4028 28.456   2.4520  56.369  5.5306 50.950  3.9659 5.419506       6.805569 
1 1 1 27 12 11 o 83.379  2.4147 69.356   2.6688  84.685  4.0222 82.073  2.6730 2.611496       4.829425 
1 1 1 27 12 13 o 108.708 2.1066 118.507  3.1290  109.042 3.3885 108.373 2.5038 0.6685791      4.213151 
1 1 1 27 12 15 o 109.779 2.1532 122.316  3.1697  106.618 3.5738 112.939 2.4025 -6.321831      4.306325 
1 1 1 27 12 17 o 108.820 2.1605 116.772  3.0164  112.848 3.6835 104.791 2.2588 8.056114       4.320907 
1 1 1 27 12 19 o 59.573  3.2179 33.849   2.5524  69.242  5.0027 49.905  4.0489 19.33657       6.435894 
1 1 1 27 12 21 o 22.844  6.3200 2.2206   2.9882  29.358  10.302 16.329  7.3234 13.02888       12.63995 
1 1 1 27 12 23 f 68.880  3.3434 47.201   2.7839  71.307  5.9103 66.452  3.1276 4.855392       6.686805 
1 1 1 27 12 25 o 23.039  6.1720 3.8471   2.7554  21.967  9.7663 24.112  7.5494 -2.144840      12.34399 
1 1 1 27 12 27 o 18.085  5.7813 -1.0834  2.7582  20.463  9.2818 15.706  6.8950 4.757493       11.56260 
1 1 1 27 12 29 o 21.129  6.3072 2.6983   2.7233  24.249  10.354 18.008  7.2052 6.240961       12.61436 
1 1 1 27 12 31 o 19.651  5.9322 1.5780   2.5402  25.897  10.138 13.405  6.1631 12.49176       11.86448 
1 1 1 27 12 33 o 22.750  6.3942 4.5270   2.9542  30.277  10.753 15.222  6.9224 15.05449       12.78837 
1 1 1 27 12 35 o 15.500  5.1712 -1.7600  2.7035  17.519  8.1789 13.480  6.3302 4.039618       10.34245 
1 1 1 27 13 0  o 47.841  6.4583 24.248   6.0042  47.841  6.4583 ?       ?      0.000000       0.000000 
1 1 1 27 13 2  o 29.128  5.4170 9.0661   2.2954  25.293  9.0195 32.962  6.0020 -7.668779      10.83397 
1 1 1 27 13 4  o 94.458  2.1979 87.665   2.7643  99.164  3.6096 89.753  2.5086 9.410553       4.395711 
1 1 1 27 13 6  o 165.777 2.0949 275.138  4.8828  168.024 3.1267 163.530 2.7890 4.494247       4.189854 
1 1 1 27 13 8  o 90.893  2.1943 81.866   2.6926  94.070  3.5596 87.717  2.5669 6.353210       4.388533 
1 1 1 27 13 10 o 18.474  5.6541 -0.3790  2.4750  22.324  9.2276 14.624  6.5366 7.699923       11.30822 
1 1 1 27 13 12 o 54.438  3.6486 29.656   2.5524  55.541  6.2367 53.334  3.7886 2.207096       7.297261 
1 1 1 27 13 14 o 19.570  5.5347 1.8516   2.3134  19.196  8.3161 19.944  7.3059 -0.7477303     11.06949 
1 1 1 27 13 16 o 90.831  2.4460 83.767   2.8591  89.219  4.2060 92.443  2.4981 -3.224098      4.891945 
1 1 1 27 13 18 o 103.295 2.3821 108.914  3.1803  100.203 4.0907 106.386 2.4420 -6.183388      4.764151 
1 1 1 27 13 20 o 38.300  5.6993 16.064   2.7981  35.143  10.022 41.458  5.4310 -6.315075      11.39859 
1 1 1 27 13 22 o 47.710  5.4442 24.647   2.8856  45.679  10.006 49.742  4.2944 -4.062965      10.88847 
1 1 1 27 13 24 o 33.134  6.0000 12.419   2.9201  27.752  10.307 38.515  6.1457 -10.76277      11.99996 
1 1 1 27 13 26 o 25.230  5.3796 6.1146   2.5540  18.453  8.2790 32.008  6.8716 -13.55507      10.75923 
1 1 1 27 13 28 o 23.085  6.4092 4.6978   2.7316  26.737  10.387 19.434  7.5121 7.303774       12.81845 
1 1 1 27 13 30 f 22.771  6.2022 2.6125   2.7194  32.915  10.870 12.626  5.9760 20.28891       12.40449 
1 1 1 27 13 32 o 15.442  5.2589 -4.1390  2.8323  17.298  8.4329 13.586  6.2855 3.711219       10.51773 
1 1 1 27 13 34 o 38.992  6.5414 22.200   3.0851  33.897  12.100 44.087  4.9762 -10.18943      13.08289 
1 1 1 27 14 1  o 160.435 2.0381 257.711  4.5926  162.344 3.0583 158.527 2.6949 3.816803       4.076268 
1 1 1 27 14 3  o 118.839 1.9339 142.114  3.0483  117.733 3.2364 119.945 2.1178 -2.211189      3.867750 
1 1 1 27 14 5  o 64.607  3.2315 42.148   2.9398  65.834  4.2970 63.381  4.8277 2.452805       6.463029 
1 1 1 27 14 7  o 102.538 2.1530 104.474  2.8757  104.671 3.6403 100.406 2.3000 4.264778       4.305998 
1 1 1 27 14 9  o 84.495  2.5839 71.704   2.9097  84.739  4.2921 84.250  2.8781 0.4897766      5.167754 
1 1 1 27 14 11 o 51.326  3.9528 27.348   2.5365  49.006  6.9505 53.645  3.7666 -4.639088      7.905546 
1 1 1 27 14 13 o 36.193  5.4932 13.661   2.5524  36.264  9.4556 36.122  5.5939 0.1415405      10.98633 
1 1 1 27 14 15 o 97.762  2.4263 96.242   3.0756  97.712  4.1359 97.811  2.5380 -0.9859467E-01 4.852540 
1 1 1 27 14 17 o 120.913 2.1935 147.602  3.5239  119.723 3.6648 122.102 2.4114 -2.379570      4.387004 
1 1 1 27 14 19 f 72.391  3.4897 54.807   2.9251  69.111  6.3487 75.671  2.8992 -6.559799      6.979348 
1 1 1 27 14 21 o 32.955  5.6997 12.430   2.6268  26.783  10.163 39.128  5.1642 -12.34477      11.39950 
1 1 1 27 14 23 o 18.088  5.7364 -2.4102  2.7981  23.118  9.6326 13.058  6.2320 10.05946       11.47278 
1 1 1 27 14 25 o 22.494  5.8264 4.1871   2.5524  20.301  8.9070 24.687  7.5136 -4.386179      11.65278 
1 1 1 27 14 27 o 26.131  6.3405 7.5930   2.7203  26.643  9.9707 25.620  7.8353 1.023306       12.68091 
1 1 1 27 14 29 o 16.902  5.4530 -2.1162  2.8719  16.847  8.1402 16.957  7.2581 -0.1092682     10.90609 
1 1 1 27 14 31 o 28.584  6.9579 10.155   2.8886  34.360  11.600 22.808  7.6863 11.55130       13.91577 
1 1 1 27 14 33 o 22.195  6.4155 5.6694   2.8911  22.659  10.434 21.730  7.4676 0.9296227      12.83109 
1 1 1 27 15 0  o 147.229 3.2188 217.535  9.4681  147.229 3.2188 ?       ?      0.000000       0.000000 
1 1 1 27 15 2  o 86.529  2.0287 75.087   2.4811  88.523  2.8695 84.534  2.8684 3.989494       4.057333 
1 1 1 27 15 4  o 23.602  6.3362 4.2219   2.8809  24.843  9.4311 22.361  8.4643 2.482267       12.67243 
1 1 1 27 15 6  o 28.297  5.7375 8.4128   2.3966  26.909  9.1485 29.685  6.9267 -2.776154      11.47499 
1 1 1 27 15 8  o 119.131 2.1140 142.749  3.3666  118.575 3.5056 119.686 2.3636 -1.110840      4.227946 
1 1 1 27 15 10 o 103.440 2.3106 108.833  3.1022  100.778 3.9528 106.102 2.3941 -5.324173      4.621287 
1 1 1 27 15 12 o 75.848  2.9594 57.973   2.7316  75.962  5.2441 75.735  2.7443 0.2276230      5.918742 
1 1 1 27 15 14 o 34.764  5.4858 13.088   2.5038  32.045  9.5557 37.482  5.3909 -5.437477      10.97151 
1 1 1 27 15 16 o 25.681  6.4344 6.0619   2.8145  26.126  10.095 25.235  7.9809 0.8907013      12.86874 
1 1 1 27 15 18 o 40.674  4.2487 16.320   2.3039  44.792  6.8311 36.555  5.0539 8.237907       8.497392 
1 1 1 27 15 20 o 45.034  5.4358 20.549   3.2311  54.140  7.8909 35.927  7.4783 18.21365       10.87165 
1 1 1 27 15 22 o 46.983  5.3983 24.495   2.9691  43.615  9.7741 50.350  4.5865 -6.735214      10.79669 
1 1 1 27 15 24 o 26.207  6.3269 7.0818   2.6942  25.666  10.310 26.747  7.3370 -1.080734      12.65376 
1 1 1 27 15 26 o 29.628  6.7843 9.7358   2.9837  35.121  10.884 24.134  8.1021 10.98721       13.56862 
1 1 1 27 15 28 o 20.290  6.2398 2.1278   3.0273  21.803  9.8729 18.778  7.6333 3.024490       12.47962 
1 1 1 27 15 30 o 19.217  5.9063 1.4938   2.9351  19.158  8.9453 19.275  7.7148 -0.1169815     11.81258 
1 1 1 27 15 32 o 18.278  5.8640 0.6918   2.9200  19.604  9.2947 16.952  7.1522 2.651447       11.72795 
1 1 1 27 16 1  o 73.627  2.5286 55.522   2.5662  65.811  4.0353 81.443  3.0481 -15.63268      5.057173 
1 1 1 27 16 3  o 68.869  2.6930 46.938   2.5554  64.381  3.4076 73.357  4.1711 -8.976738      5.386073 
1 1 1 27 16 5  o 163.112 2.0521 265.774  4.4278  165.036 3.4282 161.188 2.2565 3.847961       4.104172 
1 1 1 27 16 7  o 103.767 2.3084 104.440  3.1402  111.898 3.8179 95.635  2.5958 16.26376       4.616780 
1 1 1 27 16 9  o 128.685 2.1343 167.534  3.4496  127.033 3.7266 130.337 2.0818 -3.303970      4.268692 
1 1 1 27 16 11 o 84.178  2.4018 70.916   2.7334  85.678  3.9082 82.679  2.7931 2.998665       4.803695 
1 1 1 27 16 13 o 33.547  5.8464 12.499   2.8145  27.445  10.221 39.648  5.6788 -12.20286      11.69290 
1 1 1 27 16 15 o 30.061  6.1423 8.2697   2.7375  40.092  9.6137 20.030  7.6478 20.06228       12.28464 
1 1 1 27 16 17 o 68.452  3.2789 46.737   3.0703  72.753  5.1580 64.150  4.0498 8.603333       6.557882 
1 1 1 27 16 19 o 75.657  3.1353 57.386   3.2280  79.781  4.9931 71.533  3.7933 8.248558       6.270537 
1 1 1 27 16 21 o 60.557  3.9706 37.710   3.1085  61.455  6.7638 59.660  4.1611 1.795624       7.941297 
1 1 1 27 16 23 o 75.668  3.0647 57.076   2.8856  79.190  5.3219 72.147  3.0408 7.043571       6.129392 
1 1 1 27 16 25 o 70.047  3.6524 50.467   3.2150  72.080  6.3275 68.013  3.6500 4.067223       7.304762 
1 1 1 27 16 27 o 41.728  5.8912 21.630   2.8481  37.031  10.847 46.426  4.6011 -9.395111      11.78241 
1 1 1 27 16 29 o 17.538  5.6286 -0.1789  2.7530  20.121  8.9814 14.955  6.7865 5.165710       11.25712 
1 1 1 27 16 31 o 20.585  6.0022 4.2769   2.6592  22.251  9.3453 18.919  7.5348 3.332541       12.00443 
1 1 1 27 17 0  o 29.305  9.0304 10.854   4.6186  29.305  9.0304 ?       ?      0.000000       0.000000 
1 1 1 27 17 2  o 63.822  3.1979 42.443   2.7519  71.024  3.5766 56.619  5.3022 14.40454       6.395730 
1 1 1 27 17 4  o 98.189  2.0982 96.374   2.8923  101.996 3.1132 94.382  2.8138 7.613708       4.196306 
1 1 1 27 17 6  o 73.290  2.3865 53.874   2.3962  72.381  2.8714 74.199  3.8126 -1.817284      4.772922 
1 1 1 27 17 8  o 89.793  2.5933 80.757   2.9854  90.854  4.4481 88.731  2.6676 2.122955       5.186668 
1 1 1 27 17 10 o 213.598 2.1567 458.821  6.2786  213.709 3.4849 213.487 2.5420 0.2218170      4.313468 
1 1 1 27 17 12 o 215.521 1.9995 467.000  5.9169  215.079 3.1942 215.963 2.4059 -0.8833771     3.998952 
1 1 1 27 17 14 o 121.244 2.2510 148.310  3.5528  120.644 3.8283 121.843 2.3691 -1.199654      4.502049 
1 1 1 27 17 16 o 24.600  5.9175 5.3774   2.6592  21.300  9.1591 27.899  7.4953 -6.599543      11.83508 
1 1 1 27 17 18 o 27.445  6.5838 6.8647   2.5794  34.337  11.007 20.552  7.2269 13.78507       13.16760 
1 1 1 27 17 20 o 77.169  3.4753 61.339   3.5839  77.186  5.7593 77.151  3.8912 0.3584290E-01  6.950589 
1 1 1 27 17 22 o 103.754 2.2814 108.755  3.2290  105.536 3.6652 101.971 2.7176 3.565559       4.562747 
1 1 1 27 17 24 o 39.761  6.3024 16.243   2.7177  44.841  11.424 34.681  5.3269 10.15921       12.60482 
1 1 1 27 17 26 o 27.109  6.6526 9.1266   3.0751  25.974  10.623 28.243  8.0108 -2.268064      13.30512 
1 1 1 27 17 28 o 21.442  6.0626 4.4601   2.8074  20.688  9.0656 22.197  8.0521 -1.509138      12.12520 
1 1 1 27 17 30 f 33.601  5.8166 13.691   2.7369  44.153  8.5424 23.048  7.8969 21.10511       11.63329 
1 1 1 27 18 1  o 53.838  4.2506 31.224   2.9310  60.920  4.1698 46.757  7.4084 14.16316       8.501275 
1 1 1 27 18 3  o 75.310  2.2937 57.419   2.4234  79.462  2.9788 71.159  3.4887 8.303337       4.587395 
1 1 1 27 18 5  o 137.536 1.9883 189.874  3.8603  140.379 2.8788 134.693 2.7432 5.686676       3.976511 
1 1 1 27 18 7  o 79.357  2.3662 63.409   2.6544  78.242  3.3204 80.472  3.3719 -2.230057      4.732302 
1 1 1 27 18 9  o 41.244  5.1648 18.486   2.6926  37.377  9.0436 45.111  4.9912 -7.733669      10.32953 
1 1 1 27 18 11 o 119.783 2.2482 143.519  3.5087  121.304 3.8074 118.262 2.3920 3.042450       4.496490 
1 1 1 27 18 13 o 103.680 2.0094 108.054  2.9342  104.756 2.9760 102.605 2.7008 2.150154       4.018822 
1 1 1 27 18 15 o 62.285  3.5480 40.217   2.8422  60.422  6.1151 64.148  3.5999 -3.726051      7.096044 
1 1 1 27 18 17 o 66.384  3.2922 45.599   2.9121  63.923  5.5093 68.844  3.6059 -4.921650      6.584430 
1 1 1 27 18 19 o 75.667  2.8141 58.992   2.9662  71.014  4.3901 80.321  3.5220 -9.307274      5.628230 
1 1 1 27 18 21 o 49.335  4.8958 25.757   3.1975  51.192  8.1198 47.477  5.4720 3.714813       9.791528 
1 1 1 27 18 23 o 20.777  6.2821 0.3342   2.9980  27.753  10.761 13.801  6.4845 13.95183       12.56414 
1 1 1 27 18 25 o 18.029  5.6500 -0.4799  2.9237  17.345  8.2806 18.714  7.6892 -1.368326      11.30010 
1 1 1 27 18 27 o 36.036  5.5931 16.359   2.6688  31.736  9.7748 40.335  5.4390 -8.598652      11.18615 
1 1 1 27 18 29 o 38.567  6.1290 20.374   3.0937  32.035  11.016 45.100  5.3764 -13.06460      12.25805 
1 1 1 27 19 0  o 94.574  2.9364 89.947   5.5423  94.574  2.9364 ?       ?      0.000000       0.000000 
1 1 1 27 19 2  o 48.508  3.1579 23.985   2.1345  54.086  4.0562 42.931  4.8412 11.15511       6.315867 
1 1 1 27 19 4  f 99.304  2.1574 98.986   3.0241  102.590 3.0951 96.018  3.0063 6.572235       4.314826 
1 1 1 27 19 6  o 100.680 2.0693 102.712  2.9083  105.982 2.6147 95.378  3.2081 10.60409       4.138692 
1 1 1 27 19 8  o 100.060 2.0801 100.488  2.9342  102.678 3.0362 97.441  2.8439 5.236427       4.160117 
1 1 1 27 19 10 o 40.244  5.7903 18.390   2.8294  35.057  10.526 45.430  4.8290 -10.37252      11.58059 
1 1 1 27 19 12 o 30.833  6.0022 10.066   2.7122  36.673  8.7649 24.993  8.2027 11.68018       12.00448 
1 1 1 27 19 14 o 40.691  4.9259 17.522   2.7411  41.846  7.5916 39.536  6.2790 2.310310       9.851846 
1 1 1 27 19 16 o 39.844  5.2150 17.204   2.6688  38.934  8.9334 40.754  5.3832 -1.819817      10.42999 
1 1 1 27 19 18 o 60.814  3.7525 38.864   2.9201  58.657  6.4959 62.972  3.7589 -4.314568      7.505077 
1 1 1 27 19 20 o 34.222  5.7257 13.962   2.7203  28.435  10.053 40.010  5.4833 -11.57423      11.45143 
1 1 1 27 19 22 o 27.004  6.5971 8.1920   3.0784  25.433  10.408 28.575  8.1088 -3.141747      13.19411 
1 1 1 27 19 24 o 16.987  5.6863 -3.0078  3.1299  19.483  9.1586 14.492  6.7422 4.990589       11.37268 
1 1 1 27 19 26 o 17.953  5.5720 0.9077   2.6042  18.324  8.5613 17.581  7.1339 0.7434998      11.14402 
1 1 1 27 19 28 o 19.506  6.0829 2.0158   3.1859  19.739  9.2052 19.272  7.9543 0.4679070      12.16578 
1 1 1 27 20 1  o 29.609  5.4500 9.4825   2.3078  28.714  7.9680 30.504  7.4379 -1.789988      10.90006 
1 1 1 27 20 3  o 94.539  2.1838 90.106   2.9152  96.866  2.9800 92.212  3.1930 4.654335       4.367578 
1 1 1 27 20 5  o 62.195  3.0912 39.292   2.7085  62.884  4.1313 61.506  4.5993 1.377518       6.182386 
1 1 1 27 20 7  o 62.254  2.8404 39.355   2.4610  63.162  3.5648 61.346  4.4231 1.815746       5.680818 
1 1 1 27 20 9  f 49.220  3.9811 25.050   2.7177  50.526  4.9133 47.914  6.2656 2.611958       7.962286 
1 1 1 27 20 11 o 83.656  2.8003 71.914   3.0666  81.279  4.7590 86.032  2.9526 -4.753387      5.600540 
1 1 1 27 20 13 o 30.012  5.9841 10.021   2.7530  25.536  9.9861 34.488  6.5965 -8.951918      11.96815 
1 1 1 27 20 15 o 14.407  4.8934 -6.8999  2.7921  15.311  7.3611 13.502  6.4494 1.808702       9.786783 
1 1 1 27 20 17 o 53.057  4.3580 30.472   2.7668  50.087  7.8380 56.027  3.8126 -5.940334      8.716063 
1 1 1 27 20 19 f 28.846  6.2895 9.7340   2.7921  28.440  9.6717 29.252  8.0430 -0.8122520     12.57906 
1 1 1 27 20 21 o 20.303  6.3724 0.1617   3.4861  23.660  10.128 16.945  7.7365 6.714161       12.74476 
1 1 1 27 20 23 o 43.413  6.1415 24.105   3.1662  37.916  11.238 48.910  4.9576 -10.99387      12.28307 
1 1 1 27 20 25 o 34.076  6.9183 15.961   3.2457  33.628  11.783 34.523  7.2537 -0.8953590     13.83667 
1 1 1 27 20 27 o 38.165  6.6046 19.284   3.0076  37.736  11.994 38.595  5.5346 -0.8593712     13.20929 
1 1 1 27 21 0  o 9.9493  7.0422 -5.3114  5.3114  9.9493  7.0422 ?       ?      0.000000       0.000000 
1 1 1 27 21 2  o 81.497  2.3799 67.093   2.7420  80.993  3.4215 82.002  3.3090 -1.008904      4.759809 
1 1 1 27 21 4  o 96.734  2.2182 94.504   3.0307  100.068 3.0577 93.401  3.2142 6.667007       4.436311 
1 1 1 27 21 6  o 34.928  5.4065 13.486   2.5864  37.031  6.8022 32.826  8.4055 4.205395       10.81301 
1 1 1 27 21 8  o 87.612  2.2832 77.573   2.8277  87.104  3.1814 88.119  3.2758 -1.015610      4.566437 
1 1 1 27 21 10 f 97.835  2.1524 96.809   2.9729  100.441 2.9314 95.229  3.1525 5.212173       4.304792 
1 1 1 27 21 12 o 60.390  4.2261 38.406   3.4072  59.029  7.0418 61.751  4.6746 -2.721909      8.452192 
1 1 1 27 21 14 o 58.351  3.7763 34.905   2.7997  59.423  6.5094 57.279  3.8300 2.143444       7.552577 
1 1 1 27 21 16 o 60.211  3.9672 38.479   3.0309  58.591  6.8975 61.832  3.9215 -3.241096      7.934315 
1 1 1 27 21 18 o 36.151  5.8441 15.174   2.8496  34.267  9.8937 38.035  6.2233 -3.767902      11.68821 
1 1 1 27 21 20 o 28.004  6.5817 9.8907   3.0206  28.270  9.8253 27.738  8.7601 0.5325203      13.16342 
1 1 1 27 21 22 o 20.558  6.2653 2.6371   3.0010  24.149  10.109 16.967  7.4040 7.182055       12.53069 
1 1 1 27 21 24 o 24.101  6.7974 5.6950   3.2433  31.998  11.473 16.204  7.2930 15.79441       13.59477 
1 1 1 27 21 26 o 24.229  6.7633 8.5143   3.2293  25.123  10.634 23.335  8.3600 1.788143       13.52658 
1 1 1 27 22 1  o 17.383  5.3952 -1.1444  2.5967  15.532  7.1306 19.235  8.0985 -3.702745      10.79034 
1 1 1 27 22 3  o 63.482  3.2562 41.777   2.8575  70.862  3.9921 56.102  5.1453 14.75947       6.512384 
1 1 1 27 22 5  o 81.802  2.5448 68.240   2.9152  88.919  3.3113 74.685  3.8651 14.23373       5.089519 
1 1 1 27 22 7  o 52.891  3.9698 28.910   2.9505  55.979  5.7754 49.804  5.4482 6.174580       7.939683 
1 1 1 27 22 9  o 56.278  3.3111 32.670   2.6240  57.717  4.4012 54.839  4.9480 2.878201       6.622180 
1 1 1 27 22 11 o 92.059  2.3024 86.436   2.9595  95.004  2.9169 89.114  3.5631 5.889549       4.604806 
1 1 1 27 22 13 o 70.447  3.3754 50.299   3.2883  78.770  4.9839 62.124  4.5536 16.64608       6.750853 
1 1 1 27 22 15 o 22.751  6.3576 4.4743   2.8145  25.518  10.042 19.985  7.7994 5.533281       12.71514 
1 1 1 27 22 17 o 26.817  6.5850 7.7425   2.9636  32.796  10.383 20.837  8.1017 11.95891       13.17001 
1 1 1 27 22 19 o 18.438  5.7505 0.0812   2.7894  23.009  9.4817 13.868  6.5091 9.141389       11.50093 
1 1 1 27 22 21 o 31.903  6.3807 12.274   3.1627  42.797  9.6699 21.009  8.3276 21.78866       12.76147 
1 1 1 27 22 23 o 21.489  6.4164 4.4871   3.1366  23.803  10.044 19.174  7.9881 4.628523       12.83283 
1 1 1 27 22 25 o 20.645  6.4237 4.5872   3.2921  22.982  10.191 18.308  7.8225 4.674101       12.84740 
1 1 1 27 23 0  o 89.786  3.4836 81.633   6.2351  89.786  3.4836 ?       ?      0.000000       0.000000 
1 1 1 27 23 2  o 36.062  5.0015 14.318   2.4825  41.735  5.9483 30.389  8.0423 11.34562       10.00306 
1 1 1 27 23 4  o 25.756  5.9943 7.0345   2.6113  28.361  8.1283 23.151  8.8122 5.209885       11.98851 
1 1 1 27 23 6  o 63.555  3.1794 41.503   2.8575  64.037  4.5077 63.074  4.4851 0.9638023      6.358863 
1 1 1 27 23 8  o 50.320  4.1271 26.764   2.9083  52.284  5.3001 48.355  6.3278 3.929054       8.254213 
1 1 1 27 23 10 o 80.422  2.7267 66.963   3.0555  86.098  3.4198 74.747  4.2480 11.35080       5.453497 
1 1 1 27 23 12 f 61.279  3.1979 38.984   2.7663  60.531  4.3873 62.028  4.6538 -1.496273      6.395772 
1 1 1 27 23 14 o 52.112  4.4138 28.877   3.2044  57.310  6.4471 46.914  6.0300 10.39643       8.827566 
1 1 1 27 23 16 o 80.350  3.3916 67.863   3.4959  81.446  5.8125 79.253  3.4966 2.192848       6.783144 
1 1 1 27 23 18 o 59.273  3.3745 36.850   2.7334  62.941  5.3200 55.605  4.1530 7.336399       6.749075 
1 1 1 27 23 20 o 56.854  4.4596 36.678   3.3854  57.002  7.3936 56.707  4.9886 0.2947655      8.919118 
1 1 1 27 23 22 o 29.077  6.6176 11.857   3.0699  28.581  10.131 29.574  8.5166 -0.9933262     13.23523 
1 1 1 27 23 24 o 27.015  6.4977 10.835   3.2777  22.971  10.165 31.058  8.0968 -8.087093      12.99544 
1 1 1 27 24 1  o 28.450  6.0125 9.1839   2.6113  25.401  8.3022 31.500  8.6991 -6.098253      12.02499 
1 1 1 27 24 3  o 18.638  5.3130 -0.7672  2.5967  24.052  8.4726 13.224  6.4129 10.82883       10.62597 
1 1 1 27 24 5  o 44.965  4.4167 21.628   2.7997  47.308  5.9797 42.621  6.5019 4.687504       8.833488 
1 1 1 27 24 7  o 33.376  5.4302 12.757   2.5084  33.412  7.4494 33.339  7.9028 0.7263947E-01  10.86035 
1 1 1 27 24 9  o 61.197  3.1747 38.992   2.7420  62.968  4.3092 59.426  4.6632 3.541645       6.349343 
1 1 1 27 24 11 o 49.692  3.9249 26.522   2.6938  52.282  4.7483 47.102  6.2510 5.179680       7.849881 
1 1 1 27 24 13 o 64.771  3.1691 44.470   2.8085  66.344  3.7418 63.198  5.1157 3.146294       6.338104 
1 1 1 27 24 15 o 79.496  3.7461 66.930   4.0365  85.259  5.9588 73.732  4.5414 11.52686       7.492119 
1 1 1 27 24 17 o 66.407  4.3239 49.368   3.5889  64.693  7.5854 68.121  4.1527 -3.427673      8.647778 
1 1 1 27 24 19 o 23.999  6.7504 7.1375   3.1709  26.468  10.696 21.529  8.2375 4.939320       13.50075 
1 1 1 27 24 21 o 21.341  6.1786 4.8299   3.2144  19.104  8.9297 23.579  8.5418 -4.474932      12.35724 
1 1 1 27 25 0  o 30.867  10.154 12.932   5.5423  30.867  10.154 ?       ?      0.000000       0.000000 
1 1 1 27 25 2  o 19.053  5.6529 1.6165   2.5980  17.787  7.7593 20.319  8.2228 -2.532484      11.30576 
1 1 1 27 25 4  o 25.210  6.3030 7.0127   2.8277  27.061  9.0584 23.358  8.7667 3.702969       12.60596 
1 1 1 27 25 6  o 21.152  6.1039 3.1587   2.9152  19.537  8.3428 22.768  8.9121 -3.230949      12.20771 
1 1 1 27 25 8  o 25.647  5.9968 7.7689   2.5389  24.157  8.3886 27.138  8.5718 -2.981340      11.99355 
1 1 1 27 25 10 o 40.517  5.1190 19.474   2.7973  46.340  5.8554 34.694  8.3982 11.64606       10.23800 
1 1 1 27 25 12 o 30.707  6.1464 11.978   2.8435  26.022  8.6885 35.393  8.6961 -9.371063      12.29274 
1 1 1 27 25 14 o 41.992  5.0275 20.737   2.8762  44.088  6.1546 39.896  7.9513 4.191704       10.05500 
1 1 1 27 25 16 o 30.569  7.2085 13.934   3.8472  27.077  11.253 34.062  9.0117 -6.985134      14.41690 
1 1 1 27 25 18 o 26.299  6.9349 9.4503   3.1975  26.685  11.286 25.914  8.0621 0.7712269      13.86978 
1 1 1 27 25 20 o 30.010  6.7768 14.343   3.5091  25.556  10.928 34.463  8.0172 -8.907667      13.55368 
1 1 1 27 26 1  o 61.575  3.3208 40.320   2.8820  62.198  4.4554 60.952  4.9254 1.246181       6.641508 
1 1 1 27 26 3  o 37.942  5.5602 17.356   2.9432  32.507  8.7040 43.376  6.9211 -10.86826      11.12034 
1 1 1 27 26 5  o 41.220  5.4229 20.857   2.9976  32.991  9.1409 49.449  5.8376 -16.45799      10.84585 
1 1 1 27 26 7  o 21.672  6.2780 4.3267   3.0908  22.354  8.7386 20.990  9.0161 1.364531       12.55600 
1 1 1 27 26 9  o 47.147  4.3285 24.756   2.8820  45.528  6.0867 48.766  6.1560 -3.238148      8.657034 
1 1 1 27 26 11 o 37.603  6.1861 18.211   3.2237  35.946  8.6122 39.260  8.8825 -3.313156      12.37211 
1 1 1 27 26 13 o 18.741  5.7838 -1.0517  3.1976  13.590  6.6579 23.893  9.4595 -10.30256      11.56758 
1 1 1 27 26 15 f 16.660  5.4246 -2.2768  2.9393  13.268  6.4278 20.052  8.7402 -6.783247      10.84929 
1 1 1 27 26 17 o 21.199  6.5814 5.0452   3.7319  23.348  10.029 19.049  8.5252 4.299107       13.16287 
1 1 1 27 27 0  o 16.512  9.8139 4.2722   5.5423  16.512  9.8139 ?       ?      0.000000       0.000000 
1 1 1 27 27 2  o 38.489  5.6815 19.052   3.1079  49.178  5.9871 27.801  9.6578 21.37789       11.36298 
1 1 1 27 27 4  o 37.959  5.8631 18.017   3.0587  37.505  8.5064 38.413  8.0713 -0.9087868     11.72618 
1 1 1 27 27 6  o 21.856  6.0775 5.1566   2.7997  23.664  8.7894 20.048  8.3957 3.616882       12.15491 
1 1 1 27 27 8  o 23.575  6.3979 7.0023   2.9921  23.317  9.2179 23.834  8.8749 -0.5164680     12.79584 
1 1 1 27 27 10 o 44.910  5.1327 24.456   3.1079  48.726  6.0426 41.094  8.2984 7.631927       10.26532 
1 1 1 27 27 12 o 50.100  4.3196 28.808   3.0598  49.466  6.1857 50.734  6.0311 -1.267582      8.639245 
1 1 1 27 27 14 o 45.532  5.0396 26.587   2.9729  55.855  5.2714 35.208  8.5908 20.64727       10.07914 
1 1 1 27 28 1  o 52.872  4.3626 31.983   3.2616  52.830  6.1197 52.913  6.2191 -0.8349991E-01 8.725114 
1 1 1 27 28 3  o 68.228  3.5058 50.874   3.3712  68.709  4.7053 67.747  5.1982 0.9618607      7.011558 
1 1 1 27 28 5  o 59.874  3.7189 39.584   3.1461  58.099  5.3659 61.649  5.1505 -3.549953      7.437799 
1 1 1 27 28 7  o 28.092  6.6184 11.173   3.1711  25.074  9.5160 31.110  9.2012 -6.035982      13.23688 
1 1 1 27 28 9  o 16.235  5.3793 -2.0206  3.1175  15.370  7.3346 17.100  7.8710 -1.730204      10.75868 
1 1 1 27 28 11 o 21.161  5.8521 5.0676   2.8225  24.664  8.4932 17.658  8.0531 7.006651       11.70417 
1 1 1 27 29 0  o 11.489  7.9920 -2.5402  6.2351  11.489  7.9920 ?       ?      0.000000       0.000000 
1 1 1 27 29 2  o 18.364  5.7352 1.9573   3.0010  16.564  7.6906 20.164  8.5104 -3.599754      11.47046 
1 1 1 27 29 4  o 23.646  6.3037 8.0248   2.9443  26.050  9.1271 21.241  8.6974 4.808901       12.60746 
1 1 1 27 29 6  o 28.360  6.6477 12.095   3.2289  32.874  9.5945 23.846  9.2039 9.028543       13.29533 
1 1 1 28 1  1  o 82.851  2.0202 68.732   2.3656  80.765  2.8593 84.938  2.8547 -4.173264      4.040422 
1 1 1 28 1  3  o 25.417  5.3195 6.6465   2.0458  25.219  7.7353 25.616  7.3043 -0.3975201     10.63898 
1 1 1 28 1  5  o 39.540  4.7321 15.050   2.4590  30.947  6.5443 48.132  6.8369 -17.18470      9.464184 
1 1 1 28 1  7  o 128.133 1.9253 162.774  3.2582  125.055 2.1236 131.210 3.2120 -6.154953      3.850536 
1 1 1 28 1  9  o 85.608  2.3407 72.529   2.4867  83.727  2.2755 87.490  4.0912 -3.762810      4.681434 
1 1 1 28 1  11 o 69.582  2.7687 48.989   2.6470  71.568  3.3074 67.597  4.4411 3.970665       5.537389 
1 1 1 28 1  13 o 228.249 2.0956 523.649  6.5994  230.755 2.5519 225.742 3.3247 5.013702       4.191158 
1 1 1 28 1  15 o 111.376 2.1450 124.505  3.1196  111.629 2.2756 111.124 3.6367 0.5052032      4.289998 
1 1 1 28 1  17 o 69.055  3.3293 49.381   2.8463  72.419  3.1091 65.691  5.8883 6.728531       6.658678 
1 1 1 28 1  19 o 45.313  5.6608 21.146   3.0530  44.657  5.1712 45.969  10.072 -1.311882      11.32166 
1 1 1 28 1  21 o 25.798  6.1556 6.4299   2.7279  27.799  8.1810 23.796  9.2000 4.003445       12.31126 
1 1 1 28 1  23 o 30.606  5.2422 8.0299   2.8809  16.878  7.5326 44.333  7.2926 -27.45474      10.48437 
1 1 1 28 1  25 o 71.679  3.0199 52.696   2.9621  74.852  3.5479 68.505  4.8879 6.347191       6.039821 
1 1 1 28 1  27 o 65.096  3.4800 43.338   3.1914  63.559  4.7233 66.633  5.1119 -3.074257      6.959924 
1 1 1 28 1  29 o 16.592  5.5594 -7.3690  3.2883  12.639  6.2262 20.546  9.2121 -7.906742      11.11879 
1 1 1 28 1  31 o 17.176  5.6201 -3.2465  3.1290  15.896  7.3273 18.456  8.5236 -2.559694      11.24022 
1 1 1 28 1  33 o 26.785  5.9858 8.7506   2.8720  32.056  7.6580 21.514  9.2019 10.54190       11.97166 
1 1 1 28 1  35 o 35.572  5.4456 17.034   2.9743  47.963  5.6573 23.182  9.3066 24.78140       10.89120 
1 1 1 28 1  37 o 17.509  6.0709 -0.5509  2.9371  12.905  6.0213 22.112  10.544 -9.207099      12.14188 
1 1 1 28 2  0  o 71.361  3.0867 51.266   4.3877  71.361  3.0867 ?       ?      0.000000       0.000000 
1 1 1 28 2  2  o 176.053 1.7873 310.510  4.4386  175.436 2.6326 176.670 2.4182 -1.234375      3.574679 
1 1 1 28 2  4  o 138.479 1.7708 192.173  3.4601  139.549 2.3995 137.409 2.6049 2.140610       3.541644 
1 1 1 28 2  6  o 113.828 1.9949 129.695  3.1831  114.596 3.0227 113.061 2.6042 1.534813       3.989847 
1 1 1 28 2  8  o 156.328 2.0446 245.588  4.4070  158.014 2.4845 154.642 3.2480 3.371078       4.089226 
1 1 1 28 2  10 o 183.273 2.0434 340.539  5.0314  189.232 2.2882 177.314 3.3862 11.91833       4.086785 
1 1 1 28 2  12 o 22.259  6.0605 3.3932   2.4906  19.597  7.3737 24.921  9.6202 -5.323610      12.12108 
1 1 1 28 2  14 o 72.233  2.7457 50.238   2.5831  65.887  3.0668 78.579  4.5552 -12.69173      5.491350 
1 1 1 28 2  16 o 115.839 2.0513 133.999  3.2089  114.408 2.3717 117.269 3.3477 -2.860550      4.102674 
1 1 1 28 2  18 o 136.692 2.3337 188.587  4.3547  138.792 2.7454 134.593 3.7747 4.199036       4.667461 
1 1 1 28 2  20 o 118.123 2.1867 143.610  3.4450  126.078 2.3811 110.168 3.6683 15.90997       4.373342 
1 1 1 28 2  22 o 94.661  2.7677 89.318   3.5857  90.585  3.3778 98.737  4.3853 -8.151398      5.535407 
1 1 1 28 2  24 f 22.636  6.2287 3.6494   2.7035  20.317  7.7525 24.954  9.7511 -4.636761      12.45733 
1 1 1 28 2  26 o 60.642  3.5046 37.789   2.9393  61.933  4.2880 59.352  5.5444 2.580727       7.009122 
1 1 1 28 2  28 o 18.778  5.8012 -1.4313  2.7369  12.971  6.1804 24.585  9.8193 -11.61481      11.60239 
1 1 1 28 2  30 o 14.275  4.8737 -7.8901  2.8855  13.734  6.4854 14.817  7.2768 -1.083062      9.747433 
1 1 1 28 2  32 o 20.897  6.2165 2.5100   2.9460  17.778  7.6207 24.016  9.8237 -6.238182      12.43303 
1 1 1 28 2  34 o 18.049  5.7663 -0.5311  3.1238  17.904  7.9043 18.194  8.3977 -0.2904415     11.53253 
1 1 1 28 2  36 o 20.909  6.3912 3.3166   3.5390  22.383  9.2383 19.435  8.8342 2.948814       12.78241 
1 1 1 28 3  1  o 94.088  1.9738 88.611   2.6240  92.100  2.7581 96.076  2.8242 -3.976509      3.947599 
1 1 1 28 3  3  o 27.197  4.8114 7.2713   2.2133  35.971  5.7778 18.422  7.6951 17.54944       9.622762 
1 1 1 28 3  5  o 91.569  1.8508 84.016   2.3955  92.296  2.5646 90.842  2.6692 1.453979       3.701606 
1 1 1 28 3  7  o 189.495 1.8312 359.730  4.9072  188.566 2.6024 190.424 2.5770 -1.858444      3.662435 
1 1 1 28 3  9  o 115.044 1.8491 132.668  2.9921  114.604 2.7706 115.483 2.4496 -0.8789978     3.698253 
1 1 1 28 3  11 o 125.928 2.1920 160.752  3.6208  129.159 2.3243 122.698 3.7171 6.460625       4.384022 
1 1 1 28 3  13 o 252.651 2.4180 645.725  8.2402  258.891 2.7429 246.411 3.9830 12.47987       4.836069 
1 1 1 28 3  15 o 166.198 2.0338 277.020  4.5562  166.314 2.3258 166.082 3.3371 0.2316284      4.067588 
1 1 1 28 3  17 o 109.732 2.2908 120.753  3.4450  109.198 2.7492 110.267 3.6650 -1.069405      4.581511 
1 1 1 28 3  19 o 58.801  3.8490 35.066   2.7810  58.950  3.6236 58.652  6.7918 0.2982903      7.698012 
1 1 1 28 3  21 o 118.347 2.4844 141.702  4.1034  121.100 3.1464 115.595 3.8457 5.505211       4.968829 
1 1 1 28 3  23 o 26.849  6.8021 6.6787   3.2087  25.899  8.8754 27.799  10.310 -1.900257      13.60415 
1 1 1 28 3  25 o 75.959  3.2662 59.233   3.3650  78.528  3.7494 73.389  5.3493 5.138626       6.532440 
1 1 1 28 3  27 o 55.994  3.9940 32.877   3.0668  60.110  4.7062 51.878  6.4545 8.231754       7.988091 
1 1 1 28 3  29 f 19.260  5.9234 -2.2458  3.1727  14.141  6.8218 24.379  9.6856 -10.23835      11.84682 
1 1 1 28 3  31 o 33.505  6.8806 13.538   3.3475  31.963  8.6430 35.047  10.708 -3.084417      13.76116 
1 1 1 28 3  33 o 29.508  6.5718 11.325   2.9809  29.739  7.9840 29.277  10.441 0.4615631      13.14359 
1 1 1 28 3  35 o 26.243  6.9357 9.5643   3.4024  24.957  9.1682 27.528  10.409 -2.571272      13.87134 
1 1 1 28 3  37 f 33.973  8.0113 21.707   4.7768  38.047  9.6840 29.899  12.765 8.148243       16.02255 
1 1 1 28 4  0  o 88.226  2.8860 78.170   5.0804  88.226  2.8860 ?       ?      0.000000       0.000000 
1 1 1 28 4  2  o 96.545  1.8814 92.800   2.5532  103.977 2.6652 89.114  2.6562 14.86249       3.762762 
1 1 1 28 4  4  f 25.075  5.4106 6.3585   2.1037  23.089  7.5788 27.061  7.7239 -3.971592      10.82111 
1 1 1 28 4  6  o 77.349  2.2760 60.122   2.4811  75.105  3.3822 79.593  3.0464 -4.488106      4.551958 
1 1 1 28 4  8  o 133.133 1.7788 177.585  3.3485  131.659 2.5433 134.608 2.4876 -2.948761      3.557580 
1 1 1 28 4  10 o 156.404 1.7880 245.080  3.9545  156.125 2.5515 156.683 2.5056 -0.5579071     3.576042 
1 1 1 28 4  12 o 112.280 2.0372 125.887  3.2072  114.982 3.0628 109.578 2.6870 5.404076       4.074399 
1 1 1 28 4  14 o 96.186  2.0808 92.803   2.8277  96.882  2.8603 95.490  3.0229 1.391243       4.161697 
1 1 1 28 4  16 o 98.946  2.5980 98.727   3.4039  99.779  2.8352 98.114  4.3543 1.665054       5.195985 
1 1 1 28 4  18 o 156.299 2.1290 244.956  4.5167  155.634 2.4854 156.964 3.4574 -1.329269      4.257990 
1 1 1 28 4  20 o 126.256 2.2703 159.842  3.8195  125.354 2.5331 127.159 3.7684 -1.805077      4.540579 
1 1 1 28 4  22 o 79.426  3.1949 62.997   3.4667  75.761  3.8864 83.091  5.0721 -7.330666      6.389843 
1 1 1 28 4  24 o 104.106 2.5163 107.591  3.5650  98.908  3.0352 109.304 4.0142 -10.39629      5.032507 
1 1 1 28 4  26 o 60.915  3.8476 39.040   3.1456  65.090  4.2574 56.739  6.4103 8.350769       7.695255 
1 1 1 28 4  28 o 22.708  6.7192 1.1196   3.6678  23.592  8.7104 21.823  10.233 1.769735       13.43830 
1 1 1 28 4  30 o 65.935  3.7508 44.742   3.3666  62.176  4.5498 69.694  5.9643 -7.518276      7.501552 
1 1 1 28 4  32 o 42.010  5.9331 21.848   3.1627  48.375  5.3705 35.646  10.581 12.72914       11.86624 
1 1 1 28 4  34 o 24.966  6.7189 7.7382   3.2259  24.020  8.8887 25.911  10.078 -1.890953      13.43774 
1 1 1 28 4  36 f 45.350  6.4325 28.058   3.9835  43.808  9.3664 46.893  8.8191 -3.084629      12.86490 
1 1 1 28 5  1  o 316.616 2.2240 1004.68  9.9547  319.992 3.1754 313.241 3.1148 6.750458       4.448003 
1 1 1 28 5  3  o 139.731 1.8553 195.605  3.6658  140.105 2.5960 139.357 2.6514 0.7476044      3.710657 
1 1 1 28 5  5  o 26.882  5.2906 7.4287   2.1299  22.904  7.5788 30.860  7.3840 -7.955475      10.58116 
1 1 1 28 5  7  o 24.625  5.5712 5.8887   2.2043  21.510  7.5587 27.741  8.1865 -6.231205      11.14233 
1 1 1 28 5  9  o 60.298  2.8184 36.605   2.3928  58.900  4.2148 61.696  3.7430 -2.796543      5.636880 
1 1 1 28 5  11 o 102.084 1.9596 104.418  2.8277  101.608 2.7273 102.561 2.8145 -0.9524918     3.919154 
1 1 1 28 5  13 o 123.035 1.8243 151.238  3.1658  128.769 2.6004 117.300 2.5593 11.46932       3.648561 
1 1 1 28 5  15 o 53.459  3.4037 28.813   2.5662  50.397  4.9258 56.521  4.6986 -6.123962      6.807382 
1 1 1 28 5  17 o 26.791  5.7036 6.8189   2.5610  33.660  8.1389 19.922  7.9926 13.73833       11.40715 
1 1 1 28 5  19 o 71.877  3.2685 52.821   3.1299  74.029  3.5874 69.726  5.4647 4.302925       6.537018 
1 1 1 28 5  21 o 69.282  3.6405 52.379   3.1495  80.399  3.3750 58.165  6.4516 22.23347       7.281052 
1 1 1 28 5  23 o 61.313  3.9135 38.466   3.1196  62.044  4.0942 60.582  6.6707 1.461826       7.826912 
1 1 1 28 5  25 o 46.151  5.3760 24.090   3.0296  53.098  4.7841 39.203  9.6291 13.89428       10.75205 
1 1 1 28 5  27 o 58.631  3.6228 35.155   2.9621  56.665  4.6866 60.596  5.5259 -3.931190      7.245670 
1 1 1 28 5  29 o 82.893  3.2065 71.116   3.6859  84.476  3.9638 81.310  5.0412 3.166016       6.412926 
1 1 1 28 5  31 o 43.623  5.2725 21.503   3.1461  39.930  8.2333 47.317  6.5887 -7.386257      10.54507 
1 1 1 28 5  33 o 18.487  5.8133 -1.0746  3.2745  15.855  7.6208 21.120  8.7808 -5.264508      11.62665 
1 1 1 28 5  35 o 21.810  6.1348 5.4221   2.8277  22.092  8.7714 21.528  8.5795 0.5633240      12.26969 
1 1 1 28 5  37 o 19.161  6.3039 0.0573   4.1115  19.977  9.2499 18.344  8.5671 1.632908       12.60775 
1 1 1 28 6  0  o 317.089 3.1687 1007.08  20.091  317.089 3.1687 ?       ?      0.000000       0.000000 
1 1 1 28 6  2  o 190.790 1.8401 363.668  4.9408  195.275 2.7199 186.306 2.4790 8.969498       3.680178 
1 1 1 28 6  4  o 180.981 1.8052 328.220  4.6179  182.517 2.4989 179.446 2.6060 3.070419       3.610461 
1 1 1 28 6  6  o 192.194 1.8586 370.079  5.0501  192.833 2.6646 191.555 2.5919 1.278595       3.717270 
1 1 1 28 6  8  o 90.417  2.3668 82.287   2.9743  88.953  3.6994 91.882  2.9532 -2.928749      4.733587 
1 1 1 28 6  10 o 53.013  3.3152 28.181   2.4610  54.072  5.0181 51.955  4.3337 2.117687       6.630440 
1 1 1 28 6  12 o 55.324  3.4316 30.818   2.6842  56.259  4.8231 54.389  4.8827 1.870083       6.863164 
1 1 1 28 6  14 f 33.826  5.4009 11.949   2.5074  38.128  7.6891 29.524  7.5864 8.604074       10.80171 
1 1 1 28 6  16 o 20.747  5.9582 1.9143   2.7420  21.509  8.5155 19.985  8.3357 1.523796       11.91630 
1 1 1 28 6  18 o 36.682  4.7183 14.211   2.3445  25.560  7.7145 47.804  5.4346 -22.24401      9.436592 
1 1 1 28 6  20 o 16.443  5.2702 -2.5402  2.5884  17.618  7.9352 15.269  6.9379 2.348619       10.54049 
1 1 1 28 6  22 o 42.897  5.2344 19.444   3.0326  41.123  8.4328 44.671  6.2035 -3.548206      10.46883 
1 1 1 28 6  24 o 42.746  4.5165 18.313   2.6326  46.791  7.0329 38.701  5.6686 8.089703       9.032964 
1 1 1 28 6  26 o 35.947  5.9883 14.220   2.9621  38.132  8.9292 33.762  7.9818 4.370132       11.97662 
1 1 1 28 6  28 o 73.603  2.7456 54.548   2.7921  77.301  4.2571 69.905  3.4687 7.395889       5.491293 
1 1 1 28 6  30 o 33.930  6.1701 13.637   3.0010  37.035  8.4460 30.825  8.9970 6.209873       12.34024 
1 1 1 28 6  32 o 17.910  5.6146 -0.0434  2.8809  17.126  7.9338 18.694  7.9466 -1.567081      11.22911 
1 1 1 28 6  34 o 21.158  6.3391 2.8404   3.4553  25.383  9.9115 16.934  7.9057 8.449347       12.67826 
1 1 1 28 6  36 o 20.477  6.2170 4.6642   3.0922  21.493  9.5351 19.461  7.9803 2.032042       12.43392 
1 1 1 28 7  1  o 154.023 1.6965 237.626  3.6949  155.260 2.3798 152.786 2.4183 2.473892       3.392903 
1 1 1 28 7  3  o 86.897  2.1175 75.590   2.5928  92.634  2.9292 81.161  3.0587 11.47398       4.235080 
1 1 1 28 7  5  o 160.850 1.7638 258.814  4.0022  163.688 2.5747 158.011 2.4114 5.677521       3.527610 
1 1 1 28 7  7  o 140.180 1.9221 196.925  3.8103  139.624 2.7290 140.736 2.7074 -1.111984      3.844158 
1 1 1 28 7  9  o 112.360 1.8580 126.442  2.9262  112.626 2.8193 112.094 2.4207 0.5314789      3.715928 
1 1 1 28 7  11 o 48.319  3.8680 23.633   2.6265  51.779  5.1288 44.859  5.7914 6.920677       7.735984 
1 1 1 28 7  13 o 103.934 2.0997 107.615  3.0668  111.488 3.0034 96.380  2.9351 15.10854       4.199478 
1 1 1 28 7  15 o 109.463 2.0300 119.333  3.1144  114.909 3.0145 104.017 2.7196 10.89218       4.060018 
1 1 1 28 7  17 f 112.980 1.9530 128.230  3.1165  114.521 2.6718 111.439 2.8493 3.082230       3.906066 
1 1 1 28 7  19 f 47.854  4.9444 27.402   2.5058  37.349  9.2993 58.358  3.3635 -21.00925      9.888865 
1 1 1 28 7  21 o 59.427  3.5506 36.934   2.6140  56.051  6.2830 62.803  3.3093 -6.752056      7.101253 
1 1 1 28 7  23 o 44.762  4.6321 19.092   2.5776  50.690  7.8586 38.833  4.9060 11.85656       9.264256 
1 1 1 28 7  25 o 74.222  2.8836 54.926   2.8422  77.732  4.7533 70.711  3.2658 7.021027       5.767107 
1 1 1 28 7  27 o 32.371  6.0291 10.700   2.5402  39.836  9.6526 24.906  7.2268 14.92976       12.05815 
1 1 1 28 7  29 o 26.345  6.3898 7.4937   2.8127  29.849  9.7562 22.840  8.2543 7.008518       12.77955 
1 1 1 28 7  31 o 38.485  6.0157 16.896   2.8481  39.488  10.596 37.482  5.6990 2.006824       12.03138 
1 1 1 28 7  33 o 25.677  6.7030 7.6615   3.5252  22.303  10.026 29.051  8.8999 -6.747906      13.40599 
1 1 1 28 7  35 o 22.082  6.0451 4.9629   2.9979  19.035  8.7889 25.129  8.3021 -6.094128      12.09011 
1 1 1 28 8  0  o 115.343 2.5555 133.362  5.8887  115.343 2.5555 ?       ?      0.000000       0.000000 
1 1 1 28 8  2  o 161.872 1.7303 262.711  3.9545  167.987 2.3713 155.758 2.5205 12.22911       3.460623 
1 1 1 28 8  4  o 110.685 1.7516 122.616  2.7396  113.261 2.4977 108.110 2.4565 5.151329       3.503226 
1 1 1 28 8  6  o 222.607 2.0083 496.676  6.3205  222.705 2.7997 222.510 2.8800 0.1954651      4.016561 
1 1 1 28 8  8  o 243.264 2.1421 593.794  7.3580  247.085 2.9207 239.443 3.1344 7.642426       4.284275 
1 1 1 28 8  10 o 105.926 2.0253 112.159  3.0087  107.894 3.0500 103.959 2.6656 3.934105       4.050666 
1 1 1 28 8  12 o 61.357  3.0638 37.930   2.6557  59.711  4.4476 63.004  4.2151 -3.293209      6.127653 
1 1 1 28 8  14 o 37.141  5.7538 14.964   2.9621  31.515  9.6885 42.768  6.2096 -11.25214      11.50767 
1 1 1 28 8  16 o 26.136  5.2952 6.2652   2.5302  18.830  8.4035 33.441  6.4451 -14.61022      10.59044 
1 1 1 28 8  18 o 71.919  2.7526 52.213   2.6326  71.714  4.5887 72.124  3.0417 -0.4096375     5.505279 
1 1 1 28 8  20 o 108.526 2.2417 119.558  3.1366  106.455 3.8505 110.597 2.2968 -4.142082      4.483459 
1 1 1 28 8  22 o 67.608  3.3501 45.296   2.8086  70.191  5.8397 65.026  3.2850 5.165703       6.700287 
1 1 1 28 8  24 o 64.124  3.2586 41.903   2.8329  64.221  5.3038 64.026  3.7871 0.1950302      6.517132 
1 1 1 28 8  26 o 85.922  2.6113 73.829   2.8294  88.208  4.5161 83.635  2.6231 4.572784       5.222589 
1 1 1 28 8  28 o 100.129 2.6229 100.182  3.3402  103.932 4.4994 96.326  2.6971 7.606239       5.245836 
1 1 1 28 8  30 o 45.275  5.9929 23.638   3.5003  44.309  10.232 46.241  6.2425 -1.932117      11.98576 
1 1 1 28 8  32 o 29.582  6.2518 10.199   2.3676  33.039  10.717 26.126  6.4408 6.913069       12.50353 
1 1 1 28 8  34 o 19.845  5.9374 3.0032   2.7525  23.293  9.4198 16.397  7.2303 6.895813       11.87476 
1 1 1 28 8  36 o 22.657  6.3706 6.3111   3.0321  21.914  9.9990 23.400  7.8969 -1.486124      12.74129 
1 1 1 28 9  1  o 21.921  5.8553 3.4785   2.5110  20.510  8.2006 23.331  8.3599 -2.821020      11.71057 
1 1 1 28 9  3  o 140.024 1.8917 197.338  3.7181  145.436 2.4612 134.612 2.8735 10.82399       3.783414 
1 1 1 28 9  5  o 25.318  5.7939 6.3506   2.3670  25.812  8.1850 24.825  8.2027 0.9870758      11.58786 
1 1 1 28 9  7  o 51.102  3.2254 26.304   2.2732  51.421  3.9296 50.783  5.1158 0.6385155      6.450800 
1 1 1 28 9  9  o 120.337 2.3477 145.633  3.9827  124.565 3.1516 116.109 3.4806 8.455658       4.695426 
1 1 1 28 9  11 o 94.640  2.1222 89.543   2.7865  96.096  3.3043 93.183  2.6641 2.912239       4.244487 
1 1 1 28 9  13 o 84.176  2.2217 71.410   2.6113  82.400  3.4331 85.952  2.8211 -3.551674      4.443486 
1 1 1 28 9  15 o 40.484  4.5684 16.024   2.4427  47.632  6.7875 33.337  6.1165 14.29497       9.136833 
1 1 1 28 9  17 o 39.181  5.1420 16.193   2.5906  38.058  8.8131 40.303  5.3001 -2.245228      10.28403 
1 1 1 28 9  19 o 153.217 2.1472 234.845  4.4152  155.377 3.5298 151.058 2.4460 4.319794       4.294491 
1 1 1 28 9  21 o 177.680 2.0116 316.864  4.7710  178.277 3.3355 177.083 2.2495 1.193893       4.023182 
1 1 1 28 9  23 o 117.169 2.2013 138.822  3.3795  116.225 3.7255 118.113 2.3462 -1.888138      4.402683 
1 1 1 28 9  25 o 45.093  4.1651 20.736   2.5754  47.679  6.5387 42.507  5.1611 5.171795       8.330162 
1 1 1 28 9  27 o 18.696  6.0431 -2.6330  3.3854  20.593  9.3613 16.798  7.6449 3.795628       12.08625 
1 1 1 28 9  29 o 40.126  5.5863 17.997   2.9697  41.439  9.1608 38.813  6.3960 2.625416       11.17268 
1 1 1 28 9  31 o 20.169  5.9244 2.5319   2.7233  19.840  9.2340 20.499  7.4249 -0.6584854     11.84882 
1 1 1 28 9  33 o 17.195  5.5345 -1.4747  2.9980  16.863  8.1657 17.528  7.4728 -0.6650372     11.06895 
1 1 1 28 9  35 f 17.903  5.8364 1.0979   2.8608  21.528  9.6630 14.279  6.5485 7.248524       11.67287 
1 1 1 28 10 0  o 65.741  3.8924 43.761   5.0804  65.741  3.8924 ?       ?      0.000000       0.000000 
1 1 1 28 10 2  f 43.536  4.0525 19.121   2.4771  47.496  5.4699 39.576  5.9810 7.919834       8.105048 
1 1 1 28 10 4  o 110.647 1.9366 122.497  3.0241  108.362 2.6639 112.931 2.8117 -4.569267      3.873210 
1 1 1 28 10 6  o 54.562  3.2965 29.971   2.5350  54.387  4.8829 54.737  4.4298 -0.3494453     6.592904 
1 1 1 28 10 8  o 161.094 2.5576 260.253  5.3899  160.693 2.7305 161.495 4.3256 -0.8022003     5.115268 
1 1 1 28 10 10 o 268.022 2.2756 717.600  8.3006  272.067 3.6710 263.978 2.6900 8.088470       4.551130 
1 1 1 28 10 12 o 158.390 1.8872 251.496  4.0978  158.667 3.0200 158.114 2.2638 0.5529327      3.774310 
1 1 1 28 10 14 o 54.440  3.8370 29.955   2.5638  54.585  6.7691 54.296  3.6152 0.2889290      7.673965 
1 1 1 28 10 16 o 113.585 2.3199 127.684  3.5181  118.234 3.8087 108.936 2.6498 9.297768       4.639771 
1 1 1 28 10 18 o 106.429 2.5172 112.812  3.5087  109.152 4.2313 103.705 2.7278 5.446411       5.034394 
1 1 1 28 10 20 o 105.530 2.6109 112.382  3.3834  105.218 4.6090 105.842 2.4546 -0.6237259     5.221847 
1 1 1 28 10 22 o 81.991  2.9422 67.906   3.0315  82.286  5.1217 81.696  2.8974 0.5906219      5.884418 
1 1 1 28 10 24 o 25.445  6.4321 5.1785   2.8757  32.742  10.385 18.149  7.5922 14.59241       12.86428 
1 1 1 28 10 26 o 25.987  5.8409 5.0856   3.1602  17.561  8.2166 34.412  8.3037 -16.85155      11.68178 
1 1 1 28 10 28 o 49.970  4.4902 26.403   2.8618  50.846  7.7210 49.095  4.5862 1.751453       8.980325 
1 1 1 28 10 30 o 21.475  6.1013 3.7786   2.8220  20.852  9.4081 22.099  7.7710 -1.247501      12.20254 
1 1 1 28 10 32 o 20.054  6.0268 2.3294   3.0121  19.445  9.0743 20.664  7.9338 -1.219673      12.05358 
1 1 1 28 10 34 f 26.916  6.5237 9.2627   2.6013  33.238  10.794 20.594  7.3291 12.64431       13.04732 
1 1 1 28 11 1  o 68.460  2.6482 47.159   2.5350  75.995  3.4946 60.925  3.9799 15.06939       5.296354 
1 1 1 28 11 3  o 95.475  2.0144 91.267   2.6938  96.211  3.0603 94.740  2.6203 1.471130       4.028839 
1 1 1 28 11 5  o 156.939 1.8219 245.657  4.0008  161.300 2.7560 152.577 2.3838 8.722763       3.643882 
1 1 1 28 11 7  o 111.918 2.3236 126.344  3.5922  109.677 3.6847 114.159 2.8320 -4.481224      4.647289 
1 1 1 28 11 9  o 221.222 2.0736 489.893  6.2205  222.724 3.3697 219.719 2.4173 3.004105       4.147127 
1 1 1 28 11 11 o 116.712 2.1893 135.875  3.1166  117.851 3.8700 115.573 2.0481 2.278336       4.378542 
1 1 1 28 11 13 o 23.113  5.9438 4.4261   2.3040  26.740  9.5443 19.486  7.0866 7.254421       11.88757 
1 1 1 28 11 15 f 108.084 2.3503 116.324  3.3087  110.426 3.9734 105.741 2.5115 4.685181       4.700567 
1 1 1 28 11 17 o 74.195  3.0962 54.243   2.8719  77.498  5.3637 70.892  3.0946 6.605934       6.192363 
1 1 1 28 11 19 o 46.238  4.6154 22.692   2.6926  43.448  8.0072 49.028  4.5924 -5.580269      9.230716 
1 1 1 28 11 21 o 25.615  5.8550 6.0888   2.6042  21.936  9.5178 29.294  6.8216 -7.357836      11.70998 
1 1 1 28 11 23 o 49.283  4.5041 24.992   3.0106  50.841  7.2675 47.725  5.3226 3.116028       9.008108 
1 1 1 28 11 25 o 40.162  6.2901 17.765   3.4072  46.907  9.1893 33.418  8.5916 13.48877       12.58013 
1 1 1 28 11 27 o 27.615  6.1719 8.5788   2.6532  30.997  9.3126 24.234  8.1021 6.763584       12.34372 
1 1 1 28 11 29 o 56.204  4.0367 35.355   2.8496  50.289  7.1177 62.120  3.8104 -11.83088      8.073441 
1 1 1 28 11 31 o 17.597  5.6920 -0.4932  2.7949  20.095  9.1432 15.099  6.7820 4.995832       11.38391 
1 1 1 28 11 33 o 21.451  6.4366 4.4394   2.9891  24.492  10.403 18.411  7.5833 6.080206       12.87327 
1 1 1 28 12 0  o 107.295 3.0185 115.580  6.4660  107.295 3.0185 ?       ?      0.000000       0.000000 
1 1 1 28 12 2  o 49.138  3.4308 24.926   2.3035  54.738  4.0079 43.538  5.5693 11.20070       6.861520 
1 1 1 28 12 4  o 74.862  2.7216 56.645   2.8435  72.557  4.2171 77.166  3.4415 -4.608070      5.443165 
1 1 1 28 12 6  o 71.677  2.9628 51.725   3.0010  69.472  4.2382 73.883  4.1414 -4.410591      5.925683 
1 1 1 28 12 8  o 106.457 2.1629 113.958  3.1103  105.925 3.5427 106.990 2.4822 -1.064346      4.325728 
1 1 1 28 12 10 o 132.079 1.8860 174.801  3.4239  132.673 3.0025 131.485 2.2832 1.187836       3.772019 
1 1 1 28 12 12 o 110.103 2.1294 118.830  3.0922  116.239 3.5264 103.966 2.3878 12.27229       4.258723 
1 1 1 28 12 14 o 48.508  4.1873 23.636   2.6592  50.105  7.0285 46.910  4.5536 3.195335       8.374674 
1 1 1 28 12 16 o 24.595  6.3897 4.8312   2.6042  29.947  10.464 19.243  7.3359 10.70394       12.77947 
1 1 1 28 12 18 o 79.024  3.2134 64.920   3.1402  75.123  5.6869 82.924  2.9937 -7.801071      6.426758 
1 1 1 28 12 20 o 71.531  3.2080 53.203   2.8463  68.268  5.6660 74.794  3.0104 -6.525742      6.416052 
1 1 1 28 12 22 o 25.777  5.6455 5.0317   2.9809  18.115  8.4885 33.438  7.4453 -15.32316      11.29104 
1 1 1 28 12 24 o 56.191  4.5129 32.516   3.4220  59.661  7.2576 52.721  5.3657 6.939804       9.025702 
1 1 1 28 12 26 o 20.247  6.0823 1.6133   2.8770  21.199  9.4026 19.295  7.7181 1.903868       12.16464 
1 1 1 28 12 28 o 41.248  5.6669 21.096   2.9030  33.216  10.266 49.279  4.8033 -16.06306      11.33385 
1 1 1 28 12 30 f 22.835  6.5725 4.3379   3.0937  29.019  10.886 16.652  7.3672 12.36727       13.14491 
1 1 1 28 12 32 o 20.008  6.0343 2.6507   3.0121  19.571  9.1105 20.444  7.9152 -0.8729706     12.06860 
1 1 1 28 12 34 o 26.146  6.1770 9.5885   2.6321  27.704  9.3262 24.588  8.1021 3.116154       12.35400 
1 1 1 28 13 1  o 18.326  5.4299 0.6703   2.3614  19.185  7.9385 17.466  7.4104 1.718189       10.85971 
1 1 1 28 13 3  o 36.373  4.9368 12.889   2.3815  43.958  7.2235 28.789  6.7313 15.16838       9.873682 
1 1 1 28 13 5  o 126.605 2.4020 160.915  4.2962  130.482 3.4069 122.728 3.3870 7.754875       4.803992 
1 1 1 28 13 7  o 166.639 2.0790 276.499  4.6736  170.395 3.3882 162.884 2.4102 7.510300       4.157945 
1 1 1 28 13 9  o 123.032 2.0647 150.611  3.4039  125.953 3.3919 120.112 2.3552 5.840790       4.129402 
1 1 1 28 13 11 o 149.576 2.0128 223.135  3.8969  151.652 3.4262 147.500 2.1136 4.151062       4.025691 
1 1 1 28 13 13 f 60.058  3.1172 36.845   2.5518  58.088  5.0687 62.028  3.6299 -3.939220      6.234457 
1 1 1 28 13 15 o 80.505  2.5908 63.670   2.7071  84.768  4.3588 76.242  2.8017 8.525467       5.181605 
1 1 1 28 13 17 o 40.708  5.3127 17.827   2.4759  38.701  9.7053 42.716  4.3249 -4.015148      10.62532 
1 1 1 28 13 19 o 25.558  6.2988 6.2248   2.7894  24.586  9.7115 26.529  8.0240 -1.943110      12.59750 
1 1 1 28 13 21 o 67.111  3.1968 44.099   2.7179  72.017  5.4512 62.205  3.3411 9.811359       6.393662 
1 1 1 28 13 23 o 35.043  6.5978 14.118   3.2678  34.878  10.352 35.208  8.1832 -0.3294182     13.19569 
1 1 1 28 13 25 o 22.140  6.4376 3.2958   2.9980  23.775  10.151 20.504  7.9200 3.271084       12.87516 
1 1 1 28 13 27 o 15.649  5.2130 -3.9643  2.6942  16.894  8.1307 14.405  6.5262 2.489001       10.42594 
1 1 1 28 13 29 o 24.298  5.9825 6.3858   2.8770  20.145  9.1424 28.451  7.7186 -8.305586      11.96499 
1 1 1 28 13 31 o 19.639  6.1149 2.3904   2.9209  22.847  9.8890 16.432  7.1954 6.415115       12.22973 
1 1 1 28 13 33 o 19.041  6.0286 2.1810   3.1524  19.579  9.3144 18.502  7.6563 1.077484       12.05723 
1 1 1 28 14 0  o 25.503  10.673 9.3526   5.4268  25.503  10.673 ?       ?      0.000000       0.000000 
1 1 1 28 14 2  o 50.567  3.5900 24.935   2.4754  60.041  5.0962 41.094  5.0576 18.94732       7.179914 
1 1 1 28 14 4  o 57.685  3.7007 33.754   2.8922  57.362  6.0387 58.007  4.2796 -0.6451721     7.401453 
1 1 1 28 14 6  o 39.928  5.1439 17.368   2.5477  35.934  9.1349 43.923  4.7319 -7.988781      10.28775 
1 1 1 28 14 8  o 34.988  5.6569 12.535   2.5005  36.120  9.8150 33.855  5.6273 2.264465       11.31380 
1 1 1 28 14 10 o 138.457 2.1319 190.978  3.7899  140.812 3.6490 136.103 2.2057 4.708801       4.263836 
1 1 1 28 14 12 f 56.828  3.2240 32.675   2.4339  56.930  5.3747 56.726  3.5621 0.2037659      6.447969 
1 1 1 28 14 14 o 25.721  6.0678 6.4583   2.5351  28.805  9.2263 22.637  7.8834 6.168608       12.13562 
1 1 1 28 14 16 o 96.334  2.1727 94.218   2.8809  92.970  3.4775 99.699  2.6058 -6.728569      4.345467 
1 1 1 28 14 18 o 68.075  3.2944 48.586   2.8677  63.514  5.7265 72.635  3.2588 -9.120689      6.588785 
1 1 1 28 14 20 o 31.518  5.6501 11.233   2.5638  25.723  10.001 37.313  5.2606 -11.59042      11.30017 
1 1 1 28 14 22 o 41.207  6.1222 20.095   3.1557  35.105  11.063 47.309  5.2474 -12.20393      12.24442 
1 1 1 28 14 24 o 27.574  6.7946 8.1569   2.9747  28.454  11.157 26.695  7.7580 1.759172       13.58921 
1 1 1 28 14 26 o 15.285  5.0840 -4.0623  2.6452  16.279  7.8053 14.290  6.5166 1.989655       10.16802 
1 1 1 28 14 28 o 18.009  5.7889 -1.1575  3.0321  18.565  8.9412 17.453  7.3552 1.112165       11.57775 
1 1 1 28 14 30 o 23.787  6.6402 6.8446   3.0636  24.478  10.607 23.096  7.9919 1.381916       13.28047 
1 1 1 28 14 32 o 28.702  7.3306 12.776   3.3476  33.981  12.042 23.423  8.3632 10.55748       14.66117 
1 1 1 28 15 1  o 78.351  2.3445 61.720   2.5967  76.814  3.3070 79.889  3.3242 -3.074280      4.688981 
1 1 1 28 15 3  o 94.195  2.3433 90.391   2.8422  91.593  4.0340 96.798  2.3857 -5.204941      4.686666 
1 1 1 28 15 5  o 38.703  5.2970 15.475   2.6688  41.730  8.4576 35.676  6.3797 6.053837       10.59397 
1 1 1 28 15 7  f 23.867  5.9646 4.8729   2.5143  28.349  9.1429 19.386  7.6626 8.962624       11.92929 
1 1 1 28 15 9  o 19.081  5.8788 -0.8951  2.6751  24.266  9.8578 13.897  6.4083 10.36899       11.75765 
1 1 1 28 15 11 o 51.323  4.2240 26.441   2.8591  53.406  7.0266 49.239  4.6899 4.166779       8.447959 
1 1 1 28 15 13 o 19.979  5.4522 2.6776   2.1193  20.100  8.4522 19.859  6.8897 0.2414017      10.90445 
1 1 1 28 15 15 o 22.584  5.8783 3.4723   2.7140  19.297  8.5543 25.871  8.0647 -6.573864      11.75653 
1 1 1 28 15 17 o 22.630  5.9513 3.9983   2.6692  20.291  8.6248 24.970  8.2027 -4.678991      11.90257 
1 1 1 28 15 19 o 41.465  5.5826 18.590   2.9369  40.485  9.6727 42.445  5.5767 -1.959789      11.16513 
1 1 1 28 15 21 o 40.237  6.1016 17.693   3.1975  43.706  9.7599 36.768  7.3255 6.937855       12.20326 
1 1 1 28 15 23 o 30.947  6.6787 10.963   3.5733  25.072  10.763 36.822  7.9100 -11.75030      13.35744 
1 1 1 28 15 25 o 29.659  6.6923 9.1092   2.6775  37.456  11.180 21.863  7.3591 15.59325       13.38469 
1 1 1 28 15 27 o 22.874  6.5851 4.3001   3.0260  29.539  11.042 16.210  7.1783 13.32932       13.17029 
1 1 1 28 15 29 o 18.403  5.8607 0.2701   3.1234  18.819  8.8698 17.988  7.6628 0.8308868      11.72144 
1 1 1 28 15 31 o 22.996  6.1798 6.7736   3.0273  20.377  9.4560 25.614  7.9590 -5.237474      12.35968 
1 1 1 28 16 0  o 143.778 2.6522 207.374  7.6207  143.778 2.6522 ?       ?      0.000000       0.000000 
1 1 1 28 16 2  o 60.014  2.9584 36.363   2.5084  61.579  4.2189 58.449  4.1485 3.130020       5.916861 
1 1 1 28 16 4  o 79.678  2.2028 62.626   2.3966  84.695  3.4764 74.661  2.7064 10.03463       4.405674 
1 1 1 28 16 6  o 124.561 2.2656 153.278  3.5717  128.665 3.9037 120.457 2.3005 8.207603       4.531155 
1 1 1 28 16 8  f 72.596  2.7817 52.819   2.8225  75.774  4.1904 69.417  3.6594 6.357155       5.563335 
1 1 1 28 16 10 o 123.237 2.0609 152.199  3.4470  124.321 3.3435 122.152 2.4104 2.169220       4.121794 
1 1 1 28 16 12 o 72.339  2.9615 53.979   2.8123  68.796  5.0351 75.882  3.1194 -7.085983      5.923076 
1 1 1 28 16 14 o 48.265  4.5462 23.418   3.0106  52.935  6.9800 43.595  5.8269 9.340401       9.092455 
1 1 1 28 16 16 o 98.486  2.6066 99.281   3.4658  95.494  4.2924 101.477 2.9584 -5.982491      5.213127 
1 1 1 28 16 18 o 63.850  3.1471 41.386   2.7712  65.281  4.9524 62.418  3.8847 2.862904       6.294235 
1 1 1 28 16 20 o 73.602  3.2682 56.305   3.0756  71.458  5.6555 75.747  3.2773 -4.289520      6.536448 
1 1 1 28 16 22 o 33.503  6.0817 12.499   2.6408  35.957  10.153 31.049  6.6987 4.908609       12.16331 
1 1 1 28 16 24 f 33.547  5.9150 14.050   2.9760  25.363  10.528 41.731  5.3954 -16.36821      11.83003 
1 1 1 28 16 26 o 18.598  5.8160 1.1546   2.7179  20.625  9.2307 16.572  7.0780 4.053070       11.63200 
1 1 1 28 16 28 o 33.746  6.7613 15.384   3.1379  34.508  11.241 32.983  7.5164 1.524651       13.52257 
1 1 1 28 16 30 o 13.681  4.7954 -7.6002  2.9201  16.307  7.8599 11.054  5.4958 5.253598       9.590708 
1 1 1 28 17 1  o 143.109 1.8829 205.754  3.8095  143.180 2.7015 143.039 2.6235 0.1411591      3.765765 
1 1 1 28 17 3  o 40.976  4.2939 17.223   2.4811  39.967  6.3559 41.985  5.7753 -2.018333      8.587831 
1 1 1 28 17 5  o 58.626  3.3630 34.870   2.6545  58.479  5.5285 58.774  3.8309 -0.2955437     6.726090 
1 1 1 28 17 7  o 95.384  2.3633 90.729   3.0063  97.607  3.9038 93.161  2.6647 4.446228       4.726533 
1 1 1 28 17 9  o 39.155  5.0581 15.386   2.6509  48.833  6.8570 29.478  7.4377 19.35473       10.11625 
1 1 1 28 17 11 o 46.683  4.2862 22.692   2.7411  44.139  6.9322 49.227  5.0429 -5.087936      8.572416 
1 1 1 28 17 13 o 28.411  6.0657 7.5806   2.8329  37.291  9.1829 19.531  7.9275 17.75955       12.13143 
1 1 1 28 17 15 o 79.784  3.0634 63.355   3.0751  82.915  5.2917 76.654  3.0879 6.261459       6.126822 
1 1 1 28 17 17 o 94.618  2.7164 89.379   3.3410  98.294  4.5813 90.942  2.9202 7.352531       5.432836 
1 1 1 28 17 19 o 119.830 2.5332 145.102  3.7546  120.730 4.4472 118.930 2.4272 1.800392       5.066429 
1 1 1 28 17 21 o 132.596 2.4866 178.239  4.2970  134.415 4.2092 130.776 2.6488 3.639801       4.973227 
1 1 1 28 17 23 o 74.731  3.9531 60.017   3.4122  72.280  7.1886 77.182  3.2912 -4.902290      7.906208 
1 1 1 28 17 25 o 27.278  5.9160 9.0557   2.8990  21.530  9.6328 33.025  6.8705 -11.49450      11.83195 
1 1 1 28 17 27 o 24.929  6.1199 7.9009   2.7375  22.604  9.6169 27.254  7.5714 -4.649414      12.23971 
1 1 1 28 17 29 o 20.315  6.4899 3.3311   3.3997  23.764  10.600 16.865  7.4911 6.898449       12.97973 
1 1 1 28 18 0  o 227.388 2.9971 518.782  13.625  227.388 2.9971 ?       ?      0.000000       0.000000 
1 1 1 28 18 2  o 159.008 1.8998 253.947  4.2714  160.741 2.6937 157.275 2.6797 3.465881       3.799583 
1 1 1 28 18 4  o 28.080  5.9872 8.3185   2.6240  30.666  8.1443 25.494  8.7781 5.171732       11.97434 
1 1 1 28 18 6  o 69.908  2.6424 49.428   2.5774  70.506  3.3572 69.310  4.0815 1.196190       5.284807 
1 1 1 28 18 8  o 42.693  4.4043 18.557   2.5942  44.526  6.8720 40.860  5.5105 3.666313       8.808508 
1 1 1 28 18 10 o 18.226  5.7820 -1.6935  2.8438  19.827  9.0571 16.625  7.1900 3.201944       11.56405 
1 1 1 28 18 12 o 47.219  3.9066 22.089   2.4869  52.790  6.1243 41.649  4.8516 11.14064       7.813158 
1 1 1 28 18 14 o 74.815  3.1811 56.977   3.0470  74.898  5.4728 74.732  3.2446 0.1652679      6.362286 
1 1 1 28 18 16 o 60.863  4.0074 38.938   2.8990  59.312  7.2030 62.414  3.5150 -3.102325      8.014844 
1 1 1 28 18 18 o 69.334  3.2770 48.613   3.0666  73.274  5.2789 65.395  3.8844 7.878983       6.554056 
1 1 1 28 18 20 o 49.650  4.7037 24.859   2.8856  55.060  8.0737 44.241  4.8284 10.81937       9.407345 
1 1 1 28 18 22 o 46.059  5.5366 24.668   3.1085  43.171  9.8434 48.946  5.0719 -5.774738      11.07323 
1 1 1 28 18 24 o 19.970  6.0438 1.7539   3.0937  19.184  8.9764 20.756  8.0952 -1.571959      12.08756 
1 1 1 28 18 26 o 22.455  6.2816 5.8598   2.8145  23.507  9.7457 21.403  7.9280 2.103844       12.56317 
1 1 1 28 18 28 o 52.298  5.5177 32.812   3.0275  52.609  10.242 51.986  4.1090 0.6232338      11.03535 
1 1 1 28 19 1  o 41.192  4.3166 17.405   2.5031  38.177  6.2002 44.207  6.0074 -6.029953      8.633143 
1 1 1 28 19 3  o 58.975  3.1562 35.370   2.6240  59.984  4.2348 57.966  4.6811 2.018330       6.312375 
1 1 1 28 19 5  o 33.482  5.5105 12.177   2.5662  36.083  7.5986 30.881  7.9827 5.202183       11.02103 
1 1 1 28 19 7  o 68.255  2.7660 47.285   2.6356  68.842  3.5222 67.667  4.2659 1.175476       5.532072 
1 1 1 28 19 9  o 94.369  2.6415 91.410   3.1698  91.907  4.5855 96.830  2.6234 -4.922592      5.282929 
1 1 1 28 19 11 o 97.369  2.6662 96.161   3.4861  97.177  4.3963 97.561  3.0180 -0.3838501     5.332492 
1 1 1 28 19 13 o 65.200  3.0631 43.179   2.7994  68.978  4.5196 61.423  4.1356 7.555412       6.126204 
1 1 1 28 19 15 o 97.603  2.6599 94.749   3.2433  101.293 4.6166 93.913  2.6434 7.379974       5.319828 
1 1 1 28 19 17 o 57.428  4.1607 34.094   3.0784  59.613  7.0697 55.244  4.3892 4.368263       8.321420 
1 1 1 28 19 19 o 64.446  3.8372 40.583   3.2293  76.536  6.0345 52.356  4.7415 24.17982       7.674489 
1 1 1 28 19 21 o 53.822  6.3453 38.229   3.5016  42.790  12.042 64.854  4.0058 -22.06411      12.69060 
1 1 1 28 19 23 o 40.375  6.4213 20.854   3.5198  39.524  10.168 41.225  7.8448 -1.701355      12.84269 
1 1 1 28 19 25 o 47.602  5.0252 27.231   2.9882  44.266  8.7898 50.939  4.8735 -6.673031      10.05042 
1 1 1 28 19 27 o 17.625  5.3685 -3.0742  3.1859  13.620  6.8733 21.629  8.2486 -8.008858      10.73694 
1 1 1 28 20 0  o 20.540  10.437 6.5815   5.3114  20.540  10.437 ?       ?      0.000000       0.000000 
1 1 1 28 20 2  o 81.840  2.4799 67.984   2.8575  86.802  3.3255 76.877  3.6798 9.925797       4.959804 
1 1 1 28 20 4  o 100.253 2.1144 100.496  2.9621  105.699 3.1679 94.807  2.8012 10.89175       4.228751 
1 1 1 28 20 6  o 123.813 1.9942 154.357  3.4868  126.778 2.8689 120.848 2.7708 5.929771       3.988480 
1 1 1 28 20 8  o 119.004 1.9241 142.880  3.2320  121.567 2.6120 116.440 2.8261 5.126503       3.848283 
1 1 1 28 20 10 o 85.480  2.9528 74.578   3.1709  85.257  5.1464 85.703  2.8966 -0.4459152     5.905566 
1 1 1 28 20 12 o 55.745  4.2571 31.175   2.9251  59.237  7.4070 52.254  4.1984 6.982979       8.514109 
1 1 1 28 20 14 o 29.166  6.7586 9.4227   3.1800  27.417  11.018 30.915  7.8309 -3.497746      13.51723 
1 1 1 28 20 16 o 57.004  4.3157 34.614   3.0463  56.235  7.5970 57.772  4.0972 -1.537121      8.631398 
1 1 1 28 20 18 o 61.331  3.7845 38.376   3.0164  65.709  6.3259 56.954  4.1560 8.755413       7.569034 
1 1 1 28 20 20 o 20.331  6.3680 1.4032   2.8886  26.509  10.966 14.153  6.4777 12.35600       12.73595 
1 1 1 28 20 22 o 24.812  7.1990 6.9370   3.7580  27.825  11.371 21.800  8.8320 6.025778       14.39791 
1 1 1 28 20 24 f 21.022  6.3610 3.5412   3.2057  21.410  9.8852 20.633  8.0083 0.7774982      12.72197 
1 1 1 28 20 26 o 22.440  6.2849 6.4891   3.1522  20.473  9.4378 24.407  8.3022 -3.934498      12.56973 
1 1 1 28 21 1  o 55.011  3.2746 30.836   2.5284  60.225  4.5055 49.798  4.7533 10.42714       6.549249 
1 1 1 28 21 3  o 56.708  3.6015 32.984   2.8762  60.579  5.0509 52.838  5.1354 7.741459       7.203071 
1 1 1 28 21 5  o 54.582  3.2994 30.656   2.5402  56.856  4.4678 52.308  4.8563 4.548176       6.598835 
1 1 1 28 21 7  o 23.040  5.2234 3.4857   2.4506  31.699  8.0066 14.380  6.7103 17.31862       10.44671 
1 1 1 28 21 9  o 55.622  3.3433 31.882   2.6265  54.462  4.8762 56.782  4.5753 -2.319695      6.686629 
1 1 1 28 21 11 o 42.555  6.2454 19.571   3.1936  44.686  11.033 40.425  5.8554 4.260979       12.49079 
1 1 1 28 21 13 o 21.602  5.8424 2.0259   2.9391  17.787  8.4340 25.417  8.0871 -7.629709      11.68473 
1 1 1 28 21 15 o 51.280  4.8918 27.738   3.1166  53.633  8.5039 48.928  4.8377 4.704075       9.783649 
1 1 1 28 21 17 o 17.787  5.6697 -3.3224  3.2069  16.632  8.1902 18.942  7.8424 -2.310574      11.33939 
1 1 1 28 21 19 o 23.372  6.8204 5.5112   3.3973  24.750  10.729 21.995  8.4236 2.754583       13.64080 
1 1 1 28 21 21 o 25.888  6.3533 8.0261   3.1417  22.213  10.198 29.563  7.5804 -7.350817      12.70666 
1 1 1 28 21 23 f 24.112  6.7100 6.7911   3.3475  29.068  10.573 19.156  8.2655 9.912390       13.41997 
1 1 1 28 21 25 o 19.032  5.9391 2.2550   3.1030  18.969  8.9540 19.094  7.8049 -0.1250019     11.87811 
1 1 1 28 22 0  o 61.292  4.7664 38.796   5.7732  61.292  4.7664 ?       ?      0.000000       0.000000 
1 1 1 28 22 2  o 57.204  3.2880 33.815   2.6240  63.711  4.2589 50.697  5.0106 13.01464       6.576090 
1 1 1 28 22 4  o 46.788  4.0076 23.134   2.5967  51.582  4.9246 41.994  6.3239 9.587814       8.015196 
1 1 1 28 22 6  o 41.079  4.2742 17.760   2.4771  40.619  5.8274 41.539  6.2543 -0.9199219     8.548331 
1 1 1 28 22 8  o 46.313  4.1871 22.688   2.7420  46.347  5.9791 46.279  5.8632 0.6830978E-01  8.374140 
1 1 1 28 22 10 o 41.076  4.9609 18.622   2.7997  37.776  7.6028 44.375  6.3749 -6.598690      9.921793 
1 1 1 28 22 12 o 48.279  4.6234 24.573   2.9809  51.356  7.5318 45.201  5.3644 6.155243       9.246887 
1 1 1 28 22 14 o 43.969  5.6181 20.915   3.0892  48.559  9.4932 39.379  6.0109 9.180008       11.23617 
1 1 1 28 22 16 o 39.854  5.6860 17.897   2.7712  45.161  9.5036 34.546  6.2452 10.61536       11.37194 
1 1 1 28 22 18 o 54.666  4.0451 31.883   3.0296  61.191  6.1326 48.141  5.2766 13.04979       8.090184 
1 1 1 28 22 20 o 37.868  6.3585 18.983   3.2311  35.686  10.938 40.049  6.4869 -4.363106      12.71697 
1 1 1 28 22 22 o 19.525  5.9813 3.0021   2.9097  21.088  9.1905 17.963  7.6577 3.125854       11.96265 
1 1 1 28 22 24 o 21.101  6.2887 4.3313   3.0952  20.976  9.8405 21.226  7.8330 -0.2495728     12.57745 
1 1 1 28 23 1  o 43.366  4.4674 20.000   2.7274  41.256  6.1572 45.477  6.4744 -4.220840      8.934752 
1 1 1 28 23 3  o 21.999  6.1621 3.9421   2.8435  22.159  8.9417 21.840  8.4813 0.3190212      12.32423 
1 1 1 28 23 5  o 20.020  5.7778 2.5915   2.5659  19.790  7.8492 20.250  8.4806 -0.4593620     11.55560 
1 1 1 28 23 7  o 26.645  6.2692 7.5525   3.0307  32.313  8.9756 20.977  8.7549 11.33533       12.53833 
1 1 1 28 23 9  o 47.281  4.1467 23.906   2.7699  47.593  5.7013 46.969  6.0229 0.6245384      8.293362 
1 1 1 28 23 11 o 50.764  3.6996 27.335   2.6544  49.467  5.2519 52.061  5.2120 -2.594318      7.399134 
1 1 1 28 23 13 o 48.679  5.6967 28.254   3.4748  46.789  9.9255 50.569  5.5942 -3.779377      11.39339 
1 1 1 28 23 15 o 52.693  5.1830 30.942   3.4111  55.333  8.9729 50.053  5.1904 5.280033       10.36598 
1 1 1 28 23 17 o 70.283  3.0931 52.017   2.8145  71.294  5.2636 69.272  3.2503 2.021439       6.186269 
1 1 1 28 23 19 o 42.749  5.9884 22.263   3.1662  44.601  10.406 40.896  5.9290 3.704952       11.97676 
1 1 1 28 23 21 o 28.221  5.7444 11.487   3.0146  20.201  9.1571 36.240  6.9382 -16.03950      11.48876 
1 1 1 28 24 0  o 11.120  7.7438 -3.9258  5.8887  11.120  7.7438 ?       ?      0.000000       0.000000 
1 1 1 28 24 2  o 60.477  3.5450 38.434   3.0307  61.784  4.9524 59.170  5.0737 2.614422       7.090015 
1 1 1 28 24 4  o 61.628  3.1480 39.778   2.7134  66.921  4.0547 56.335  4.8165 10.58565       6.295973 
1 1 1 28 24 6  o 15.370  5.0854 -4.2481  2.7663  16.950  7.7164 13.791  6.6260 3.159250       10.17087 
1 1 1 28 24 8  o 52.453  3.9978 30.068   2.9015  55.772  4.8652 49.133  6.3451 6.638725       7.995645 
1 1 1 28 24 10 o 83.020  2.7039 71.932   3.1711  84.831  3.8792 81.208  3.7679 3.623550       5.407837 
1 1 1 28 24 12 o 42.880  4.9527 21.383   2.9152  39.950  7.6428 45.810  6.3013 -5.859959      9.905434 
1 1 1 28 24 14 o 51.435  4.9234 30.604   3.3666  50.481  8.2342 52.390  5.3997 -1.908104      9.846742 
1 1 1 28 24 16 o 25.299  6.6506 8.2986   3.2777  23.375  10.270 27.223  8.4528 -3.848417      13.30120 
1 1 1 28 24 18 o 36.904  6.1384 18.811   3.0922  31.402  10.791 42.407  5.8540 -11.00461      12.27680 
1 1 1 28 24 20 o 47.570  5.7906 29.677   3.2006  42.842  10.564 52.299  4.7467 -9.456764      11.58125 
1 1 1 28 25 1  o 58.699  3.5471 37.006   2.9443  58.354  5.0456 59.043  4.9868 -0.6884766     7.094110 
1 1 1 28 25 3  o 82.808  2.7303 71.977   3.1711  86.533  3.5360 79.084  4.1611 7.448479       5.460573 
1 1 1 28 25 5  o 53.858  4.1391 32.278   3.0863  61.154  5.1923 46.562  6.4475 14.59158       8.278298 
1 1 1 28 25 7  o 27.718  6.3666 9.7166   3.0307  22.662  8.9617 32.775  9.0454 -10.11260      12.73312 
1 1 1 28 25 9  o 20.312  5.8896 2.5884   2.9258  22.964  8.5141 17.660  8.1399 5.304232       11.77913 
1 1 1 28 25 11 o 23.088  6.2021 6.4005   2.7997  22.235  8.6578 23.941  8.8828 -1.706345      12.40410 
1 1 1 28 25 13 o 17.441  5.5665 -0.0974  2.9432  16.969  7.7741 17.914  7.9691 -0.9459820     11.13296 
1 1 1 28 25 15 o 26.537  7.4921 10.142   4.0365  29.184  11.621 23.891  9.4593 5.292814       14.98419 
1 1 1 28 25 17 o 19.458  6.2544 1.9592   3.2777  24.465  10.504 14.452  6.7932 10.01360       12.50885 
1 1 1 28 26 0  o 58.871  5.7902 37.411   6.6969  58.871  5.7902 ?       ?      0.000000       0.000000 
1 1 1 28 26 2  o 61.355  3.2663 40.205   2.8242  61.993  4.3769 60.716  4.8494 1.277489       6.532538 
1 1 1 28 26 4  o 32.301  6.2977 13.640   2.9477  33.284  7.9112 31.319  9.8009 1.964624       12.59544 
1 1 1 28 26 6  o 18.293  5.5575 1.1669   2.7122  20.762  8.3500 15.824  7.3362 4.937533       11.11498 
1 1 1 28 26 8  o 25.618  5.6876 7.7962   2.8450  32.969  7.8141 18.266  8.2664 14.70292       11.37517 
1 1 1 28 26 10 o 35.024  6.1696 16.311   3.0587  37.335  8.2607 32.713  9.1662 4.622025       12.33929 
1 1 1 28 26 12 o 23.986  6.1302 7.4427   2.7699  21.039  8.5549 26.934  8.7824 -5.895353      12.26038 
1 1 1 28 26 14 f 16.053  5.3712 -2.4784  3.2237  16.238  7.5972 15.868  7.5948 0.3697577      10.74236 
1 1 1 28 27 1  o 52.588  4.4215 31.965   3.2289  56.974  5.4719 48.202  6.9467 8.771347       8.843014 
1 1 1 28 27 3  o 36.332  6.0914 17.260   3.0755  38.079  8.8099 34.585  8.4147 3.493855       12.18282 
1 1 1 28 27 5  o 24.326  6.3550 7.6504   2.9083  22.378  8.6692 26.274  9.2945 -3.896019      12.70994 
1 1 1 28 27 7  o 16.330  5.2578 -1.5963  2.7926  18.237  7.8992 14.423  6.9411 3.814234       10.51556 
1 1 1 28 27 9  o 20.889  6.1080 5.1597   2.9398  19.974  8.3817 21.804  8.8868 -1.830309      12.21591 
1 1 1 28 27 11 o 36.284  6.2726 18.973   3.2616  41.679  8.0440 30.889  9.6267 10.78976       12.54513 
1 1 1 28 28 0  o 19.166  11.053 7.5052   6.6969  19.166  11.053 ?       ?      0.000000       0.000000 
1 1 1 28 28 2  o 34.256  6.3656 17.141   3.1334  32.436  9.6324 36.076  8.3248 -3.639435      12.73128 
1 1 1 28 28 4  o 33.809  6.1219 16.204   2.9432  32.691  8.6818 34.927  8.6334 -2.235977      12.24377 
1 1 1 28 28 6  o 22.842  6.3219 7.2093   2.9729  22.085  8.8295 23.599  9.0502 -1.513479      12.64377 
1 1 1 29 1  0  o 12.565  8.1944 -0.1155  4.8495  12.565  8.1944 ?       ?      0.000000       0.000000 
1 1 1 29 1  2  o 115.735 1.8192 134.350  2.9729  118.630 2.4820 112.839 2.6605 5.790764       3.638448 
1 1 1 29 1  4  o 127.657 2.0430 162.872  3.6003  129.108 3.2196 126.206 2.5160 2.902794       4.086025 
1 1 1 29 1  6  o 34.701  5.4105 12.024   2.3811  30.804  6.2152 38.598  8.8580 -7.794353      10.82096 
1 1 1 29 1  8  o 100.280 2.6730 97.981   3.3834  94.985  2.7351 105.575 4.5934 -10.59035      5.346081 
1 1 1 29 1  10 o 138.954 1.9882 196.073  3.7229  144.381 2.2392 133.528 3.2859 10.85246       3.976373 
1 1 1 29 1  12 o 30.148  6.1042 9.3526   2.6326  28.265  7.5970 32.030  9.5566 -3.765844      12.20836 
1 1 1 29 1  14 o 45.932  4.2992 21.432   2.5648  46.150  4.5035 45.715  7.3247 0.4353333      8.598448 
1 1 1 29 1  16 o 98.997  2.2698 99.490   3.0652  102.499 2.6472 95.494  3.6878 7.005058       4.539601 
1 1 1 29 1  18 o 86.125  2.7125 75.213   3.1299  87.525  3.0342 84.726  4.4972 2.798676       5.425088 
1 1 1 29 1  20 o 51.383  4.1329 27.372   2.9342  55.381  5.0038 47.385  6.5791 7.995514       8.265779 
1 1 1 29 1  22 o 24.417  7.1069 1.8680   3.3408  16.393  7.2977 32.441  12.197 -16.04789      14.21383 
1 1 1 29 1  24 f 41.188  5.3309 18.223   2.8922  42.597  5.8278 39.779  8.9282 2.818512       10.66187 
1 1 1 29 1  26 o 37.153  6.8591 15.855   3.5650  38.596  8.0427 35.711  11.113 2.885269       13.71828 
1 1 1 29 1  28 o 17.494  5.5603 -2.8909  3.0106  18.677  7.8948 16.312  7.8320 2.364977       11.12060 
1 1 1 29 1  30 o 30.437  6.8602 10.929   3.2489  26.302  8.8754 34.573  10.463 -8.270361      13.72036 
1 1 1 29 1  32 o 46.845  4.2387 24.270   2.7640  46.018  5.3946 47.672  6.5396 -1.654114      8.477501 
1 1 1 29 1  34 o 22.751  6.4023 6.1645   3.1079  23.411  8.9672 22.092  9.1406 1.319546       12.80469 
1 1 1 29 1  36 o 17.523  5.7028 -0.8580  3.3475  19.456  8.5984 15.589  7.4935 3.866626       11.40555 
1 1 1 29 2  1  o 113.432 1.8352 128.723  2.9398  109.318 2.5878 117.546 2.6031 -8.227753      3.670489 
1 1 1 29 2  3  o 91.517  2.0091 84.001   2.5980  89.278  2.9100 93.757  2.7710 -4.478943      4.018223 
1 1 1 29 2  5  o 66.154  2.6034 43.929   2.4028  66.173  4.0132 66.135  3.3172 0.3849792E-01  5.206726 
1 1 1 29 2  7  o 86.764  2.3530 75.514   2.8855  86.769  3.2602 86.759  3.3937 0.1077271E-01  4.705999 
1 1 1 29 2  9  o 139.580 2.2082 195.825  4.1193  140.518 2.4651 138.642 3.6644 1.876312       4.416435 
1 1 1 29 2  11 o 49.151  4.5495 24.444   2.7668  49.210  4.3407 49.091  7.9969 0.1190529      9.099044 
1 1 1 29 2  13 o 122.896 2.2430 153.929  3.5785  127.055 2.3174 118.737 3.8412 8.318420       4.486056 
1 1 1 29 2  15 o 64.142  3.3403 42.589   2.8512  68.686  3.6143 59.598  5.6185 9.088459       6.680578 
1 1 1 29 2  17 o 87.987  2.4902 79.541   2.9477  93.606  2.7754 82.368  4.1354 11.23764       4.980377 
1 1 1 29 2  19 o 53.259  3.5721 29.057   2.6356  55.392  4.3774 51.125  5.6461 4.266811       7.144277 
1 1 1 29 2  21 o 51.146  5.1998 30.042   3.0666  60.832  4.1758 41.460  9.5244 19.37161       10.39958 
1 1 1 29 2  23 o 69.947  3.3336 48.659   3.1449  65.663  3.9565 74.231  5.3664 -8.567741      6.667264 
1 1 1 29 2  25 o 57.281  5.6798 34.856   3.7202  57.473  4.8217 57.090  10.286 0.3823547      11.35966 
1 1 1 29 2  27 o 27.458  6.3226 7.9799   2.9080  30.162  7.6434 24.754  10.074 5.407417       12.64527 
1 1 1 29 2  29 o 40.440  5.8538 18.866   3.2165  40.626  7.6696 40.253  8.8456 0.3737106      11.70756 
1 1 1 29 2  31 o 20.904  6.1045 3.2835   2.9707  22.291  8.7963 19.518  8.4668 2.772900       12.20905 
1 1 1 29 2  33 o 24.952  6.4408 7.2446   3.1250  19.422  8.3200 30.482  9.8342 -11.05923      12.88150 
1 1 1 29 2  35 o 30.364  6.8408 14.037   3.5065  34.946  9.2645 25.782  10.068 9.164003       13.68166 
1 1 1 29 3  0  o 12.260  8.1100 -0.6928  4.9650  12.260  8.1100 ?       ?      0.000000       0.000000 
1 1 1 29 3  2  o 67.991  2.6518 46.549   2.5389  65.565  3.9624 70.417  3.5254 -4.852509      5.303694 
1 1 1 29 3  4  o 51.334  3.3236 26.624   2.3955  55.267  4.3874 47.402  4.9935 7.864655       6.647111 
1 1 1 29 3  6  o 173.909 1.8545 303.037  4.5609  174.723 2.6103 173.096 2.6349 1.626617       3.708963 
1 1 1 29 3  8  o 189.692 1.7540 360.439  4.7050  187.929 2.4883 191.456 2.4727 -3.526428      3.507977 
1 1 1 29 3  10 o 136.640 1.9435 187.246  3.7517  134.776 2.8272 138.504 2.6677 -3.727753      3.887080 
1 1 1 29 3  12 o 45.245  5.1169 20.854   3.1602  39.189  7.4864 51.300  6.9774 -12.11140      10.23378 
1 1 1 29 3  14 o 81.977  2.7914 67.310   3.0241  81.106  3.0608 82.848  4.6689 -1.742165      5.582710 
1 1 1 29 3  16 o 121.980 2.3704 150.037  3.8826  122.999 2.6754 120.961 3.9137 2.038483       4.740767 
1 1 1 29 3  18 o 36.000  5.8909 14.130   2.8145  39.388  5.7164 32.613  10.302 6.775154       11.78181 
1 1 1 29 3  20 o 99.161  2.4906 99.042   3.4024  98.946  3.0341 99.376  3.9504 -0.4299774     4.981109 
1 1 1 29 3  22 o 130.025 2.3414 171.289  4.0808  132.065 2.6229 127.986 3.8793 4.079590       4.682816 
1 1 1 29 3  24 o 54.863  4.3629 30.260   3.0937  51.637  4.6958 58.089  7.3546 -6.452080      8.725883 
1 1 1 29 3  26 o 17.723  5.5024 -2.8555  2.9477  20.347  8.2274 15.100  7.3086 5.246534       11.00474 
1 1 1 29 3  28 o 21.097  6.0972 0.0242   3.2706  23.673  8.2838 18.521  8.9489 5.151760       12.19445 
1 1 1 29 3  30 o 35.275  6.1743 15.067   3.0908  38.923  7.5369 31.627  9.7817 7.296297       12.34852 
1 1 1 29 3  32 o 17.395  5.7727 -3.9568  3.2835  12.921  6.3158 21.870  9.6648 -8.949544      11.54545 
1 1 1 29 3  34 o 29.971  6.6839 12.619   3.1670  31.045  8.6235 28.898  10.214 2.146843       13.36786 
1 1 1 29 3  36 o 21.356  6.5009 4.9509   3.5315  20.428  8.8199 22.285  9.5529 -1.856474      13.00186 
1 1 1 29 4  1  o 199.309 1.8741 397.974  5.2811  200.678 2.6755 197.939 2.6250 2.738510       3.748180 
1 1 1 29 4  3  o 148.724 1.8129 221.444  3.8068  142.133 2.5996 155.314 2.5276 -13.18132      3.625854 
1 1 1 29 4  5  o 131.749 1.9376 173.985  3.6062  131.150 2.8173 132.347 2.6609 -1.196487      3.875256 
1 1 1 29 4  7  o 166.104 1.8310 276.425  4.3009  165.998 2.6084 166.211 2.5703 -0.2126923     3.662037 
1 1 1 29 4  9  o 143.998 1.9570 207.883  3.9827  142.870 2.8286 145.125 2.7051 -2.254639      3.913911 
1 1 1 29 4  11 o 87.195  2.2943 76.247   2.8242  88.241  3.3367 86.148  3.1497 2.092369       4.588501 
1 1 1 29 4  13 o 70.389  2.8197 50.332   2.7699  75.934  3.5734 64.843  4.3627 11.09132       5.639311 
1 1 1 29 4  15 o 157.055 2.0529 247.220  4.5492  160.589 2.9839 153.522 2.8204 7.067093       4.105870 
1 1 1 29 4  17 o 171.554 2.2040 296.620  5.0064  172.715 2.4067 170.394 3.6931 2.320969       4.408085 
1 1 1 29 4  19 o 65.782  3.4136 43.921   2.9201  65.961  3.5885 65.604  5.8081 0.3572006      6.827249 
1 1 1 29 4  21 o 35.349  6.3002 13.671   3.1238  37.104  7.7237 33.594  9.9556 3.510540       12.60036 
1 1 1 29 4  23 o 92.898  2.6607 87.393   3.2408  93.370  2.8443 92.425  4.4974 0.9446640      5.321303 
1 1 1 29 4  25 o 54.843  4.6033 31.134   3.3854  54.036  5.2352 55.649  7.5733 -1.612877      9.206600 
1 1 1 29 4  27 o 23.382  6.4024 2.2306   3.0470  14.892  6.8880 31.871  10.794 -16.97910      12.80478 
1 1 1 29 4  29 o 45.295  6.3263 25.117   3.7435  53.251  6.0712 37.338  11.101 15.91325       12.65250 
1 1 1 29 4  31 f 18.417  6.2411 -3.8242  3.7688  14.955  7.0489 21.879  10.301 -6.923385      12.48215 
1 1 1 29 4  33 o 18.565  5.7178 0.9072   2.9691  20.136  8.1947 16.995  7.9760 3.141239       11.43551 
1 1 1 29 4  35 o 15.738  5.3203 -3.6858  3.3173  15.699  7.4866 15.776  7.5612 -0.7614899E-01 10.64055 
1 1 1 29 5  0  o 346.525 3.8163 1203.72  26.441  346.525 3.8163 ?       ?      0.000000       0.000000 
1 1 1 29 5  2  o 226.090 1.9969 512.610  6.3762  223.768 2.9154 228.413 2.7297 -4.644867      3.993887 
1 1 1 29 5  4  f 228.296 1.7882 522.095  5.7727  227.516 2.5121 229.076 2.5454 -1.559708      3.576304 
1 1 1 29 5  6  o 316.505 2.5965 1005.56  11.569  316.322 3.8692 316.689 3.4637 -0.3670044     5.193092 
1 1 1 29 5  8  o 261.933 2.1600 688.190  7.9908  263.417 2.9588 260.449 3.1476 2.967804       4.319932 
1 1 1 29 5  10 o 102.308 1.9836 105.290  2.8551  105.815 2.6189 98.801  2.9801 7.013985       3.967294 
1 1 1 29 5  12 o 88.396  2.4384 78.829   3.0307  93.298  3.2177 83.493  3.6647 9.804611       4.876889 
1 1 1 29 5  14 o 98.366  2.2714 97.128   3.1144  98.789  3.5064 97.943  2.8883 0.8454742      4.542809 
1 1 1 29 5  16 o 43.732  4.1792 19.516   2.5662  47.533  5.5870 39.932  6.2169 7.601410       8.358479 
1 1 1 29 5  18 o 66.945  2.9870 45.585   2.7997  72.844  3.8835 61.045  4.5395 11.79922       5.973969 
1 1 1 29 5  20 o 22.086  6.4622 0.9276   3.3817  18.058  8.1476 26.114  10.033 -8.055971      12.92440 
1 1 1 29 5  22 o 55.327  4.0109 30.724   3.0508  51.134  5.0806 59.519  6.2079 -8.384361      8.021896 
1 1 1 29 5  24 o 49.199  5.2456 26.437   3.3269  53.001  5.4464 45.398  8.9667 7.603031       10.49119 
1 1 1 29 5  26 o 41.655  6.0364 19.530   3.3068  43.916  6.3101 39.393  10.293 4.523399       12.07285 
1 1 1 29 5  28 o 78.971  3.2015 65.507   3.3677  82.632  3.4934 75.311  5.3661 7.321068       6.403027 
1 1 1 29 5  30 o 31.465  6.6024 12.387   3.3013  35.782  7.7996 27.149  10.655 8.633488       13.20484 
1 1 1 29 5  32 o 36.572  7.0637 18.313   3.7885  39.220  9.1400 33.923  10.772 5.296482       14.12737 
1 1 1 29 5  34 f 28.558  7.3773 11.808   4.1559  23.099  9.9053 34.018  10.935 -10.91866      14.75452 
1 1 1 29 6  1  o 179.304 1.7081 322.089  4.3299  176.744 2.4498 181.864 2.3809 -5.119461      3.416155 
1 1 1 29 6  3  o 117.442 1.8980 138.312  3.1398  116.497 2.8247 118.387 2.5358 -1.889542      3.795993 
1 1 1 29 6  5  o 120.827 1.9134 146.351  3.2494  121.225 2.5241 120.430 2.8763 0.7951508      3.826774 
1 1 1 29 6  7  o 176.493 1.8860 312.160  4.7008  176.465 2.7481 176.520 2.5838 -0.5572510E-01 3.772015 
1 1 1 29 6  9  o 102.467 2.0894 104.703  3.0087  107.173 3.0705 97.761  2.8346 9.412621       4.178878 
1 1 1 29 6  11 o 178.423 1.9606 319.851  4.9346  183.270 2.6461 173.576 2.8937 9.693756       3.921121 
1 1 1 29 6  13 o 184.267 1.9604 340.457  5.1052  188.589 2.7858 179.946 2.7591 8.642532       3.920891 
1 1 1 29 6  15 o 74.387  2.6648 55.613   2.7926  79.403  3.7081 69.371  3.8282 10.03209       5.329690 
1 1 1 29 6  17 o 76.744  2.7667 59.464   3.0021  77.722  3.8626 75.766  3.9623 1.955902       5.533451 
1 1 1 29 6  19 o 28.063  6.1702 7.8726   2.8505  33.537  8.8296 22.588  8.6210 10.94878       12.34035 
1 1 1 29 6  21 o 27.374  6.1865 7.6102   2.8435  23.664  9.1215 31.085  8.3601 -7.421429      12.37308 
1 1 1 29 6  23 o 42.253  4.6830 18.539   2.7854  39.654  6.5516 44.852  6.6933 -5.198772      9.366089 
1 1 1 29 6  25 o 78.550  3.3032 62.689   3.5052  80.688  5.3663 76.412  3.8532 4.275177       6.606394 
1 1 1 29 6  27 o 56.674  4.9469 35.086   3.8543  61.812  5.8842 51.535  7.9538 10.27731       9.893779 
1 1 1 29 6  29 o 24.667  5.6660 5.7709   2.7535  18.404  8.3338 30.931  7.6786 -12.52663      11.33193 
1 1 1 29 6  31 o 30.863  6.4090 12.588   3.0903  27.106  10.133 34.621  7.8501 -7.515173      12.81796 
1 1 1 29 6  33 o 16.439  5.4304 -2.7487  3.1079  18.288  8.3023 14.591  7.0021 3.697565       10.86087 
1 1 1 29 6  35 o 23.342  6.5356 7.2659   3.0416  27.930  10.444 18.755  7.8601 9.175297       13.07128 
1 1 1 29 7  0  o 13.487  8.5476 0.9237   4.8495  13.487  8.5476 ?       ?      0.000000       0.000000 
1 1 1 29 7  2  o 17.088  5.1479 -0.5393  2.2713  18.707  7.5032 15.469  7.0502 3.238241       10.29583 
1 1 1 29 7  4  o 103.448 2.0162 107.273  2.9342  103.378 3.0157 103.518 2.6770 -0.1400681     4.032418 
1 1 1 29 7  6  o 254.933 2.0257 651.564  7.3030  255.044 2.8748 254.823 2.8546 0.2212982      4.051351 
1 1 1 29 7  8  o 192.708 1.8432 372.197  5.0201  193.387 2.6569 192.030 2.5555 1.356888       3.686427 
1 1 1 29 7  10 o 64.576  3.3822 42.078   3.0884  63.822  4.7943 65.331  4.7719 -1.508831      6.764351 
1 1 1 29 7  12 o 89.076  2.3826 79.653   2.9976  87.149  3.3123 91.003  3.4258 -3.853905      4.765204 
1 1 1 29 7  14 o 58.003  3.3693 34.224   2.7420  61.793  4.3912 54.214  5.1115 7.578644       6.738675 
1 1 1 29 7  16 o 30.683  6.2883 10.092   2.8820  30.250  8.6960 31.117  9.0857 -0.8665066     12.57654 
1 1 1 29 7  18 o 98.193  2.5155 97.198   3.4907  98.643  3.6286 97.743  3.4849 0.9003143      5.031031 
1 1 1 29 7  20 o 129.962 2.0939 169.710  3.8129  130.809 3.1777 129.114 2.7276 1.695053       4.187771 
1 1 1 29 7  22 o 49.691  4.3812 25.021   3.0107  53.670  6.6693 45.713  5.6832 7.957161       8.762325 
1 1 1 29 7  24 o 44.724  4.5176 19.615   2.6603  51.145  7.2243 38.302  5.4262 12.84223       9.035182 
1 1 1 29 7  26 o 57.199  3.9625 34.550   2.7997  55.225  7.0042 59.173  3.7075 -3.948620      7.924923 
1 1 1 29 7  28 o 64.282  4.1430 44.181   3.1431  62.616  7.4682 65.948  3.5892 -3.331715      8.285918 
1 1 1 29 7  30 o 22.025  6.3755 4.4936   2.7839  24.851  10.317 19.199  7.4933 5.652321       12.75106 
1 1 1 29 7  32 o 15.468  5.0617 -1.9090  2.5518  16.754  7.6854 14.182  6.5894 2.571611       10.12349 
1 1 1 29 7  34 o 31.653  6.2381 11.900   2.4647  41.527  10.320 21.779  7.0111 19.74730       12.47630 
1 1 1 29 8  1  o 81.415  2.3568 66.508   2.7134  80.848  3.3562 81.982  3.3098 -1.134575      4.713667 
1 1 1 29 8  3  o 125.137 1.9240 156.562  3.3974  130.174 2.7497 120.099 2.6919 10.07452       3.848048 
1 1 1 29 8  5  o 43.842  3.6782 19.391   2.2801  44.495  5.1900 43.188  5.2134 1.306854       7.356325 
1 1 1 29 8  7  o 46.177  4.1135 21.598   2.6842  45.546  5.9576 46.808  5.6736 -1.262581      8.226920 
1 1 1 29 8  9  o 114.851 2.6334 133.545  4.1504  117.818 3.1361 111.883 4.2313 5.935585       5.266737 
1 1 1 29 8  11 o 117.121 2.1511 137.851  3.5315  116.494 3.2708 117.748 2.7947 -1.254128      4.302198 
1 1 1 29 8  13 o 47.636  4.0238 23.206   2.6693  49.270  5.0385 46.001  6.2751 3.268864       8.047602 
1 1 1 29 8  15 o 19.681  5.8039 0.7268   2.7420  17.581  7.7838 21.781  8.6112 -4.200731      11.60780 
1 1 1 29 8  17 o 105.513 2.5263 111.898  3.6958  106.909 3.9421 104.116 3.1606 2.793228       5.052696 
1 1 1 29 8  19 o 153.090 2.1870 233.904  4.4020  155.710 3.6706 150.470 2.3788 5.240234       4.374026 
1 1 1 29 8  21 o 76.114  2.7139 58.102   2.7712  77.759  4.4547 74.470  3.1010 3.289513       5.427759 
1 1 1 29 8  23 o 78.703  2.7649 62.699   3.0064  79.642  4.3494 77.764  3.4151 1.878098       5.529898 
1 1 1 29 8  25 o 69.175  3.5888 49.642   3.2408  68.142  6.1001 70.208  3.7826 -2.065453      7.177654 
1 1 1 29 8  27 f 29.079  6.4866 8.8138   2.6942  36.195  10.533 21.964  7.5738 14.23123       12.97323 
1 1 1 29 8  29 o 35.889  5.9924 16.198   2.9695  29.582  10.591 42.196  5.6096 -12.61380      11.98470 
1 1 1 29 8  31 o 20.617  6.1167 3.4206   2.8145  22.586  9.5739 18.647  7.6155 3.939365       12.23332 
1 1 1 29 8  33 o 18.304  5.5096 2.3303   2.3513  19.395  8.5534 17.213  6.9471 2.181805       11.01920 
1 1 1 29 9  0  o 127.484 2.9925 163.036  7.6207  127.484 2.9925 ?       ?      0.000000       0.000000 
1 1 1 29 9  2  o 90.948  2.2976 83.799   2.9152  98.981  2.9163 82.915  3.5511 16.06646       4.595107 
1 1 1 29 9  4  o 204.485 1.7782 419.310  5.1356  206.387 2.4336 202.583 2.5933 3.804260       3.556389 
1 1 1 29 9  6  o 120.409 2.0364 145.562  3.4630  118.484 2.9723 122.333 2.7844 -3.848656      4.072726 
1 1 1 29 9  8  o 107.733 3.3179 117.732  4.4056  108.937 3.1268 106.530 5.8529 2.406998       6.635750 
1 1 1 29 9  10 o 40.245  4.5131 16.484   2.5662  41.224  6.4421 39.266  6.3222 1.957256       9.026118 
1 1 1 29 9  12 f 60.369  3.4155 36.879   2.9129  60.682  4.9472 60.057  4.7104 0.6256447      6.830983 
1 1 1 29 9  14 o 89.365  2.8832 80.676   3.5415  89.150  4.5978 89.580  3.4802 -0.4298477     5.766426 
1 1 1 29 9  16 o 93.312  2.4397 87.802   3.0063  93.041  4.0953 93.583  2.6527 -0.5420914     4.879387 
1 1 1 29 9  18 o 118.328 2.3828 140.218  3.5889  119.406 4.1097 117.250 2.4127 2.156624       4.765588 
1 1 1 29 9  20 o 30.483  6.0983 10.024   2.6737  30.697  9.6388 30.270  7.4734 0.4273911      12.19661 
1 1 1 29 9  22 o 27.319  6.4524 7.6347   2.7949  27.090  10.474 27.548  7.5379 -0.4578972     12.90475 
1 1 1 29 9  24 o 33.330  5.3464 12.422   2.4367  30.230  9.0438 36.431  5.7049 -6.201450      10.69280 
1 1 1 29 9  26 o 25.451  6.2630 6.1312   2.7469  32.225  9.9419 18.678  7.6197 13.54635       12.52604 
1 1 1 29 9  28 o 29.875  6.4694 9.5965   2.7949  38.002  10.355 21.749  7.7585 16.25320       12.93886 
1 1 1 29 9  30 o 28.165  6.8845 10.265   3.1803  30.421  10.758 25.909  8.5935 4.512377       13.76892 
1 1 1 29 9  32 o 16.351  5.4651 -3.7788  3.2330  16.821  8.1955 15.881  7.2322 0.9397812      10.93025 
1 1 1 29 9  34 o 19.231  6.0071 2.4019   3.1299  19.429  9.1408 19.033  7.7966 0.3960457      12.01419 
1 1 1 29 10 1  o 44.467  4.0848 20.012   2.5662  43.773  5.6713 45.162  5.8803 -1.389553      8.169601 
1 1 1 29 10 3  o 23.518  5.9463 4.5913   2.5610  26.951  8.7824 20.085  8.0188 6.865641       11.89256 
1 1 1 29 10 5  o 142.028 1.8540 202.300  3.7235  142.316 2.5962 141.741 2.6475 0.5753326      3.708071 
1 1 1 29 10 7  o 113.856 3.5446 133.304  4.6161  116.952 2.9125 110.760 6.4633 6.191490       7.089238 
1 1 1 29 10 9  o 182.639 1.8331 334.674  4.7340  184.298 2.5687 180.979 2.6158 3.319077       3.666133 
1 1 1 29 10 11 o 24.483  6.2234 4.7270   2.7334  29.960  9.7562 19.006  7.7290 10.95436       12.44670 
1 1 1 29 10 13 o 59.895  3.3113 36.681   2.6739  58.137  5.4617 61.654  3.7456 -3.516960      6.622688 
1 1 1 29 10 15 o 149.459 2.2709 227.273  4.3581  146.011 3.9144 152.908 2.3031 -6.896881      4.541718 
1 1 1 29 10 17 o 149.274 2.2115 225.723  4.2359  147.016 3.8091 151.533 2.2478 -4.516556      4.422926 
1 1 1 29 10 19 o 99.230  2.3221 99.168   3.0895  99.426  3.8323 99.034  2.6233 0.3915787      4.644175 
1 1 1 29 10 21 o 67.178  3.3168 44.749   2.8770  71.215  5.5936 63.141  3.5659 8.074310       6.633581 
1 1 1 29 10 23 o 67.674  3.5785 45.889   2.9378  70.478  6.3075 64.869  3.3819 5.608360       7.156958 
1 1 1 29 10 25 o 18.454  5.6667 -0.2078  2.6326  22.527  9.2044 14.381  6.6124 8.146445       11.33336 
1 1 1 29 10 27 o 19.811  5.6812 2.7846   2.4489  20.359  8.4036 19.264  7.6473 1.094822       11.36233 
1 1 1 29 10 29 o 19.410  5.6488 2.9120   2.2814  20.394  8.9961 18.425  6.8342 1.968407       11.29757 
1 1 1 29 10 31 o 21.789  6.3369 5.0465   2.9237  23.660  9.9381 19.918  7.8652 3.741566       12.67387 
1 1 1 29 10 33 o 22.023  6.4571 6.4108   3.0121  23.982  10.229 20.065  7.8836 3.916632       12.91420 
1 1 1 29 11 0  o 154.618 2.5406 239.589  7.8516  154.618 2.5406 ?       ?      0.000000       0.000000 
1 1 1 29 11 2  o 99.470  2.0993 99.513   2.9398  97.453  3.1398 101.487 2.7874 -4.034149      4.198565 
1 1 1 29 11 4  o 124.147 1.9816 154.795  3.4399  123.483 3.0390 124.810 2.5441 -1.327057      3.963280 
1 1 1 29 11 6  o 112.789 3.2905 127.874  4.2661  112.394 2.7738 113.184 5.9679 -0.7894669     6.580993 
1 1 1 29 11 8  o 92.328  2.5839 85.409   3.2678  93.764  4.1253 90.891  3.1124 2.872482       5.167706 
1 1 1 29 11 10 o 89.609  2.3244 80.152   2.8123  91.507  3.7854 87.712  2.6986 3.795502       4.648882 
1 1 1 29 11 12 o 104.237 2.3158 108.717  3.1803  105.555 3.8833 102.919 2.5243 2.635605       4.631618 
1 1 1 29 11 14 o 105.973 2.2373 113.040  3.1682  105.843 3.7091 106.102 2.5030 -0.2590866     4.474596 
1 1 1 29 11 16 o 104.741 2.5141 114.084  3.2635  98.627  4.4487 110.855 2.3436 -12.22839      5.028274 
1 1 1 29 11 18 o 61.164  3.9416 40.416   2.9369  54.776  7.0616 67.551  3.5040 -12.77507      7.883148 
1 1 1 29 11 20 o 78.067  2.8655 60.782   2.8294  80.646  4.9395 75.489  2.9062 5.156975       5.731051 
1 1 1 29 11 22 o 81.598  2.9134 65.783   3.1245  87.508  4.8161 75.687  3.2799 11.82076       5.826886 
1 1 1 29 11 24 o 25.823  5.8033 6.6237   2.6812  21.191  9.4007 30.455  6.8075 -9.263536      11.60664 
1 1 1 29 11 26 o 21.492  6.3106 3.0021   3.0483  22.532  9.6024 20.451  8.1908 2.080732       12.62121 
1 1 1 29 11 28 o 19.461  5.9052 0.8551   3.1456  17.165  8.0861 21.756  8.6080 -4.591166      11.81031 
1 1 1 29 11 30 o 17.129  5.4731 -0.8106  2.7140  20.789  8.8935 13.470  6.3815 7.318828       10.94618 
1 1 1 29 11 32 o 24.024  6.2837 6.3462   2.8757  32.324  10.398 15.725  7.0576 16.59933       12.56734 
1 1 1 29 12 1  o 53.909  3.2287 29.571   2.4234  60.161  4.1264 47.656  4.9669 12.50514       6.457306 
1 1 1 29 12 3  o 109.380 2.0902 120.110  3.2320  111.641 2.9476 107.118 2.9643 4.522621       4.180349 
1 1 1 29 12 5  f 26.181  6.4862 4.7857   3.2543  18.690  8.2060 33.672  10.047 -14.98108      12.97242 
1 1 1 29 12 7  o 27.471  5.5552 7.4883   2.2980  33.873  8.2468 21.068  7.4452 12.80452       11.11037 
1 1 1 29 12 9  o 53.934  3.2228 29.424   2.3574  53.935  5.2450 53.934  3.7465 0.9269714E-03  6.445657 
1 1 1 29 12 11 o 19.532  5.7794 1.2403   2.4583  21.312  9.1213 17.751  7.1000 3.561052       11.55890 
1 1 1 29 12 13 o 54.648  3.7122 29.615   2.7035  58.067  6.0649 51.229  4.2824 6.837811       7.424418 
1 1 1 29 12 15 o 31.705  5.8836 10.811   2.5208  30.509  10.005 32.900  6.1935 -2.391333      11.76714 
1 1 1 29 12 17 o 22.205  6.5190 1.4990   3.1245  27.484  10.682 16.925  7.4755 10.55907       13.03801 
1 1 1 29 12 19 o 26.171  6.3308 6.8600   2.6896  26.282  10.169 26.060  7.5438 0.2223377      12.66161 
1 1 1 29 12 21 o 27.584  6.6561 7.7642   2.8555  27.939  11.047 27.228  7.4287 0.7111969      13.31229 
1 1 1 29 12 23 o 67.671  3.5925 47.074   3.0463  68.256  6.2591 67.087  3.5283 1.169205       7.185070 
1 1 1 29 12 25 o 18.914  5.6407 -1.3129  3.0106  15.536  7.5437 22.293  8.3882 -6.756847      11.28140 
1 1 1 29 12 27 f 55.325  5.2647 36.421   3.6054  49.040  9.2846 61.611  4.9663 -12.57134      10.52945 
1 1 1 29 12 29 o 59.199  3.9335 38.463   2.8438  57.880  6.9821 60.518  3.6251 -2.637856      7.867086 
1 1 1 29 12 31 o 21.462  6.4980 4.4627   3.0396  24.575  10.561 18.348  7.5744 6.226831       12.99600 
1 1 1 29 13 0  f 8.3077  6.0595 -9.5836  5.1959  8.3077  6.0595 ?       ?      0.000000       0.000000 
1 1 1 29 13 2  o 57.457  3.1039 33.734   2.4811  52.420  4.8459 62.495  3.8799 -10.07480      6.207799 
1 1 1 29 13 4  o 65.036  3.3250 43.646   2.9393  60.384  5.4497 69.688  3.8108 -9.304764      6.649939 
1 1 1 29 13 6  o 85.316  2.6229 73.196   3.0106  85.768  4.3080 84.864  2.9933 0.9039459      5.245787 
1 1 1 29 13 8  o 115.633 1.9536 133.114  2.9080  117.644 3.3370 113.623 2.0324 4.020798       3.907225 
1 1 1 29 13 10 o 85.688  2.7749 72.354   2.9122  88.890  4.8711 82.485  2.6597 6.404907       5.549880 
1 1 1 29 13 12 f 32.739  5.6115 10.470   2.3600  40.178  8.8596 25.301  6.8894 14.87691       11.22302 
1 1 1 29 13 14 o 79.546  2.4593 65.193   2.6594  73.027  4.0319 86.065  2.8173 -13.03868      4.918683 
1 1 1 29 13 16 o 96.379  2.6947 95.967   3.3854  91.415  4.6103 101.343 2.7914 -9.927765      5.389473 
1 1 1 29 13 18 o 88.807  2.7878 81.156   2.9626  86.671  4.9958 90.943  2.4758 -4.271530      5.575614 
1 1 1 29 13 20 o 63.097  4.0041 40.257   3.2482  66.284  6.7937 59.910  4.2401 6.374569       8.008261 
1 1 1 29 13 22 o 24.405  6.4191 5.6376   2.7375  26.823  10.222 21.986  7.7670 4.836872       12.83821 
1 1 1 29 13 24 o 23.598  6.3383 5.2099   2.9201  22.852  9.6649 24.343  8.2027 -1.490770      12.67658 
1 1 1 29 13 26 o 25.445  6.5191 7.1950   3.2653  22.180  9.7105 28.709  8.7007 -6.529144      13.03827 
1 1 1 29 13 28 o 20.617  6.1519 2.7365   2.9097  20.815  9.6709 20.419  7.6063 0.3955803      12.30379 
1 1 1 29 13 30 o 22.134  6.6266 4.7054   3.1299  26.734  10.911 17.534  7.5234 9.199324       13.25311 
1 1 1 29 13 32 o 17.175  5.8694 -3.0457  3.4486  19.299  9.4980 15.050  6.8984 4.248844       11.73881 
1 1 1 29 14 1  o 123.050 2.1430 152.418  3.7235  119.785 3.1328 126.317 2.9251 -6.532043      4.286083 
1 1 1 29 14 3  o 162.635 2.0754 266.570  4.5945  161.194 3.3667 164.077 2.4278 -2.883255      4.150754 
1 1 1 29 14 5  o 39.972  4.4888 16.837   2.4124  36.936  7.2934 43.009  5.2351 -6.073807      8.977683 
1 1 1 29 14 7  o 69.646  3.2071 50.135   2.9097  66.281  5.4874 73.010  3.3211 -6.729195      6.414184 
1 1 1 29 14 9  o 23.046  6.0770 4.3889   2.5725  23.903  9.3424 22.189  7.7741 1.714132       12.15390 
1 1 1 29 14 11 o 26.901  5.9460 7.4346   2.4697  26.132  9.4456 27.671  7.2250 -1.539301      11.89197 
1 1 1 29 14 13 o 21.065  5.9938 1.9140   2.7179  20.599  9.2246 21.532  7.6558 -0.9327412     11.98768 
1 1 1 29 14 15 o 20.233  5.7955 1.6104   2.6739  18.800  8.3606 21.665  8.0283 -2.865599      11.59107 
1 1 1 29 14 17 f 96.789  2.3662 94.215   2.8438  97.490  4.1453 96.087  2.2832 1.402748       4.732479 
1 1 1 29 14 19 o 104.520 2.6714 111.067  3.4463  104.367 4.7019 104.673 2.5371 -0.3066101     5.342768 
1 1 1 29 14 21 o 65.899  3.5984 44.454   2.8481  66.697  6.4054 65.102  3.2811 1.594200       7.196890 
1 1 1 29 14 23 o 22.379  6.3937 3.9366   2.7582  25.856  10.384 18.901  7.4623 6.954409       12.78730 
1 1 1 29 14 25 o 23.182  6.4496 5.3042   2.7784  24.739  10.450 21.625  7.5625 3.114241       12.89927 
1 1 1 29 14 27 o 40.399  5.8709 19.570   2.7012  38.959  10.764 41.839  4.6915 -2.879944      11.74170 
1 1 1 29 14 29 o 37.019  6.3668 17.016   2.9378  40.962  10.726 33.076  6.8624 7.885258       12.73354 
1 1 1 29 14 31 o 18.279  5.8348 0.5517   3.1524  18.274  8.8412 18.283  7.6165 -0.8403778E-02 11.66955 
1 1 1 29 15 0  o 122.786 3.6747 151.836  9.0062  122.786 3.6747 ?       ?      0.000000       0.000000 
1 1 1 29 15 2  o 111.303 2.2087 127.468  3.1627  105.923 3.8153 116.684 2.2265 -10.76076      4.417429 
1 1 1 29 15 4  o 52.216  3.5122 27.019   2.4940  56.193  5.5480 48.240  4.3084 7.952637       7.024378 
1 1 1 29 15 6  o 109.297 2.1778 119.840  3.2089  110.076 3.5664 108.518 2.5004 1.558517       4.355643 
1 1 1 29 15 8  f 129.000 1.9019 166.846  3.4399  130.563 2.8742 127.438 2.4916 3.125053       3.803825 
1 1 1 29 15 10 o 107.863 2.3027 117.598  3.3068  106.754 3.8397 108.971 2.5430 -2.217285      4.605418 
1 1 1 29 15 12 o 117.016 2.2058 138.472  3.4667  115.680 3.6432 118.352 2.4878 -2.672256      4.411571 
1 1 1 29 15 14 o 22.761  5.9625 3.5883   2.3956  29.573  9.8399 15.948  6.7366 13.62506       11.92501 
1 1 1 29 15 16 o 27.540  6.4113 7.6218   2.7643  32.289  10.035 22.790  7.9817 9.498888       12.82261 
1 1 1 29 15 18 o 23.515  6.3015 4.2221   2.9489  21.994  9.7487 25.036  7.9873 -3.041828      12.60298 
1 1 1 29 15 20 o 60.940  3.6292 36.755   2.6666  65.146  6.3807 56.735  3.4598 8.410942       7.258303 
1 1 1 29 15 22 o 17.520  5.5565 -1.2316  2.6942  18.258  8.5783 16.782  7.0650 1.475863       11.11309 
1 1 1 29 15 24 o 28.350  6.7623 9.9482   3.0628  28.976  10.764 27.723  8.1881 1.252167       13.52458 
1 1 1 29 15 26 o 23.993  6.5525 6.3554   3.1030  23.438  10.220 24.547  8.2027 -1.108534      13.10490 
1 1 1 29 15 28 o 17.184  5.4749 0.1418   2.6042  18.147  8.5010 16.220  6.9016 1.927454       10.94987 
1 1 1 29 15 30 o 18.684  5.7832 0.8223   3.1936  16.983  8.2991 20.386  8.0564 -3.402586      11.56640 
1 1 1 29 16 1  o 112.208 2.0125 126.511  3.1375  112.115 2.5232 112.301 3.1359 -0.1852188     4.024989 
1 1 1 29 16 3  o 59.414  3.4963 35.006   2.5775  61.573  6.0945 57.255  3.4284 4.318562       6.992612 
1 1 1 29 16 5  o 107.421 2.4409 116.722  3.4399  106.287 4.1281 108.555 2.6059 -2.267929      4.881829 
1 1 1 29 16 7  o 66.348  3.2929 44.616   2.9097  66.417  5.4762 66.280  3.6584 0.1371384      6.585811 
1 1 1 29 16 9  o 57.127  3.6049 32.976   2.7035  58.133  6.0580 56.121  3.9091 2.011940       7.209742 
1 1 1 29 16 11 f 46.596  4.6853 21.983   2.7997  48.432  7.9866 44.759  4.9014 3.672165       9.370693 
1 1 1 29 16 13 o 27.301  6.6838 7.4522   2.9534  30.559  10.555 24.043  8.2027 6.515371       13.36762 
1 1 1 29 16 15 o 73.021  3.4846 53.936   3.2006  74.509  6.0437 71.533  3.4704 2.975876       6.969227 
1 1 1 29 16 17 o 53.209  3.7494 28.568   2.7111  57.629  5.9106 48.789  4.6149 8.839790       7.498779 
1 1 1 29 16 19 o 80.572  3.1064 65.523   3.1859  83.421  5.3289 77.723  3.1940 5.698013       6.212803 
1 1 1 29 16 21 o 51.088  5.5296 30.042   2.9982  47.199  10.314 54.976  3.9905 -7.776787      11.05924 
1 1 1 29 16 23 o 38.037  5.8899 18.795   3.0666  29.420  10.446 46.653  5.4449 -17.23351      11.77974 
1 1 1 29 16 25 f 22.482  6.8205 3.1020   3.6475  28.192  11.267 16.771  7.6901 11.42071       13.64107 
1 1 1 29 16 27 o 36.284  6.4635 16.052   2.7264  39.417  11.469 33.150  5.9644 6.267281       12.92708 
1 1 1 29 16 29 o 18.640  5.8615 2.4118   2.9460  20.187  9.0300 17.092  7.4759 3.094915       11.72307 
1 1 1 29 17 0  f 249.456 2.9864 624.548  14.895  249.456 2.9864 ?       ?      0.000000       0.000000 
1 1 1 29 17 2  o 207.070 2.0601 430.990  6.0218  210.151 2.9944 203.989 2.8302 6.162094       4.120249 
1 1 1 29 17 4  o 94.278  2.3913 89.788   2.9882  93.781  4.0015 94.775  2.6194 -0.9942245     4.782541 
1 1 1 29 17 6  f 61.060  3.5923 38.537   2.7225  59.288  6.3294 62.831  3.3998 -3.542702      7.184694 
1 1 1 29 17 8  o 64.587  3.5871 42.772   2.6666  63.794  6.5159 65.380  3.0023 -1.586063      7.174277 
1 1 1 29 17 10 o 66.413  3.0827 44.643   2.8300  68.316  4.8169 64.511  3.8482 3.805557       6.165332 
1 1 1 29 17 12 o 134.130 2.1691 180.171  3.9209  136.944 3.5412 131.315 2.5060 5.628677       4.338243 
1 1 1 29 17 14 o 85.234  2.9951 72.356   3.2630  89.291  5.1079 81.177  3.1292 8.113731       5.990209 
1 1 1 29 17 16 f 103.651 2.6942 108.778  3.4946  104.440 4.6986 102.862 2.6379 1.578377       5.388489 
1 1 1 29 17 18 o 90.550  2.7314 84.456   3.2653  89.172  4.5967 91.928  2.9517 -2.756416      5.462803 
1 1 1 29 17 20 o 94.501  3.0259 91.212   3.3598  95.558  5.4374 93.444  2.6567 2.114075       6.051721 
1 1 1 29 17 22 o 30.100  6.4304 11.758   3.0416  27.001  10.351 33.198  7.6327 -6.197027      12.86077 
1 1 1 29 17 24 o 18.204  5.7772 -1.2445  3.0644  18.022  8.7772 18.385  7.5143 -0.3626823     11.55440 
1 1 1 29 17 26 o 23.704  6.4767 6.9851   3.0560  26.106  9.7350 21.302  8.5452 4.803772       12.95343 
1 1 1 29 17 28 o 20.385  6.1587 4.2337   2.9982  20.697  9.5927 20.073  7.7265 0.6236401      12.31741 
1 1 1 29 18 1  o 175.952 2.0181 311.231  5.0121  179.490 2.9270 172.414 2.7792 7.076416       4.036246 
1 1 1 29 18 3  o 111.992 2.0237 126.338  3.2039  112.979 2.8105 111.005 2.9125 1.973190       4.047411 
1 1 1 29 18 5  o 54.535  4.0556 29.999   2.8920  56.917  6.7960 52.153  4.4279 4.763607       8.111184 
1 1 1 29 18 7  f 43.592  4.3909 19.397   2.6348  46.793  6.7858 40.391  5.5744 6.402531       8.781851 
1 1 1 29 18 9  o 88.499  2.5029 78.792   3.0491  90.583  3.9515 86.415  3.0732 4.168015       5.005863 
1 1 1 29 18 11 o 125.804 2.3326 160.805  3.8557  124.576 3.9391 127.031 2.4996 -2.454674      4.665282 
1 1 1 29 18 13 o 63.246  3.7243 40.026   2.7670  65.869  6.6612 60.622  3.3332 5.246918       7.448561 
1 1 1 29 18 15 o 101.114 2.6115 103.030  3.4476  103.583 4.4031 98.645  2.8092 4.938026       5.222931 
1 1 1 29 18 17 o 85.063  2.9710 74.504   3.2474  84.888  5.1007 85.237  3.0479 -0.3492508     5.942002 
1 1 1 29 18 19 o 73.057  3.8173 55.931   3.2706  73.051  6.8756 73.063  3.3187 -0.1142120E-01 7.634641 
1 1 1 29 18 21 o 77.658  3.2011 63.329   3.0751  78.050  5.6216 77.266  3.0635 0.7844391      6.402138 
1 1 1 29 18 23 o 33.895  5.9993 15.617   3.2635  24.585  10.383 43.206  6.0130 -18.62083      11.99859 
1 1 1 29 18 25 o 32.915  6.7043 14.776   3.1245  33.372  10.945 32.457  7.7454 0.9157791      13.40860 
1 1 1 29 18 27 o 19.821  6.3029 3.0692   3.3834  21.624  9.8960 18.017  7.8086 3.606873       12.60575 
1 1 1 29 19 0  o 114.153 3.1409 131.283  7.1588  114.153 3.1409 ?       ?      0.000000       0.000000 
1 1 1 29 19 2  o 105.922 2.0860 113.386  3.1175  110.064 2.8325 101.780 3.0630 8.284691       4.171941 
1 1 1 29 19 4  o 57.692  3.2243 34.278   2.5864  60.574  4.0030 54.810  5.0559 5.763779       6.448686 
1 1 1 29 19 6  o 63.354  2.8798 40.960   2.5662  65.395  3.7961 61.312  4.3314 4.083549       5.759500 
1 1 1 29 19 8  o 45.358  4.0343 20.935   2.5351  50.541  5.9399 40.174  5.4608 10.36660       8.068623 
1 1 1 29 19 10 o 54.598  4.1287 31.891   2.7375  51.661  7.3757 57.536  3.7126 -5.875237      8.257394 
1 1 1 29 19 12 o 31.397  6.0524 11.233   2.7140  30.419  9.6513 32.374  7.3063 -1.954542      12.10490 
1 1 1 29 19 14 o 17.238  5.5052 -2.0971  2.7997  17.501  8.2762 16.975  7.2618 0.5258427      11.01044 
1 1 1 29 19 16 o 30.056  6.7300 10.498   3.0097  29.074  11.372 31.039  7.2012 -1.964758      13.46003 
1 1 1 29 19 18 o 88.858  2.9834 78.141   3.4320  97.922  4.9524 79.795  3.3282 18.12737       5.966839 
1 1 1 29 19 20 o 54.458  4.8113 31.540   3.2583  60.364  8.2250 48.552  4.9941 11.81209       9.622506 
1 1 1 29 19 22 o 22.030  6.2114 4.9371   2.8608  21.611  9.6826 22.450  7.7828 -0.8383617     12.42276 
1 1 1 29 19 24 o 35.941  6.0398 16.767   2.9845  37.632  9.1312 34.249  7.9081 3.383602       12.07961 
1 1 1 29 19 26 o 22.425  6.4398 5.9592   3.2947  21.093  9.8597 23.757  8.2866 -2.663530      12.87951 
1 1 1 29 20 1  o 24.101  5.5777 4.9282   2.5350  31.351  8.3278 16.852  7.4224 14.49982       11.15549 
1 1 1 29 20 3  o 16.601  5.3099 -2.2162  2.6818  15.837  7.2456 17.365  7.7641 -1.528799      10.61977 
1 1 1 29 20 5  o 21.690  5.6088 3.8639   2.4124  25.037  7.9873 18.343  7.8764 6.694401       11.21761 
1 1 1 29 20 7  o 17.648  5.3496 -1.0557  2.6011  20.225  7.9704 15.071  7.1377 5.153954       10.69925 
1 1 1 29 20 9  o 28.088  5.6686 8.2255   2.8855  20.339  9.0341 35.837  6.8497 -15.49861      11.33725 
1 1 1 29 20 11 o 40.123  5.8898 17.530   2.9837  42.383  10.078 37.863  6.0990 4.519821       11.77951 
1 1 1 29 20 13 o 23.987  6.3426 4.7151   3.0210  21.951  9.9952 26.023  7.8108 -4.072680      12.68510 
1 1 1 29 20 15 o 46.650  6.1810 26.446   3.2839  40.995  11.414 52.304  4.7463 -11.30886      12.36192 
1 1 1 29 20 17 o 27.576  6.3691 9.0417   2.5242  29.977  10.605 25.175  7.0568 4.802326       12.73826 
1 1 1 29 20 19 o 34.001  6.4949 15.486   3.2947  28.035  11.486 39.966  6.0670 -11.93092      12.98989 
1 1 1 29 20 21 o 18.759  6.1036 0.1237   3.3402  21.239  9.7190 16.279  7.3864 4.960226       12.20724 
1 1 1 29 20 23 o 17.399  5.3479 0.9088   2.5477  16.485  7.7440 18.313  7.3778 -1.827961      10.69589 
1 1 1 29 20 25 o 31.067  7.2201 14.476   3.3609  32.867  11.818 29.266  8.2979 3.600868       14.44028 
1 1 1 29 21 0  o 37.234  8.7533 16.511   5.6578  37.234  8.7533 ?       ?      0.000000       0.000000 
1 1 1 29 21 2  o 53.674  3.5471 29.873   2.6842  56.450  4.8067 50.898  5.2177 5.552338       7.094292 
1 1 1 29 21 4  o 109.561 2.1601 121.416  3.3395  113.513 3.1024 105.609 3.0066 7.903984       4.320287 
1 1 1 29 21 6  o 100.510 2.2306 103.211  3.1398  104.805 2.8644 96.214  3.4202 8.590706       4.461271 
1 1 1 29 21 8  o 53.433  3.8295 30.053   2.8820  54.298  5.1035 52.567  5.7109 1.731289       7.659049 
1 1 1 29 21 10 o 17.794  5.6205 -1.4583  2.8438  17.896  8.4614 17.692  7.4003 0.2044239      11.24098 
1 1 1 29 21 12 o 41.416  5.8144 18.315   3.1709  51.539  8.5132 31.293  7.9218 20.24683       11.62882 
1 1 1 29 21 14 o 39.872  6.2398 20.584   3.1662  32.660  11.368 47.084  5.1499 -14.42374      12.47962 
1 1 1 29 21 16 o 31.410  5.8592 12.527   3.3609  21.680  9.9597 41.141  6.1744 -19.46132      11.71834 
1 1 1 29 21 18 o 25.963  7.2231 8.2931   3.4368  28.857  11.726 23.068  8.4375 5.788610       14.44623 
1 1 1 29 21 20 o 21.664  6.4304 4.1306   3.3692  20.917  9.6779 22.410  8.4698 -1.492952      12.86076 
1 1 1 29 21 22 f 28.465  6.6221 12.308   3.0895  27.157  10.259 29.772  8.3757 -2.614685      13.24415 
1 1 1 29 22 1  o 56.580  3.5022 33.849   2.7420  50.177  5.5227 62.982  4.3082 -12.80488      7.004374 
1 1 1 29 22 3  o 35.072  5.4675 14.062   2.6507  39.403  7.3070 30.741  8.1353 8.662226       10.93504 
1 1 1 29 22 5  o 23.129  6.2520 5.1364   2.8575  23.365  8.8994 22.893  8.7835 0.4722557      12.50397 
1 1 1 29 22 7  o 16.503  5.3619 -3.1541  2.9152  17.677  7.9133 15.330  7.2372 2.347903       10.72372 
1 1 1 29 22 9  o 24.366  6.4454 6.2440   3.0010  24.817  9.0833 23.916  9.1469 0.9008045      12.89074 
1 1 1 29 22 11 o 31.538  6.5006 12.644   3.1557  27.535  10.802 35.542  7.2358 -8.007601      13.00114 
1 1 1 29 22 13 f 35.721  5.7390 16.315   2.9258  28.478  9.7562 42.964  6.0467 -14.48695      11.47808 
1 1 1 29 22 15 o 23.272  6.2141 4.5618   3.3087  18.957  8.9159 27.586  8.6583 -8.629583      12.42813 
1 1 1 29 22 17 o 30.857  6.4419 13.306   3.2848  25.034  10.029 36.679  8.0874 -11.64428      12.88389 
1 1 1 29 22 19 f 21.497  6.3878 4.5196   2.9691  24.825  10.272 18.168  7.5956 6.656809       12.77559 
1 1 1 29 22 21 o 27.249  6.0290 10.755   3.1709  20.607  9.4233 33.890  7.5232 -13.28300      12.05808 
1 1 1 29 23 0  o 31.667  10.491 13.740   5.8887  31.667  10.491 ?       ?      0.000000       0.000000 
1 1 1 29 23 2  o 55.779  3.5666 32.860   2.7973  53.722  5.3732 57.837  4.6915 -4.114307      7.133152 
1 1 1 29 23 4  o 61.432  3.5948 39.893   3.1175  63.547  4.9059 59.318  5.2557 4.228977       7.189581 
1 1 1 29 23 6  o 36.648  5.9953 16.281   3.2320  28.314  9.5005 44.983  7.3155 -16.66960      11.99068 
1 1 1 29 23 8  o 55.426  3.9754 33.842   3.0500  59.556  4.8469 51.296  6.3026 8.259548       7.950839 
1 1 1 29 23 10 o 76.665  2.8870 61.931   3.1079  78.051  3.7723 75.278  4.3714 2.773277       5.774071 
1 1 1 29 23 12 o 59.074  4.6345 38.988   3.4496  58.674  8.0684 59.474  4.5624 -0.7999840     9.269020 
1 1 1 29 23 14 o 38.682  6.9482 20.828   3.5062  34.246  12.586 43.117  5.8915 -8.870712      13.89639 
1 1 1 29 23 16 o 21.909  6.4720 4.4977   3.2706  21.744  10.001 22.074  8.2172 -0.3300209     12.94396 
1 1 1 29 23 18 o 28.714  6.7143 12.569   3.3835  24.908  10.977 32.520  7.7357 -7.612892      13.42854 
1 1 1 29 23 20 o 26.198  6.6427 9.8304   3.2947  23.527  10.544 28.868  8.0822 -5.340542      13.28541 
1 1 1 29 24 1  o 49.804  4.4703 28.141   3.0206  46.370  7.3457 53.238  5.0968 -6.867760      8.940669 
1 1 1 29 24 3  f 96.992  2.3999 97.318   3.2816  98.119  3.5303 95.864  3.2520 2.254807       4.799893 
1 1 1 29 24 5  o 83.104  2.7354 72.243   3.1831  83.138  3.5415 83.070  4.1699 0.6807709E-01  5.470870 
1 1 1 29 24 7  o 18.620  5.7880 0.7511   2.9707  16.996  7.7316 20.244  8.6155 -3.248728      11.57606 
1 1 1 29 24 9  f 17.700  5.5999 -1.8943  3.0555  21.517  8.9454 13.884  6.7391 7.633539       11.19983 
1 1 1 29 24 11 o 14.075  4.6911 -4.9235  2.5610  12.122  6.0017 16.029  7.2114 -3.906918      9.382162 
1 1 1 29 24 13 o 17.735  5.7591 -1.0290  3.1880  20.530  9.1134 14.940  7.0437 5.589993       11.51820 
1 1 1 29 24 15 o 16.205  5.4360 -2.4825  2.9691  18.536  8.7065 13.873  6.5113 4.663231       10.87198 
1 1 1 29 24 17 o 24.000  6.8272 8.3185   3.4606  23.622  10.699 24.378  8.4837 -0.7557449     13.65443 
1 1 1 29 25 0  o 19.812  10.950 7.0433   6.2351  19.812  10.950 ?       ?      0.000000       0.000000 
1 1 1 29 25 2  o 62.729  3.5042 42.549   3.0668  61.760  5.4217 63.699  4.4410 -1.938400      7.008433 
1 1 1 29 25 4  o 72.565  2.8972 55.619   2.9707  74.632  4.0999 70.498  4.0946 4.134171       5.794357 
1 1 1 29 25 6  o 35.698  6.1698 16.871   3.1004  38.607  7.7500 32.790  9.6023 5.816338       12.33965 
1 1 1 29 25 8  o 24.649  6.3152 6.9841   3.2596  30.753  9.4307 18.545  8.4017 12.20712       12.63038 
1 1 1 29 25 10 o 20.639  5.8160 2.8344   2.9743  25.081  8.7643 16.197  7.6479 8.884287       11.63197 
1 1 1 29 25 12 o 28.030  6.2690 10.893   2.8100  24.411  8.5714 31.650  9.1505 -7.238789      12.53802 
1 1 1 29 25 14 o 18.590  6.0933 0.7514   3.5424  21.472  9.7064 15.708  7.3689 5.763333       12.18667 
1 1 1 29 26 1  o 66.263  3.4586 47.890   3.2320  69.772  4.7164 62.753  5.0599 7.018936       6.917172 
1 1 1 29 26 3  o 47.251  4.4599 26.103   2.7997  40.134  7.3200 54.368  5.0971 -14.23387      8.919806 
1 1 1 29 26 5  o 20.436  6.1237 3.5557   3.0863  19.565  8.5562 21.308  8.7630 -1.742527      12.24743 
1 1 1 29 26 7  o 20.161  5.9144 2.2407   3.0555  25.213  9.3997 15.110  7.1809 10.10260       11.82882 
1 1 1 29 26 9  o 29.625  6.6771 13.341   3.1081  29.375  8.6573 29.875  10.168 -0.4999638     13.35429 
1 1 1 29 26 11 o 26.888  5.9781 9.8966   2.7854  19.701  8.1347 34.076  8.7624 -14.37461      11.95628 
1 1 1 29 27 0  o 63.787  5.2272 44.223   6.5815  63.787  5.2272 ?       ?      0.000000       0.000000 
1 1 1 29 27 2  o 50.455  4.4086 30.354   3.1079  44.587  6.6037 56.324  5.8426 -11.73701      8.817251 
1 1 1 29 27 4  o 19.313  5.7926 2.9342   2.9398  16.267  7.6058 22.358  8.7389 -6.090309      11.58521 
1 1 1 29 27 6  o 14.913  5.0352 -4.1567  3.0021  14.331  6.9231 15.496  7.3133 -1.164864      10.07045 
1 1 1 30 1  1  o 145.183 1.8009 211.098  3.6867  144.560 2.4361 145.806 2.6529 -1.246735      3.601737 
1 1 1 30 1  3  o 198.341 1.9673 393.697  5.4879  200.798 2.9326 195.883 2.6231 4.914703       3.934580 
1 1 1 30 1  5  o 167.568 1.9015 281.425  4.4965  167.708 2.7884 167.428 2.5861 0.2800903      3.803038 
1 1 1 30 1  7  o 70.799  3.9627 50.554   3.1311  70.824  3.1791 70.774  7.2599 0.5014038E-01  7.925481 
1 1 1 30 1  9  o 28.949  6.4316 8.3807   2.7689  27.681  7.6675 30.217  10.328 -2.535831      12.86318 
1 1 1 30 1  11 o 57.101  4.0441 32.973   3.0666  56.811  4.4713 57.391  6.7398 -0.5797844     8.088167 
1 1 1 30 1  13 o 78.404  2.9255 62.074   3.0483  78.755  3.2255 78.052  4.8818 0.7027283      5.851094 
1 1 1 30 1  15 o 107.114 2.5234 117.409  3.4748  110.785 2.5535 103.443 4.3532 7.341713       5.046874 
1 1 1 30 1  17 o 88.433  3.1942 84.159   3.5458  100.104 2.9990 76.762  5.6407 23.34188       6.388380 
1 1 1 30 1  19 o 56.054  4.1090 31.403   3.1492  52.106  5.0967 60.002  6.4466 -7.896355      8.217955 
1 1 1 30 1  21 o 124.351 2.3508 154.151  3.9396  120.453 2.7320 128.249 3.8264 -7.795441      4.701561 
1 1 1 30 1  23 o 108.680 2.4592 119.305  3.7707  105.034 3.4078 112.325 3.5464 -7.290794      4.918388 
1 1 1 30 1  25 o 56.805  5.6407 34.612   3.4508  57.151  4.3438 56.460  10.412 0.6908684      11.28142 
1 1 1 30 1  27 o 35.487  6.5014 14.433   3.1868  30.362  8.4445 40.612  9.8876 -10.24917      13.00289 
1 1 1 30 1  29 o 34.021  6.5509 14.293   3.1449  34.851  7.6621 33.191  10.628 1.660378       13.10175 
1 1 1 30 1  31 o 18.673  5.9334 0.0168   2.9979  14.756  6.8491 22.591  9.6908 -7.834906      11.86685 
1 1 1 30 1  33 o 19.195  6.1292 0.5625   3.5692  19.750  8.6355 18.639  8.7004 1.111456       12.25843 
1 1 1 30 2  0  o 36.740  7.2279 15.010   4.7340  36.740  7.2279 ?       ?      0.000000       0.000000 
1 1 1 30 2  2  o 93.451  2.3025 88.388   3.0021  102.316 2.9341 84.586  3.5491 17.73029       4.604939 
1 1 1 30 2  4  o 114.590 2.0837 132.388  3.3325  110.865 3.2286 118.314 2.6350 -7.448853      4.167377 
1 1 1 30 2  6  f 103.775 2.0654 107.976  3.0285  103.089 2.8561 104.462 2.9844 -1.373245      4.130853 
1 1 1 30 2  8  o 72.708  2.6102 53.038   2.6768  74.395  3.8025 71.022  3.5767 3.373329       5.220319 
1 1 1 30 2  10 o 27.102  6.6429 6.6392   2.9636  22.952  8.2583 31.253  10.407 -8.301413      13.28574 
1 1 1 30 2  12 o 70.034  3.1752 48.245   2.8294  66.761  3.2861 73.307  5.4340 -6.546371      6.350384 
1 1 1 30 2  14 o 24.084  6.1932 2.6326   2.8305  14.905  6.7932 33.262  10.357 -18.35752      12.38645 
1 1 1 30 2  16 o 58.182  3.8822 33.657   2.9979  54.871  4.4190 61.493  6.3842 -6.622070      7.764385 
1 1 1 30 2  18 f 27.597  6.6792 7.0664   3.0483  22.473  8.4016 32.721  10.386 -10.24849      13.35848 
1 1 1 30 2  20 o 35.506  6.4796 13.502   3.0922  33.650  7.5622 37.363  10.524 -3.712959      12.95911 
1 1 1 30 2  22 o 51.383  4.3366 27.177   3.0106  50.444  5.0358 52.323  7.0616 -1.879284      8.673272 
1 1 1 30 2  24 o 47.353  4.4255 23.623   2.8672  48.672  5.2191 46.035  7.1484 2.637512       8.850904 
1 1 1 30 2  26 o 31.059  6.7922 11.072   3.1895  29.442  8.6510 32.677  10.473 -3.235256      13.58433 
1 1 1 30 2  28 o 21.661  6.4920 1.6908   3.5355  22.654  8.8332 20.668  9.5162 1.985992       12.98396 
1 1 1 30 2  30 o 29.753  6.7385 11.623   3.1290  27.674  8.7622 31.832  10.240 -4.157934      13.47692 
1 1 1 30 2  32 o 19.206  6.1228 0.5489   3.5455  19.561  8.4758 18.851  8.8383 0.7097836      12.24560 
1 1 1 30 2  34 o 15.635  5.3507 -5.5680  3.6362  15.007  7.3435 16.263  7.7842 -1.256063      10.70148 
1 1 1 30 3  1  o 98.225  1.9340 96.435   2.6768  91.890  2.7644 104.561 2.7055 -12.67121      3.868041 
1 1 1 30 3  3  o 184.970 1.9860 342.639  5.1901  180.288 2.7859 189.651 2.8310 -9.363693      3.971932 
1 1 1 30 3  5  o 141.867 1.8701 201.576  3.7490  138.948 2.6176 144.787 2.6716 -5.839066      3.740215 
1 1 1 30 3  7  o 84.301  2.3298 71.379   2.7603  84.074  3.5021 84.528  3.0735 -0.4537735     4.659507 
1 1 1 30 3  9  o 23.252  5.4616 5.2750   2.1037  22.624  7.8830 23.880  7.5614 -1.256313      10.92319 
1 1 1 30 3  11 o 21.919  5.7655 3.8743   2.3677  22.475  8.5431 21.363  7.7447 1.112394       11.53104 
1 1 1 30 3  13 o 86.539  3.0348 75.398   3.6371  85.575  3.7780 87.502  4.7504 -1.927048      6.069558 
1 1 1 30 3  15 o 128.909 2.2708 169.646  3.8826  133.837 2.4588 123.980 3.8184 9.856163       4.541542 
1 1 1 30 3  17 o 76.943  3.3502 60.727   3.3617  79.082  3.5042 74.804  5.7112 4.277672       6.700478 
1 1 1 30 3  19 o 22.909  6.4703 3.2076   3.0508  20.785  8.2996 25.033  9.9286 -4.247807      12.94069 
1 1 1 30 3  21 o 96.139  2.6552 92.088   3.2482  93.641  2.7127 98.637  4.5653 -4.996086      5.310470 
1 1 1 30 3  23 o 20.760  6.2451 0.9820   3.1727  19.427  8.3209 22.092  9.3150 -2.665470      12.49023 
1 1 1 30 3  25 o 58.837  3.9626 35.906   3.2543  57.671  5.1054 60.003  6.0616 -2.331963      7.925175 
1 1 1 30 3  27 o 35.124  6.4215 14.856   3.2259  38.417  7.6347 31.831  10.327 6.586718       12.84304 
1 1 1 30 3  29 o 31.111  7.0306 12.496   3.4863  32.165  8.9890 30.057  10.813 2.108706       14.06128 
1 1 1 30 3  31 o 26.044  7.3472 8.2052   3.5722  23.447  8.5371 28.640  11.960 -5.192739      14.69433 
1 1 1 30 3  33 o 20.482  5.9559 2.9898   3.0470  22.717  8.2499 18.247  8.5924 4.470018       11.91175 
1 1 1 30 4  0  o 233.121 3.0225 544.531  14.087  233.121 3.0225 ?       ?      0.000000       0.000000 
1 1 1 30 4  2  o 192.774 1.8155 371.078  4.8752  189.391 2.3167 196.157 2.7960 -6.765564      3.631090 
1 1 1 30 4  4  o 222.644 1.9364 495.816  6.0512  219.021 2.5568 226.266 2.9087 -7.244888      3.872747 
1 1 1 30 4  6  o 79.108  2.4782 62.884   2.7699  79.517  3.4124 78.699  3.5946 0.8179626      4.956340 
1 1 1 30 4  8  f 145.623 1.8782 212.636  3.8672  146.767 2.6749 144.480 2.6373 2.286896       3.756335 
1 1 1 30 4  10 o 128.876 2.0624 166.904  3.7526  133.154 2.8182 124.597 3.0118 8.556229       4.124725 
1 1 1 30 4  12 o 20.513  5.6610 0.0304   2.7274  26.990  9.1485 14.036  6.6701 12.95477       11.32194 
1 1 1 30 4  14 o 18.363  5.6245 -0.3687  2.6594  19.439  8.3671 17.287  7.5187 2.151377       11.24899 
1 1 1 30 4  16 o 22.428  6.2018 3.4429   2.8551  23.357  8.9612 21.499  8.5758 1.858730       12.40355 
1 1 1 30 4  18 o 34.891  6.1329 13.469   3.1196  41.268  6.1554 28.513  10.609 12.75498       12.26581 
1 1 1 30 4  20 o 94.210  2.6551 88.266   3.3854  89.877  3.1475 98.542  4.2768 -8.665565      5.310163 
1 1 1 30 4  22 o 67.143  3.7173 46.088   3.4611  65.211  4.6922 69.076  5.7669 -3.864738      7.434647 
1 1 1 30 4  24 o 42.932  5.5956 20.319   3.2543  44.293  6.6475 41.572  9.0030 2.720951       11.19121 
1 1 1 30 4  26 o 19.324  6.0934 -0.5283  3.0164  15.418  7.0106 23.230  9.9685 -7.811387      12.18685 
1 1 1 30 4  28 o 17.026  5.6027 -4.4557  3.3218  17.565  7.9222 16.486  7.9246 1.079887       11.20540 
1 1 1 30 4  30 o 22.368  6.6672 4.4212   3.4453  20.215  8.4741 24.520  10.295 -4.305271      13.33432 
1 1 1 30 4  32 o 29.981  7.1254 13.207   3.5785  31.046  9.4128 28.915  10.700 2.130560       14.25076 
1 1 1 30 4  34 o 20.943  6.4782 3.5090   3.9422  23.185  9.3547 18.701  8.9644 4.484324       12.95650 
1 1 1 30 5  1  o 176.240 1.8067 311.261  4.5024  174.263 2.5510 178.216 2.5592 -3.953430      3.613414 
1 1 1 30 5  3  o 181.306 1.7787 329.434  4.5601  180.340 2.4970 182.272 2.5339 -1.931915      3.557484 
1 1 1 30 5  5  o 186.757 2.0109 349.716  5.3089  184.311 2.8191 189.202 2.8683 -4.890121      4.021730 
1 1 1 30 5  7  o 143.520 1.9057 206.546  3.8672  141.696 2.6891 145.344 2.7010 -3.647858      3.811416 
1 1 1 30 5  9  o 135.358 2.0829 183.781  3.9701  134.407 2.7920 136.309 3.0918 -1.901489      4.165884 
1 1 1 30 5  11 o 83.930  2.5772 70.754   3.0500  85.997  3.7595 81.864  3.5261 4.133064       5.154332 
1 1 1 30 5  13 o 78.032  2.6431 61.368   2.9129  78.050  3.8463 78.013  3.6262 0.3748322E-01  5.286151 
1 1 1 30 5  15 o 21.387  6.0395 2.4640   2.7997  19.529  8.2499 23.246  8.8228 -3.717354      12.07899 
1 1 1 30 5  17 o 92.808  2.5815 87.062   3.3771  96.579  3.4671 89.038  3.8256 7.540298       5.162910 
1 1 1 30 5  19 o 83.969  2.6378 71.361   3.1004  84.995  3.3962 82.943  4.0371 2.052017       5.275630 
1 1 1 30 5  21 o 35.126  5.6437 13.560   2.7420  35.978  7.9163 34.273  8.0460 1.705376       11.28749 
1 1 1 30 5  23 o 31.992  6.4849 11.504   3.0508  33.035  7.9489 30.949  10.248 2.085989       12.96974 
1 1 1 30 5  25 o 27.660  6.5863 8.1888   3.0756  29.448  8.1561 25.872  10.344 3.576029       13.17259 
1 1 1 30 5  27 o 34.050  6.6097 13.997   3.2051  35.283  7.7380 32.817  10.718 2.466572       13.21943 
1 1 1 30 5  29 o 19.217  5.9895 0.1155   3.0483  14.420  6.7826 24.015  9.8737 -9.594493      11.97890 
1 1 1 30 5  31 o 19.810  6.2289 1.2328   3.5003  20.016  8.4361 19.605  9.1667 0.4108105      12.45773 
1 1 1 30 5  33 o 25.641  6.3720 8.9152   3.3436  31.221  8.9599 20.062  9.0625 11.15833       12.74400 
1 1 1 30 6  0  o 131.267 2.9500 172.850  7.7361  131.267 2.9500 ?       ?      0.000000       0.000000 
1 1 1 30 6  2  o 73.153  2.5780 53.956   2.6544  70.264  3.8617 76.041  3.4165 -5.777031      5.156096 
1 1 1 30 6  4  o 203.107 1.7307 412.977  4.9408  201.165 2.2959 205.049 2.5903 -3.884460      3.461336 
1 1 1 30 6  6  o 258.818 2.3237 671.222  8.2375  260.832 3.7185 256.804 2.7877 4.028168       4.647389 
1 1 1 30 6  8  o 212.956 2.0609 455.232  6.2061  210.682 2.9321 215.229 2.8970 -4.546921      4.121814 
1 1 1 30 6  10 o 121.296 2.5622 148.071  4.1149  121.429 2.8051 121.163 4.2884 0.2666397      5.124317 
1 1 1 30 6  12 o 58.759  3.3370 35.509   2.7024  63.470  4.0022 54.047  5.3409 9.423008       6.674066 
1 1 1 30 6  14 o 83.439  2.3478 70.008   2.7663  85.387  3.3806 81.491  3.2589 3.895432       4.695614 
1 1 1 30 6  16 o 61.676  3.1404 38.786   2.7122  65.718  4.0411 57.635  4.8081 8.083046       6.280794 
1 1 1 30 6  18 o 21.328  5.9474 2.8088   2.6356  19.062  7.8636 23.594  8.9248 -4.531591      11.89485 
1 1 1 30 6  20 o 112.704 2.1914 128.037  3.4926  113.413 3.1052 111.994 3.0930 1.419289       4.382745 
1 1 1 30 6  22 o 59.974  2.9408 36.728   2.4811  62.453  3.8825 57.495  4.4182 4.958202       5.881694 
1 1 1 30 6  24 o 18.376  5.5420 0.6718   2.5350  19.145  8.0814 17.607  7.5860 1.537935       11.08410 
1 1 1 30 6  26 o 15.987  5.2224 -3.2473  2.7497  16.249  7.6277 15.725  7.1354 0.5237427      10.44489 
1 1 1 30 6  28 o 22.037  6.5999 3.1517   3.4399  21.193  8.5787 22.882  10.032 -1.688822      13.19973 
1 1 1 30 6  30 o 27.019  6.9496 8.9962   3.6640  21.875  9.3142 32.162  10.317 -10.28706      13.89923 
1 1 1 30 6  32 o 18.027  5.9257 -1.8547  3.6476  16.629  7.8310 19.425  8.8956 -2.796350      11.85143 
1 1 1 30 7  1  o 185.044 1.8422 342.812  4.8066  181.873 2.5077 188.215 2.6993 -6.341446      3.684388 
1 1 1 30 7  3  o 167.501 1.9394 281.239  4.5750  166.445 2.6014 168.557 2.8771 -2.112930      3.878776 
1 1 1 30 7  5  o 185.903 1.8993 346.388  4.9897  181.572 2.6709 190.234 2.7010 -8.662201      3.798516 
1 1 1 30 7  7  f 169.956 2.0082 289.642  4.7997  171.206 3.0012 168.706 2.6692 2.499420       4.016425 
1 1 1 30 7  9  o 125.311 2.6078 154.910  4.2685  119.992 2.8387 130.629 4.3754 -10.63673      5.215553 
1 1 1 30 7  11 o 12.843  4.3310 -5.8677  2.2043  13.115  6.1439 12.570  6.1058 0.5456057      8.661922 
1 1 1 30 7  13 o 20.512  5.8907 2.0064   2.6768  20.891  8.2492 20.133  8.4113 0.7575512      11.78133 
1 1 1 30 7  15 o 42.478  4.2573 18.522   2.5389  45.989  5.6490 38.967  6.3707 7.022137       8.514532 
1 1 1 30 7  17 o 24.926  5.8102 6.0619   2.4771  28.071  8.0264 21.781  8.4030 6.289925       11.62040 
1 1 1 30 7  19 o 46.255  4.6074 22.169   3.0021  43.884  6.8410 48.627  6.1737 -4.742867      9.214854 
1 1 1 30 7  21 o 25.307  6.2569 6.1821   2.8242  28.735  9.1304 21.880  8.5574 6.855000       12.51373 
1 1 1 30 7  23 o 38.125  4.9597 15.819   2.5980  34.480  7.7273 41.770  6.2197 -7.290150      9.919462 
1 1 1 30 7  25 o 28.120  6.9400 8.5561   3.2653  32.256  10.794 23.985  8.7255 8.271423       13.87991 
1 1 1 30 7  27 o 23.615  6.3785 5.3786   2.6299  26.502  10.368 20.727  7.4330 5.774481       12.75698 
1 1 1 30 7  29 o 16.662  5.4503 -1.7449  2.7582  18.115  8.5484 15.208  6.7638 2.906450       10.90060 
1 1 1 30 7  31 o 25.936  5.8450 8.5076   2.6240  31.809  8.4035 20.064  8.1262 11.74469       11.68992 
1 1 1 30 7  33 o 25.890  6.3870 9.9213   3.0396  23.033  10.205 28.747  7.6827 -5.714144      12.77401 
1 1 1 30 8  0  f 72.127  3.5400 52.536   5.0804  72.127  3.5400 ?       ?      0.000000       0.000000 
1 1 1 30 8  2  o 141.102 1.9099 199.554  3.8025  139.568 2.6060 142.637 2.7928 -3.068954      3.819793 
1 1 1 30 8  4  o 95.928  2.2572 92.487   3.0598  93.761  3.2634 98.094  3.1193 -4.333191      4.514387 
1 1 1 30 8  6  o 101.280 2.2167 102.918  3.1711  104.654 3.1444 97.905  3.1253 6.749062       4.433349 
1 1 1 30 8  8  o 20.925  5.8942 1.9617   2.6592  21.799  7.7603 20.051  8.8739 1.747860       11.78850 
1 1 1 30 8  10 o 103.131 2.1411 107.006  3.1133  104.270 2.8791 101.992 3.1699 2.278427       4.282228 
1 1 1 30 8  12 o 102.651 2.1511 106.082  3.1133  103.798 2.8922 101.505 3.1851 2.293610       4.302290 
1 1 1 30 8  14 o 27.351  5.5238 7.8882   2.3614  22.899  8.3445 31.802  7.2400 -8.903511      11.04751 
1 1 1 30 8  16 o 85.058  2.4255 72.841   2.9129  88.806  3.3805 81.310  3.4791 7.496178       4.850992 
1 1 1 30 8  18 o 45.292  5.1802 22.557   3.0587  56.594  5.5086 33.991  8.7746 22.60332       10.36046 
1 1 1 30 8  20 o 32.130  6.0321 11.186   2.8085  38.172  8.6658 26.089  8.3934 12.08253       12.06415 
1 1 1 30 8  22 o 52.707  3.4043 28.456   2.4367  53.423  5.5114 51.991  3.9975 1.431549       6.808540 
1 1 1 30 8  24 o 21.901  6.3003 2.9306   2.7668  26.831  10.334 16.970  7.2096 9.860956       12.60051 
1 1 1 30 8  26 o 20.379  5.9527 2.6557   2.5402  21.868  9.4666 18.890  7.2197 2.977549       11.90549 
1 1 1 30 8  28 o 19.119  5.9560 1.4466   2.8147  21.851  9.5352 16.387  7.1397 5.463587       11.91194 
1 1 1 30 8  30 o 16.371  5.3376 -1.5995  2.7813  17.092  8.0618 15.650  6.9978 1.441735       10.67528 
1 1 1 30 8  32 f 19.246  5.7813 2.1421   2.5679  25.312  9.7797 13.179  6.1685 12.13218       11.56257 
1 1 1 30 9  1  o 60.077  2.8579 36.322   2.4124  60.621  4.2855 59.533  3.7820 1.088009       5.715710 
1 1 1 30 9  3  o 88.427  2.1770 78.742   2.7122  85.481  3.2418 91.373  2.9064 -5.892815      4.353937 
1 1 1 30 9  5  o 48.888  4.0759 24.376   2.7854  47.827  6.2770 49.950  5.2011 -2.123104      8.151845 
1 1 1 30 9  7  o 47.160  5.4520 24.271   3.2848  53.204  5.4256 41.116  9.4583 12.08787       10.90397 
1 1 1 30 9  9  o 84.475  2.4159 72.310   2.8435  87.658  3.0296 81.292  3.7640 6.366348       4.831783 
1 1 1 30 9  11 o 57.480  3.3631 33.671   2.7024  59.290  4.2844 55.671  5.1852 3.619240       6.726207 
1 1 1 30 9  13 o 60.910  3.3225 37.669   2.8551  61.695  4.4917 60.125  4.8970 1.569725       6.645028 
1 1 1 30 9  15 o 115.709 2.0859 134.726  3.3974  114.878 3.1158 116.540 2.7742 -1.661407      4.171851 
1 1 1 30 9  17 o 114.940 2.3436 133.055  3.8025  117.281 3.3966 112.599 3.2302 4.681976       4.687274 
1 1 1 30 9  19 o 89.568  2.7025 80.031   3.0937  92.328  4.6272 86.807  2.7933 5.521820       5.404916 
1 1 1 30 9  21 o 20.809  5.7085 2.9764   2.3811  20.252  8.8222 21.366  7.2467 -1.113434      11.41693 
1 1 1 30 9  23 o 24.066  6.3553 5.3713   2.8911  23.678  9.6246 24.455  8.3022 -0.7770271     12.71061 
1 1 1 30 9  25 o 18.072  5.7350 -0.5011  2.6666  20.137  9.1930 16.007  6.8590 4.129456       11.46990 
1 1 1 30 9  27 o 42.089  5.1622 19.380   2.8463  48.322  8.0048 35.856  6.5203 12.46566       10.32436 
1 1 1 30 9  29 f 21.677  6.4894 4.0403   2.9626  25.125  10.597 18.230  7.4931 6.894661       12.97887 
1 1 1 30 9  31 o 21.424  6.4859 3.3113   3.0148  27.897  11.042 14.950  6.8082 12.94742       12.97179 
1 1 1 30 10 0  o 11.397  7.7046 -1.8474  4.9650  11.397  7.7046 ?       ?      0.000000       0.000000 
1 1 1 30 10 2  o 27.680  5.7022 7.9476   2.5298  23.102  8.8701 32.257  7.1682 -9.155209      11.40447 
1 1 1 30 10 4  o 51.943  3.6571 27.369   2.6818  51.808  5.3489 52.078  4.9886 -0.2699966     7.314171 
1 1 1 30 10 6  o 69.297  2.7853 48.444   2.6827  69.192  4.3388 69.402  3.4938 -0.2098618     5.570602 
1 1 1 30 10 8  o 42.443  3.9944 18.359   2.3928  42.413  5.8531 42.472  5.4372 -0.5867767E-01 7.988842 
1 1 1 30 10 10 o 28.426  6.0029 8.3305   2.7420  33.597  8.2886 23.256  8.6855 10.34123       12.00576 
1 1 1 30 10 12 f 71.413  3.0065 51.503   3.0241  76.385  4.1569 66.440  4.3447 9.944908       6.012990 
1 1 1 30 10 14 o 164.021 2.2800 271.055  5.1085  163.387 3.6748 164.655 2.6998 -1.268723      4.559963 
1 1 1 30 10 16 o 124.986 2.2792 156.388  3.8421  127.271 3.7197 122.702 2.6348 4.568779       4.558326 
1 1 1 30 10 18 o 117.021 2.1403 137.621  3.3666  118.270 3.5146 115.771 2.4435 2.498520       4.280560 
1 1 1 30 10 20 o 61.934  3.4427 38.006   2.7039  65.731  5.8847 58.137  3.5749 7.593807       6.885475 
1 1 1 30 10 22 o 26.182  6.1095 7.0728   2.6827  30.966  9.0998 21.398  8.1546 9.568176       12.21894 
1 1 1 30 10 24 f 18.489  5.2896 0.3659   2.4754  15.308  7.2960 21.670  7.6607 -6.361804      10.57913 
1 1 1 30 10 26 o 29.883  6.4848 10.855   2.8618  30.066  10.539 29.700  7.5597 0.3662529      12.96964 
1 1 1 30 10 28 o 33.986  6.1402 15.310   3.1402  26.977  10.684 40.994  6.0557 -14.01725      12.28045 
1 1 1 30 10 30 o 18.277  5.3287 1.2701   2.4632  16.345  7.8441 20.210  7.2147 -3.864508      10.65747 
1 1 1 30 10 32 o 21.822  6.5874 5.5009   3.4510  22.194  10.169 21.450  8.3765 0.7442474      13.17482 
1 1 1 30 11 1  o 22.347  6.0588 3.5794   2.7134  20.820  8.4125 23.874  8.7216 -3.054098      12.11761 
1 1 1 30 11 3  o 19.951  5.5892 2.1347   2.3318  16.980  7.1575 22.923  8.5863 -5.943079      11.17834 
1 1 1 30 11 5  o 21.392  5.4054 2.3492   2.4234  15.114  6.9154 27.670  8.3095 -12.55609      10.81072 
1 1 1 30 11 7  o 61.266  3.0511 38.154   2.6240  63.975  3.9706 58.557  4.6338 5.418106       6.102266 
1 1 1 30 11 9  o 52.830  3.7971 28.496   2.8277  54.435  5.0908 51.225  5.6352 3.209774       7.594171 
1 1 1 30 11 11 o 36.928  5.4341 14.875   2.8575  26.845  8.9673 47.010  6.1405 -20.16417      10.86824 
1 1 1 30 11 13 o 52.493  4.1036 28.422   2.8074  51.158  6.9968 53.829  4.2901 -2.670845      8.207298 
1 1 1 30 11 15 o 83.505  2.8977 71.082   3.2489  81.872  4.7951 85.139  3.2549 -3.267136      5.795399 
1 1 1 30 11 17 o 69.308  3.3474 50.310   2.9636  65.525  5.8151 73.090  3.3175 -7.565979      6.694870 
1 1 1 30 11 19 o 27.946  6.3052 7.2989   2.7689  36.398  10.005 19.495  7.6762 16.90294       12.61038 
1 1 1 30 11 21 o 28.493  6.2944 8.7341   3.0010  24.432  10.161 32.553  7.4318 -8.120993      12.58871 
1 1 1 30 11 23 o 17.702  5.5608 -0.8467  2.7122  20.279  8.7078 15.125  6.9184 5.154346       11.12163 
1 1 1 30 11 25 o 29.556  5.9020 10.467   2.5884  27.734  9.1485 31.379  7.4590 -3.644960      11.80391 
1 1 1 30 11 27 o 17.781  5.6019 -0.7733  2.7735  22.133  9.1929 13.429  6.4043 8.704464       11.20378 
1 1 1 30 11 29 o 26.182  6.1370 8.9897   2.5980  25.112  9.8851 27.252  7.2757 -2.139681      12.27405 
1 1 1 30 11 31 o 19.312  6.2666 0.6772   3.7244  23.895  10.317 14.729  7.1163 9.165815       12.53323 
1 1 1 30 12 0  o 15.263  9.2381 2.5402   5.0804  15.263  9.2381 ?       ?      0.000000       0.000000 
1 1 1 30 12 2  o 79.012  2.6610 62.957   2.9707  79.613  3.8433 78.412  3.6814 1.201431       5.322000 
1 1 1 30 12 4  o 103.941 2.1005 108.165  3.0668  100.547 2.8135 107.335 3.1196 -6.788513      4.200946 
1 1 1 30 12 6  o 91.110  2.2443 83.668   2.8855  89.134  3.3033 93.086  3.0390 -3.952660      4.488561 
1 1 1 30 12 8  o 70.275  3.3395 49.833   3.2892  72.683  5.0041 67.867  4.4235 4.815567       6.678928 
1 1 1 30 12 10 o 27.901  5.5526 7.6528   2.7331  20.128  8.7169 35.675  6.8806 -15.54673      11.10523 
1 1 1 30 12 12 o 64.940  2.9705 42.430   2.6532  66.332  4.6999 63.547  3.6340 2.784397       5.940958 
1 1 1 30 12 14 f 72.591  2.7858 53.024   2.8225  74.838  4.2429 70.344  3.6111 4.493515       5.571565 
1 1 1 30 12 16 o 51.711  4.6906 27.691   2.8206  51.777  8.4742 51.645  4.0243 0.1314621      9.381169 
1 1 1 30 12 18 f 56.016  3.7481 31.054   2.7689  61.263  6.1254 50.769  4.3212 10.49347       7.496205 
1 1 1 30 12 20 o 32.112  6.2022 11.907   2.9369  27.982  10.386 36.242  6.7823 -8.260553      12.40439 
1 1 1 30 12 22 o 20.441  6.1730 1.5041   2.9837  21.334  9.5556 19.548  7.8176 1.785894       12.34603 
1 1 1 30 12 24 o 16.666  5.5763 -3.6179  2.9251  19.352  9.0632 13.980  6.4990 5.371508       11.15254 
1 1 1 30 12 26 o 16.709  5.5411 -2.8844  2.8147  21.207  9.3795 12.211  5.9025 8.996209       11.08218 
1 1 1 30 12 28 o 45.760  5.3796 23.986   3.0396  50.237  9.1909 41.284  5.5937 8.952457       10.75927 
1 1 1 30 12 30 o 20.979  6.3698 4.8304   3.0784  24.672  10.285 17.286  7.5184 7.386803       12.73958 
1 1 1 30 13 1  o 82.352  2.5030 68.322   2.9129  80.515  3.5135 84.190  3.5658 -3.675163      5.005980 
1 1 1 30 13 3  o 107.740 2.2354 116.536  3.3905  105.243 3.0171 110.237 3.2994 -4.994560      4.470869 
1 1 1 30 13 5  o 133.510 1.8526 179.223  3.4907  135.600 2.5119 131.420 2.7236 4.180649       3.705146 
1 1 1 30 13 7  o 86.090  2.6354 74.819   3.0296  85.783  4.3745 86.398  2.9402 -0.6145477     5.270767 
1 1 1 30 13 9  o 141.010 2.2672 197.750  4.0200  143.844 3.9333 138.175 2.2562 5.668671       4.534436 
1 1 1 30 13 11 o 74.463  2.6401 54.609   2.6256  79.206  4.3004 69.720  3.0638 9.486130       5.280200 
1 1 1 30 13 13 o 20.913  5.9331 2.6130   2.5540  23.145  9.1964 18.682  7.4990 4.462822       11.86624 
1 1 1 30 13 15 o 46.310  4.1191 22.450   2.6444  43.462  6.5089 49.159  5.0499 -5.697495      8.238168 
1 1 1 30 13 17 o 73.915  2.7245 56.549   2.7279  69.540  4.4831 78.290  3.0972 -8.749916      5.448912 
1 1 1 30 13 19 o 68.509  3.4676 47.925   3.0164  69.449  5.9853 67.570  3.5031 1.878448       6.935103 
1 1 1 30 13 21 o 39.168  5.9777 17.105   2.9691  39.928  10.333 38.408  6.0125 1.519932       11.95536 
1 1 1 30 13 23 o 17.575  5.6698 -2.3709  2.9326  18.198  8.7553 16.953  7.2061 1.244871       11.33950 
1 1 1 30 13 25 o 24.916  6.4753 7.2994   3.0121  23.595  10.151 26.238  8.0418 -2.643402      12.95055 
1 1 1 30 13 27 o 21.331  6.3370 4.2632   3.1245  21.856  9.6858 20.806  8.1742 1.050037       12.67404 
1 1 1 30 13 29 o 16.360  5.4685 -3.5537  3.3063  16.450  8.1020 16.269  7.3468 0.1810951      10.93698 
1 1 1 30 14 0  o 178.990 2.8723 321.453  10.276  178.990 2.8723 ?       ?      0.000000       0.000000 
1 1 1 30 14 2  o 251.807 2.1237 637.545  7.5612  249.673 2.9829 253.940 3.0237 -4.266647      4.247400 
1 1 1 30 14 4  o 188.628 2.1017 358.865  5.5375  185.196 3.2421 192.060 2.6753 -6.863327      4.203349 
1 1 1 30 14 6  o 26.918  5.7287 7.3644   2.1966  29.374  9.2029 24.462  6.8249 4.911921       11.45744 
1 1 1 30 14 8  o 30.522  5.8169 8.9915   2.5058  39.749  8.9328 21.295  7.4531 18.45358       11.63374 
1 1 1 30 14 10 o 63.978  3.2681 41.452   2.6452  64.200  5.6653 63.757  3.2598 0.4434433      6.536218 
1 1 1 30 14 12 o 123.694 2.2087 154.886  3.6437  122.526 3.6752 124.862 2.4506 -2.335831      4.417302 
1 1 1 30 14 14 o 70.950  3.2533 51.751   3.0483  69.559  5.4778 72.342  3.5114 -2.782791      6.506678 
1 1 1 30 14 16 o 39.678  4.8799 16.815   2.5942  40.280  7.8773 39.076  5.7620 1.203743       9.759771 
1 1 1 30 14 18 o 55.350  3.8849 31.051   2.7039  57.648  6.7098 53.051  3.9176 4.596466       7.769769 
1 1 1 30 14 20 o 58.315  3.6527 34.495   2.8145  62.468  6.0072 54.162  4.1571 8.305683       7.305331 
1 1 1 30 14 22 o 34.151  6.4139 12.937   2.7554  38.978  10.762 29.325  6.9814 9.652643       12.82770 
1 1 1 30 14 24 o 24.901  6.9479 6.2241   3.3063  31.823  11.530 17.978  7.7555 13.84507       13.89590 
1 1 1 30 14 26 o 20.710  6.1745 1.1199   3.0756  28.227  10.588 13.193  6.3551 15.03392       12.34899 
1 1 1 30 14 28 o 15.304  5.2526 -5.3499  3.1560  16.778  8.2388 13.831  6.5177 2.946687       10.50513 
1 1 1 30 15 1  f 113.716 2.0287 129.946  3.2555  112.501 2.7711 114.931 2.9637 -2.430008      4.057412 
1 1 1 30 15 3  o 123.542 2.0260 152.962  3.4611  125.316 3.1788 121.768 2.5128 3.548347       4.052040 
1 1 1 30 15 5  o 65.364  3.2398 42.360   2.8911  70.505  5.0768 60.223  4.0263 10.28202       6.479547 
1 1 1 30 15 7  o 93.664  2.4756 87.363   3.0588  96.480  4.1289 90.848  2.7326 5.632195       4.951209 
1 1 1 30 15 9  o 79.834  3.3804 65.439   3.2570  78.519  6.0292 81.149  3.0592 -2.629311      6.760871 
1 1 1 30 15 11 o 100.427 2.6357 104.211  3.4861  95.630  4.4674 105.225 2.7981 -9.595390      5.271393 
1 1 1 30 15 13 o 60.708  3.4982 38.173   2.8123  58.862  5.8849 62.554  3.7840 -3.692436      6.996418 
1 1 1 30 15 15 o 51.498  4.1961 28.298   2.8719  48.226  7.0629 54.769  4.5326 -6.542820      8.392255 
1 1 1 30 15 17 o 42.117  4.9493 19.176   2.8085  42.344  7.9285 41.890  5.9262 0.4539413      9.898535 
1 1 1 30 15 19 o 41.243  4.9489 17.787   2.7035  49.950  7.0504 32.536  6.9469 17.41370       9.897839 
1 1 1 30 15 21 o 29.604  6.7280 10.430   3.0416  31.958  10.564 27.251  8.3349 4.706566       13.45605 
1 1 1 30 15 23 o 40.580  6.2502 20.781   3.1166  37.394  11.270 43.765  5.4085 -6.370781      12.50035 
1 1 1 30 15 25 o 21.643  6.3750 4.6075   3.0784  22.499  9.8482 20.788  8.0977 1.710972       12.74990 
1 1 1 30 15 27 o 16.772  5.3599 -2.6140  2.9439  15.631  7.7716 17.913  7.3836 -2.281688      10.71987 
1 1 1 30 16 0  o 48.799  6.9495 25.056   6.5815  48.799  6.9495 ?       ?      0.000000       0.000000 
1 1 1 30 16 2  f 76.145  2.6152 56.074   2.5497  82.458  4.4109 69.832  2.8109 12.62556       5.230419 
1 1 1 30 16 4  o 94.029  2.4847 87.534   3.1449  99.047  4.0219 89.010  2.9187 10.03694       4.969323 
1 1 1 30 16 6  f 103.013 2.3385 106.334  3.2685  105.350 3.7812 100.676 2.7525 4.674278       4.676980 
1 1 1 30 16 8  o 67.511  3.3309 44.349   2.9854  75.894  5.3249 59.129  4.0031 16.76439       6.661815 
1 1 1 30 16 10 o 52.059  4.4872 28.904   2.8618  49.168  7.9845 54.951  4.0974 -5.783092      8.974478 
1 1 1 30 16 12 o 81.048  2.8566 67.123   2.9979  80.429  4.8811 81.666  2.9691 -1.236862      5.713182 
1 1 1 30 16 14 o 49.575  4.6931 25.091   3.0922  53.697  7.6335 45.453  5.4616 8.244102       9.386160 
1 1 1 30 16 16 o 77.450  3.2708 61.603   3.3617  78.456  5.4453 76.444  3.6251 2.012383       6.541595 
1 1 1 30 16 18 o 92.178  2.8753 87.128   3.4748  92.884  4.8481 91.473  3.0926 1.411453       5.750504 
1 1 1 30 16 20 o 41.773  5.7121 19.739   3.0470  43.321  9.7044 40.224  6.0281 3.097099       11.42421 
1 1 1 30 16 22 o 24.171  6.5693 6.2255   2.6461  29.372  10.971 18.969  7.2284 10.40276       13.13852 
1 1 1 30 16 24 o 15.989  5.3549 -4.3061  3.1379  16.373  8.0221 15.604  7.0953 0.7685499      10.70971 
1 1 1 30 16 26 o 23.081  6.7164 6.0553   3.3362  27.926  10.833 18.237  7.9431 9.688200       13.43288 
1 1 1 30 17 1  o 90.418  2.2270 82.955   2.8183  93.030  2.8547 87.807  3.4189 5.222603       4.454018 
1 1 1 30 17 3  o 109.452 2.4799 119.655  3.5697  112.733 4.1481 106.171 2.7188 6.562347       4.959744 
1 1 1 30 17 5  o 104.860 2.2014 111.121  3.0895  104.555 3.6443 105.165 2.4704 -0.6103363     4.402710 
1 1 1 30 17 7  o 69.593  3.5886 51.327   3.0628  65.067  6.3883 74.119  3.2714 -9.051590      7.177267 
1 1 1 30 17 9  o 84.940  2.7203 72.609   3.0146  86.726  4.5932 83.154  2.9160 3.571861       5.440660 
1 1 1 30 17 11 o 90.042  2.8058 82.644   3.2474  89.915  4.8156 90.169  2.8812 -0.2538147     5.611693 
1 1 1 30 17 13 o 90.741  2.8510 83.337   3.4399  92.872  4.7244 88.611  3.1925 4.261101       5.701942 
1 1 1 30 17 15 o 97.330  2.5731 95.431   3.2176  99.868  4.3935 94.792  2.6798 5.075768       5.146242 
1 1 1 30 17 17 o 103.021 2.4101 108.450  3.3677  103.054 3.9215 102.988 2.8029 0.6573486E-01  4.820191 
1 1 1 30 17 19 o 69.031  3.5488 50.957   3.0315  67.332  6.2592 70.730  3.3466 -3.397682      7.097672 
1 1 1 30 17 21 o 33.747  6.2120 15.259   3.2921  25.908  10.819 41.586  6.1083 -15.67791      12.42399 
1 1 1 30 17 23 o 27.871  6.5297 10.578   3.1936  24.323  10.508 31.419  7.7545 -7.095333      13.05950 
1 1 1 30 17 25 o 19.047  6.0883 1.4922   3.2144  22.054  9.7407 16.039  7.3067 6.014969       12.17654 
1 1 1 30 18 0  o 46.340  5.7756 22.054   5.4268  46.340  5.7756 ?       ?      0.000000       0.000000 
1 1 1 30 18 2  o 57.566  3.2095 34.016   2.5967  54.830  4.8435 60.302  4.2125 -5.472115      6.419038 
1 1 1 30 18 4  o 80.135  2.7490 65.309   2.9509  80.021  4.5452 80.250  3.0935 -0.2283401     5.498037 
1 1 1 30 18 6  o 53.550  4.2399 31.089   2.8677  48.875  7.4417 58.224  4.0654 -9.348606      8.479719 
1 1 1 30 18 8  o 95.171  2.6582 90.797   3.3087  98.231  4.4667 92.112  2.8831 6.118599       5.316341 
1 1 1 30 18 10 o 102.888 2.6377 108.493  3.4639  101.277 4.5603 104.500 2.6518 -3.222305      5.275302 
1 1 1 30 18 12 o 28.802  6.3200 9.2903   3.0756  24.271  10.091 33.332  7.6118 -9.061403      12.64003 
1 1 1 30 18 14 o 55.084  4.3855 33.275   2.9391  51.576  7.8355 58.591  3.9414 -7.014309      8.770947 
1 1 1 30 18 16 o 70.608  3.5313 51.966   3.3013  71.518  5.8928 69.699  3.8931 1.819504       7.062695 
1 1 1 30 18 18 o 76.685  3.2012 61.247   3.1860  78.817  5.4204 74.554  3.4072 4.262703       6.402344 
1 1 1 30 18 20 o 62.713  4.2967 43.398   3.3402  61.863  7.5592 63.564  4.0871 -1.701649      8.593378 
1 1 1 30 18 22 o 30.525  6.3121 12.926   2.9866  25.947  10.826 35.103  6.4941 -9.155506      12.62425 
1 1 1 30 18 24 o 34.738  5.9332 16.705   2.7997  30.171  10.472 39.305  5.5816 -9.133400      11.86640 
1 1 1 30 19 1  o 48.112  3.5805 24.086   2.3928  54.354  4.5673 41.870  5.5154 12.48431       7.160986 
1 1 1 30 19 3  o 77.616  2.6491 61.679   2.8855  82.033  3.4485 73.199  4.0224 8.834091       5.298288 
1 1 1 30 19 5  o 68.880  3.4234 48.124   3.2631  79.663  4.7106 58.096  4.9687 21.56712       6.846714 
1 1 1 30 19 7  o 50.471  5.0026 28.093   3.0756  47.307  8.8702 53.636  4.6284 -6.329041      10.00510 
1 1 1 30 19 9  o 41.216  5.2783 18.381   2.8911  43.618  8.5099 38.815  6.2469 4.802406       10.55666 
1 1 1 30 19 11 o 47.079  4.7770 25.651   2.6256  40.350  8.6901 53.808  3.9699 -13.45784      9.553965 
1 1 1 30 19 13 o 24.654  5.7714 5.8082   2.7921  18.780  8.4269 30.528  7.8883 -11.74853      11.54286 
1 1 1 30 19 15 o 62.847  3.8775 42.862   2.9691  60.175  6.9077 65.518  3.5247 -5.342701      7.754972 
1 1 1 30 19 17 o 28.463  6.6410 10.601   3.0491  29.202  10.079 27.723  8.6497 1.479307       13.28200 
1 1 1 30 19 19 o 16.876  5.6129 -2.7742  3.1366  19.189  8.9062 14.562  6.8337 4.626616       11.22585 
1 1 1 30 19 21 o 30.871  6.9365 12.960   3.1557  34.912  11.070 26.831  8.3612 8.081469       13.87295 
1 1 1 30 19 23 o 17.871  5.7231 1.3141   2.8591  20.717  9.1656 15.024  6.8563 5.693191       11.44625 
1 1 1 30 20 0  o 16.571  9.6562 3.9258   5.1959  16.571  9.6562 ?       ?      0.000000       0.000000 
1 1 1 30 20 2  o 70.914  2.9071 51.663   2.9152  71.424  4.1223 70.404  4.1001 1.019821       5.814135 
1 1 1 30 20 4  o 93.936  2.4144 90.036   3.2039  95.827  3.3135 92.045  3.5124 3.782173       4.828744 
1 1 1 30 20 6  o 69.591  3.4354 50.804   3.2631  67.319  5.5744 71.863  4.0168 -4.544937      6.870848 
1 1 1 30 20 8  o 19.475  6.0964 0.0472   3.1366  20.980  9.4098 17.969  7.7536 3.010731       12.19277 
1 1 1 30 20 10 o 25.656  6.6646 6.7375   3.0895  30.267  10.404 21.044  8.3321 9.222916       13.32917 
1 1 1 30 20 12 o 34.098  5.9658 13.574   2.8127  38.741  8.8357 29.455  8.0184 9.286161       11.93167 
1 1 1 30 20 14 o 20.870  6.0711 3.5010   2.8147  20.936  9.3041 20.803  7.8018 0.1327877      12.14224 
1 1 1 30 20 16 o 16.162  5.3642 -3.6012  3.0146  16.636  8.0228 15.687  7.1229 0.9490643      10.72846 
1 1 1 30 20 18 f 21.413  6.0467 4.3294   2.7670  20.610  9.4240 22.216  7.5788 -1.605564      12.09340 
1 1 1 30 20 20 o 21.177  6.3327 3.4691   3.0010  26.626  10.490 15.727  7.0976 10.89915       12.66546 
1 1 1 30 20 22 o 23.608  6.2700 7.4761   3.2020  20.086  9.2576 27.130  8.4586 -7.043667      12.53995 
1 1 1 30 21 1  f 101.916 2.1455 105.768  3.0863  100.818 3.1495 103.014 2.9142 -2.196373      4.290944 
1 1 1 30 21 3  o 77.671  2.7604 62.131   3.0307  78.436  3.8274 76.906  3.9787 1.530396       5.520778 
1 1 1 30 21 5  o 41.575  5.2277 19.528   2.9707  38.120  8.2596 45.030  6.4104 -6.910328      10.45532 
1 1 1 30 21 7  o 24.282  6.0357 6.1196   2.7134  20.310  8.3382 28.253  8.7288 -7.943693      12.07137 
1 1 1 30 21 9  o 44.998  5.5366 22.865   3.3860  51.616  7.7177 38.380  7.9406 13.23611       11.07316 
1 1 1 30 21 11 o 32.876  5.4691 11.544   2.9882  48.032  7.8126 17.719  7.6555 30.31343       10.93819 
1 1 1 30 21 13 o 39.215  6.1968 18.531   3.1698  44.504  9.7373 33.926  7.6672 10.57824       12.39358 
1 1 1 30 21 15 o 23.850  6.6243 6.5404   3.1234  24.412  10.350 23.288  8.2703 1.123650       13.24857 
1 1 1 30 21 17 f 19.349  5.8175 2.1535   2.9393  17.294  8.0086 21.404  8.4400 -4.109865      11.63492 
1 1 1 30 21 19 o 20.828  6.4047 4.0599   3.1287  22.798  10.230 18.858  7.7089 3.939808       12.80934 
1 1 1 30 21 21 o 21.455  6.4117 4.1348   3.0937  27.671  10.755 15.238  6.9835 12.43328       12.82336 
1 1 1 30 22 0  o 43.948  6.4104 20.899   5.4268  43.948  6.4104 ?       ?      0.000000       0.000000 
1 1 1 30 22 2  o 21.381  6.0665 3.8603   2.7997  20.583  8.4344 22.179  8.7219 -1.596773      12.13305 
1 1 1 30 22 4  o 47.241  4.0702 24.609   2.6240  41.071  6.6066 53.410  4.7561 -12.33889      8.140461 
1 1 1 30 22 6  f 22.390  6.2506 5.0132   2.9505  23.267  8.6863 21.514  8.9903 1.753494       12.50112 
1 1 1 30 22 8  o 37.367  5.2527 16.852   2.7347  27.321  8.5614 47.413  6.0883 -20.09126      10.50542 
1 1 1 30 22 10 o 29.818  5.6667 11.171   2.9477  20.755  8.9672 38.881  6.9309 -18.12615      11.33350 
1 1 1 30 22 12 o 20.644  6.3267 1.6703   3.0608  26.846  10.716 14.443  6.7281 12.40370       12.65339 
1 1 1 30 22 14 o 19.128  6.0491 1.3532   3.1682  21.593  9.4780 16.663  7.5190 4.930347       12.09826 
1 1 1 30 22 16 o 25.221  7.0549 7.6136   3.4959  31.402  11.515 19.040  8.1538 12.36265       14.10980 
1 1 1 30 22 18 o 17.010  5.6095 -1.8862  3.4141  16.457  8.0537 17.562  7.8104 -1.104717      11.21893 
1 1 1 30 23 1  o 27.053  6.3397 9.4104   2.8289  26.384  8.9674 27.722  8.9639 -1.337879      12.67934 
1 1 1 30 23 3  o 47.667  4.7488 25.980   3.1753  44.155  7.1912 51.180  6.2042 -7.024651      9.497621 
1 1 1 30 23 5  o 58.356  3.7792 37.000   3.1079  57.652  5.1071 59.060  5.5719 -1.408184      7.558347 
1 1 1 30 23 7  o 31.142  6.2982 12.620   3.0307  35.839  8.4953 26.445  9.3006 9.393482       12.59643 
1 1 1 30 23 9  o 21.322  5.6817 4.7603   2.4562  19.252  8.3694 23.393  7.6863 -4.141153      11.36339 
1 1 1 30 23 11 o 25.428  6.7385 6.4698   3.2150  34.976  11.386 15.881  7.2101 19.09419       13.47707 
1 1 1 30 23 13 o 30.787  5.8561 12.571   3.3723  21.219  9.6885 40.355  6.5808 -19.13566      11.71215 
1 1 1 30 23 15 o 35.093  6.3879 18.889   3.5115  26.844  11.061 43.343  6.3936 -16.49851      12.77571 
1 1 1 30 23 17 o 25.732  7.2933 9.9017   3.5919  29.280  11.795 22.185  8.5818 7.094929       14.58661 
1 1 1 30 24 0  o 51.726  6.0558 29.443   6.1196  51.726  6.0558 ?       ?      0.000000       0.000000 
1 1 1 30 24 2  o 67.248  3.3246 48.789   3.1461  71.494  4.4413 63.003  4.9483 8.491135       6.649103 
1 1 1 30 24 4  o 56.790  3.8247 36.045   3.0010  50.479  6.0616 63.102  4.6660 -12.62300      7.649458 
1 1 1 30 24 6  o 29.411  6.5806 12.107   3.2165  33.330  8.8547 25.492  9.7373 7.838377       13.16130 
1 1 1 30 24 8  o 21.688  6.3064 4.7424   3.1742  24.082  9.3567 19.294  8.4576 4.787880       12.61270 
1 1 1 30 24 10 o 20.376  5.9094 2.9355   2.9921  16.709  7.7873 24.044  8.8904 -7.334635      11.81871 
1 1 1 30 24 12 o 21.460  6.5536 5.2281   3.4496  22.493  10.100 20.427  8.3542 2.066000       13.10721 
1 1 1 30 24 14 o 19.456  5.9501 1.6289   3.2827  17.824  8.6980 21.087  8.1217 -3.262577      11.90029 
1 1 1 30 25 1  o 54.731  4.0022 33.744   3.0587  59.019  5.0866 50.443  6.1803 8.575783       8.004395 
1 1 1 30 25 3  o 65.107  3.4482 46.132   3.1711  62.969  4.8592 67.244  4.8937 -4.274765      6.896410 
1 1 1 30 25 5  o 52.924  3.8578 31.256   2.8855  51.411  5.5025 54.438  5.4087 -3.026390      7.715623 
1 1 1 30 25 7  o 28.902  6.3282 11.866   2.8505  30.821  9.1133 26.982  8.7824 3.839397       12.65638 
1 1 1 30 25 9  o 32.974  6.3277 16.270   3.1490  37.828  7.8895 28.121  9.8951 9.706987       12.65533 
1 1 1 30 25 11 o 19.206  5.7814 3.3136   2.7699  20.063  8.3006 18.348  8.0497 1.714603       11.56276 
1 1 1 30 26 0  o 9.4350  6.8320 -8.0825  6.2351  9.4350  6.8320 ?       ?      0.000000       0.000000 
1 1 1 30 26 2  o 18.236  5.7528 1.8199   3.0241  16.791  7.6637 19.680  8.5818 -2.888819      11.50563 
1 1 1 30 26 4  f 17.429  5.6537 -1.0382  3.2555  14.338  6.9517 20.521  8.9180 -6.182968      11.30740 
1 1 1 30 26 6  o 16.941  5.5100 -0.5311  3.0307  17.720  8.0293 16.163  7.5480 1.556709       11.02009 
1 1 1 31 1  0  f 179.261 2.6422 322.031  9.4681  179.261 2.6422 ?       ?      0.000000       0.000000 
1 1 1 31 1  2  o 170.030 1.9482 290.004  4.6585  170.200 2.9171 169.861 2.5831 0.3391724      3.896422 
1 1 1 31 1  4  o 109.534 2.1288 120.619  3.2867  107.805 3.1596 111.262 2.8539 -3.456749      4.257651 
1 1 1 31 1  6  o 61.027  3.3304 37.739   2.8435  62.206  4.2691 59.847  5.1127 2.359135       6.660726 
1 1 1 31 1  8  o 72.597  3.1413 53.340   2.7450  73.045  2.8453 72.148  5.6014 0.8974686      6.282600 
1 1 1 31 1  10 o 69.510  3.5894 48.832   3.2311  69.201  3.7542 69.820  6.1189 -0.6185074     7.178785 
1 1 1 31 1  12 o 78.832  2.9335 62.607   2.9695  78.521  3.0145 79.142  5.0334 -0.6204147     5.867056 
1 1 1 31 1  14 o 81.383  2.9501 63.643   3.0396  73.977  3.1216 88.789  5.0067 -14.81146      5.900138 
1 1 1 31 1  16 o 117.387 2.4278 138.314  3.8630  116.233 2.8312 118.542 3.9449 -2.308960      4.855660 
1 1 1 31 1  18 o 122.011 2.2768 149.065  3.5269  120.703 2.2958 123.318 3.9325 -2.614944      4.553636 
1 1 1 31 1  20 o 95.418  2.7489 91.968   3.4575  94.387  2.9971 96.449  4.6091 -2.062042      5.497825 
1 1 1 31 1  22 o 90.170  2.8732 81.685   3.5658  84.853  3.6060 95.487  4.4741 -10.63425      5.746402 
1 1 1 31 1  24 o 20.453  6.1768 0.9738   3.1880  20.925  8.4823 19.981  8.9812 0.9441071      12.35361 
1 1 1 31 1  26 o 28.343  6.5739 9.0156   3.3250  32.633  8.1529 24.053  10.315 8.580578       13.14785 
1 1 1 31 1  28 o 21.539  7.0027 1.8061   3.2835  15.325  6.8784 27.754  12.200 -12.42947      14.00533 
1 1 1 31 1  30 o 22.507  6.2046 5.2883   3.0483  24.908  8.4975 20.107  9.0433 4.801357       12.40921 
1 1 1 31 1  32 o 21.418  6.4099 5.1491   3.3236  20.226  8.6117 22.610  9.4967 -2.384718      12.81985 
1 1 1 31 2  1  o 83.400  2.4480 69.893   2.8855  81.055  3.4901 85.745  3.4338 -4.689888      4.896097 
1 1 1 31 2  3  o 143.502 1.9105 206.940  3.8646  140.471 2.8358 146.533 2.5609 -6.062134      3.821034 
1 1 1 31 2  5  o 125.757 1.8845 159.742  3.3073  120.476 2.9231 131.038 2.3791 -10.56210      3.768937 
1 1 1 31 2  7  o 77.967  2.4087 61.125   2.6544  78.364  3.4626 77.569  3.3492 0.7950974      4.817311 
1 1 1 31 2  9  o 59.755  3.0739 36.024   2.5928  58.671  4.2312 60.839  4.4600 -2.168041      6.147746 
1 1 1 31 2  11 o 80.660  3.2215 65.459   3.1800  80.122  3.0263 81.198  5.6880 -1.076569      6.443008 
1 1 1 31 2  13 o 19.291  5.8323 0.7710   2.4236  16.229  6.7294 22.352  9.5277 -6.123320      11.66456 
1 1 1 31 2  15 o 52.922  4.7745 30.406   3.1299  58.868  4.5112 46.975  8.4161 11.89341       9.548918 
1 1 1 31 2  17 o 101.404 2.6772 103.465  3.5528  100.671 2.8674 102.137 4.5219 -1.466682      5.354425 
1 1 1 31 2  19 o 67.348  3.7140 47.622   3.0784  70.744  3.4275 63.953  6.5900 6.790909       7.428011 
1 1 1 31 2  21 o 135.758 2.4258 188.131  4.4556  139.592 2.7710 131.923 3.9823 7.668198       4.851533 
1 1 1 31 2  23 o 80.754  3.2667 65.963   3.5181  77.742  3.7131 83.767  5.3758 -6.025276      6.533451 
1 1 1 31 2  25 f 14.026  4.8984 -10.2460 3.0628  12.125  5.9369 15.927  7.7929 -3.802608      9.796709 
1 1 1 31 2  27 o 29.817  6.8637 10.892   3.2051  28.687  8.5904 30.947  10.707 -2.260199      13.72732 
1 1 1 31 2  29 o 26.917  6.3231 8.9747   2.6452  25.607  7.5856 28.228  10.119 -2.621649      12.64620 
1 1 1 31 2  31 o 24.518  6.6405 7.7506   3.2072  22.031  8.8205 27.005  9.9291 -4.973225      13.28108 
1 1 1 31 2  33 o 15.747  5.3077 -3.5922  3.1402  15.075  6.9713 16.418  8.0055 -1.343813      10.61547 
1 1 1 31 3  0  o 51.404  4.0940 27.019   4.1567  51.404  4.0940 ?       ?      0.000000       0.000000 
1 1 1 31 3  2  f 47.791  3.9000 23.102   2.6189  51.983  5.3308 43.598  5.6941 8.385429       7.800012 
1 1 1 31 3  4  o 116.459 2.0740 136.456  3.4052  112.659 3.0747 120.259 2.7844 -7.600243      4.148091 
1 1 1 31 3  6  o 131.783 1.9056 174.315  3.5503  130.794 2.7367 132.773 2.6524 -1.978973      3.811113 
1 1 1 31 3  8  o 45.533  3.9420 20.980   2.5284  47.891  5.6658 43.175  5.4824 4.716175       7.884070 
1 1 1 31 3  10 o 109.869 2.1716 121.814  3.3236  107.690 3.3774 112.048 2.7308 -4.357689      4.343286 
1 1 1 31 3  12 o 77.330  2.6569 60.630   2.8855  81.450  3.4731 73.211  4.0218 8.239822       5.313866 
1 1 1 31 3  14 o 61.891  3.7924 39.439   2.9695  63.466  3.7296 60.315  6.6045 3.150692       7.584795 
1 1 1 31 3  16 o 89.993  3.0808 83.075   3.5252  92.588  3.0553 87.398  5.3506 5.190231       6.161514 
1 1 1 31 3  18 f 104.909 2.5811 112.481  3.6054  108.233 2.8270 101.585 4.3192 6.648254       5.162127 
1 1 1 31 3  20 o 71.619  3.4591 52.498   3.2144  71.745  3.6211 71.493  5.8950 0.2521820      6.918297 
1 1 1 31 3  22 o 59.842  4.5578 38.389   3.5424  62.830  4.6862 56.855  7.8189 5.975368       9.115665 
1 1 1 31 3  24 o 19.998  6.2289 -0.1195  3.0463  15.193  6.9365 24.803  10.348 -9.610691      12.45771 
1 1 1 31 3  26 o 22.470  6.5512 3.5675   3.2489  19.619  8.2672 25.320  10.165 -5.700453      13.10244 
1 1 1 31 3  28 o 17.017  5.5808 -2.6455  3.2044  17.130  7.7435 16.904  8.0385 0.2263622      11.16151 
1 1 1 31 3  30 o 40.487  5.9841 21.596   3.0164  46.228  5.1203 34.747  10.818 11.48175       11.96824 
1 1 1 31 3  32 o 20.609  5.9365 2.8106   3.2950  24.365  8.5698 16.852  8.2174 7.512932       11.87297 
1 1 1 31 4  1  o 37.526  4.9073 14.693   2.5389  35.489  7.5468 39.563  6.2747 -4.074574      9.814601 
1 1 1 31 4  3  o 90.487  2.4170 82.348   3.0819  90.209  3.5839 90.765  3.2439 -0.5564575     4.833999 
1 1 1 31 4  5  f 210.953 1.9170 446.519  5.7062  210.409 2.6066 211.497 2.8116 -1.088181      3.833990 
1 1 1 31 4  7  o 134.470 1.8833 181.566  3.5785  133.174 2.7311 135.766 2.5939 -2.592072      3.766614 
1 1 1 31 4  9  o 24.373  5.7481 4.2349   2.7699  31.416  8.4511 17.330  7.7935 14.08537       11.49610 
1 1 1 31 4  11 o 51.026  3.8903 26.970   2.7274  55.054  4.6140 46.998  6.2648 8.055950       7.780564 
1 1 1 31 4  13 o 54.313  3.5168 30.028   2.6818  49.611  5.2367 59.015  4.6957 -9.404087      7.033648 
1 1 1 31 4  15 o 38.133  5.1556 15.579   2.6768  33.758  8.4028 42.507  5.9760 -8.748558      10.31111 
1 1 1 31 4  17 o 109.603 2.2219 121.277  3.4329  112.416 2.9787 106.790 3.2977 5.625511       4.443815 
1 1 1 31 4  19 o 55.945  4.5438 31.876   3.3250  53.483  4.9654 58.407  7.6111 -4.923615      9.087559 
1 1 1 31 4  21 o 35.238  6.6946 13.676   3.3068  30.304  8.6909 40.172  10.185 -9.867224      13.38913 
1 1 1 31 4  23 o 21.050  6.2554 0.3633   3.3795  22.985  8.7297 19.116  8.9618 3.868965       12.51086 
1 1 1 31 4  25 f 23.331  6.5059 4.5416   3.0021  22.985  7.9882 23.676  10.271 -0.6912251     13.01175 
1 1 1 31 4  27 o 24.684  6.2926 5.1434   3.0903  16.264  7.4033 33.103  10.177 -16.83935      12.58530 
1 1 1 31 4  29 o 24.645  6.6204 6.7587   3.2259  19.555  8.3019 29.735  10.315 -10.18023      13.24075 
1 1 1 31 4  31 o 19.024  5.9771 1.2980   3.1534  18.724  7.9037 19.323  8.9686 -0.5995865     11.95424 
1 1 1 31 5  0  o 9.6431  6.8896 -6.5815  5.4268  9.6431  6.8896 ?       ?      0.000000       0.000000 
1 1 1 31 5  2  o 28.706  4.4021 7.8375   2.3544  42.030  5.2197 15.382  7.0900 26.64799       8.804125 
1 1 1 31 5  4  o 99.879  2.2293 100.285  3.1461  102.822 3.0881 96.936  3.2161 5.886749       4.458669 
1 1 1 31 5  6  o 119.469 2.0691 143.081  3.4735  117.673 2.7475 121.265 3.0945 -3.592552      4.138203 
1 1 1 31 5  8  o 74.113  2.9813 55.516   3.1079  74.583  3.9478 73.644  4.4685 0.9391861      5.962543 
1 1 1 31 5  10 o 149.475 2.6529 227.989  5.2894  154.344 2.9176 144.606 4.4316 9.738098       5.305755 
1 1 1 31 5  12 f 90.073  2.4030 81.762   3.0587  90.470  3.3183 89.675  3.4765 0.7949524      4.805938 
1 1 1 31 5  14 o 27.670  5.7966 7.7450   2.6265  33.668  7.9961 21.671  8.3942 11.99766       11.59310 
1 1 1 31 5  16 o 55.937  4.0165 32.007   3.1658  55.442  5.4148 56.431  5.9337 -0.9894829     8.033012 
1 1 1 31 5  18 o 32.769  5.9011 11.780   2.9152  40.157  7.6082 25.381  9.0226 14.77588       11.80226 
1 1 1 31 5  20 o 61.300  3.6263 38.201   3.1144  66.878  5.1795 55.722  5.0768 11.15627       7.252683 
1 1 1 31 5  22 o 57.928  3.8371 34.967   3.0908  56.825  5.9942 59.032  4.7921 -2.206291      7.674292 
1 1 1 31 5  24 o 22.078  6.3786 1.6559   3.4977  25.586  9.3484 18.569  8.6806 7.016588       12.75712 
1 1 1 31 5  26 o 22.787  6.2661 4.3299   3.0241  24.560  8.4004 21.014  9.3000 3.546238       12.53227 
1 1 1 31 5  28 o 20.526  6.3018 1.7486   3.3084  16.397  7.5266 24.655  10.109 -8.258312      12.60354 
1 1 1 31 5  30 o 20.969  6.1635 3.2933   3.2772  23.922  9.0240 18.016  8.3979 5.906456       12.32709 
1 1 1 31 5  32 o 18.828  6.2258 -0.6573  3.9415  14.835  7.2159 22.820  10.148 -7.984972      12.45154 
1 1 1 31 6  1  o 28.117  6.0989 8.2545   2.6544  27.993  8.5196 28.241  8.7296 -0.2488022     12.19790 
1 1 1 31 6  3  o 51.195  3.4110 26.791   2.3904  49.208  5.5142 53.183  4.0165 -3.975224      6.821931 
1 1 1 31 6  5  o 29.104  6.1314 8.6944   2.7854  33.980  8.7760 24.228  8.5649 9.751932       12.26279 
1 1 1 31 6  7  o 50.958  3.6478 26.367   2.6265  52.479  5.0605 49.437  5.2551 3.041981       7.295545 
1 1 1 31 6  9  o 65.049  4.4487 44.344   3.1865  67.546  3.4188 62.551  8.2143 4.994976       8.897376 
1 1 1 31 6  11 o 74.304  2.8477 56.004   2.9595  72.503  4.3795 76.105  3.6412 -3.602669      5.695487 
1 1 1 31 6  13 o 138.408 2.1382 192.608  4.1838  140.186 3.0475 136.632 3.0000 3.554016       4.276404 
1 1 1 31 6  15 o 48.279  4.0994 23.800   2.7926  50.253  5.8591 46.305  5.7352 3.947815       8.198869 
1 1 1 31 6  17 o 46.468  4.8278 22.927   3.0307  52.461  5.8325 40.474  7.6949 11.98656       9.655581 
1 1 1 31 6  19 o 56.471  3.7666 33.314   2.9398  61.799  4.5775 51.143  5.9828 10.65571       7.533109 
1 1 1 31 6  21 o 70.058  3.3291 51.229   3.2165  65.093  5.3215 75.023  4.0016 -9.929527      6.658163 
1 1 1 31 6  23 o 51.295  3.9768 27.580   2.8762  53.275  5.7434 49.315  5.5022 3.959785       7.953656 
1 1 1 31 6  25 o 27.047  6.5254 8.4833   2.9921  27.170  9.4822 26.924  8.9673 0.2455063      13.05086 
1 1 1 31 6  27 o 18.568  5.6303 1.2614   2.6470  15.352  6.9886 21.784  8.8295 -6.431805      11.26059 
1 1 1 31 6  29 o 22.829  6.0761 5.0484   3.0908  17.810  8.2095 27.848  8.9599 -10.03802      12.15215 
1 1 1 31 6  31 o 21.070  6.4935 3.8544   3.7442  22.484  9.3010 19.657  9.0638 2.827108       12.98698 
1 1 1 31 7  0  o 62.040  4.7065 39.373   5.7732  62.040  4.7065 ?       ?      0.000000       0.000000 
1 1 1 31 7  2  o 57.359  3.6114 33.433   2.9015  56.498  5.5179 58.220  4.6607 -1.721359      7.222834 
1 1 1 31 7  4  o 36.229  5.0717 14.022   2.5389  28.710  8.2232 43.747  5.9386 -15.03672      10.14336 
1 1 1 31 7  6  o 66.065  2.7504 44.030   2.5688  64.717  3.9251 67.413  3.8538 -2.695892      5.500738 
1 1 1 31 7  8  o 75.794  4.3519 60.659   4.0680  80.579  4.0122 71.008  7.7238 9.570457       8.703779 
1 1 1 31 7  10 o 66.091  2.9035 44.162   2.7122  65.976  4.0252 66.207  4.1856 -0.2308884     5.807042 
1 1 1 31 7  12 o 94.075  2.1498 88.977   2.8505  94.538  3.1755 93.612  2.8986 0.9262161      4.299504 
1 1 1 31 7  14 o 124.041 2.1579 154.426  3.7548  126.233 3.2472 121.850 2.8428 4.382217       4.315733 
1 1 1 31 7  16 o 42.362  4.6025 19.095   2.5928  50.620  5.3604 34.103  7.4833 16.51671       9.205068 
1 1 1 31 7  18 o 41.687  4.1181 18.023   2.4234  42.277  5.5989 41.097  6.0406 1.179958       8.236243 
1 1 1 31 7  20 o 43.980  5.0281 21.497   2.9129  36.189  8.4422 51.771  5.4642 -15.58227      10.05627 
1 1 1 31 7  22 o 18.552  5.7299 -0.7107  2.9258  17.456  8.0817 19.648  8.1250 -2.192152      11.45990 
1 1 1 31 7  24 o 28.714  6.3842 9.7117   2.8762  29.669  9.2901 27.760  8.7594 1.909233       12.76847 
1 1 1 31 7  26 o 15.550  5.2610 -6.1084  3.2412  15.909  7.6403 15.191  7.2344 0.7174072      10.52192 
1 1 1 31 7  28 o 23.241  6.7470 5.6075   3.3410  24.855  10.509 21.627  8.4644 3.227762       13.49402 
1 1 1 31 7  30 o 16.170  5.5316 -6.0231  3.5857  18.322  8.7077 14.018  6.8242 4.303971       11.06312 
1 1 1 31 7  32 o 19.226  5.8896 -0.9571  3.5857  15.059  7.4795 23.393  9.0998 -8.333943      11.77918 
1 1 1 31 8  1  o 37.848  5.0868 14.973   2.6243  37.873  6.2498 37.822  8.0277 0.5141830E-01  10.17368 
1 1 1 31 8  3  o 80.736  2.6322 65.713   3.0010  77.459  3.8012 84.012  3.6421 -6.553719      5.264396 
1 1 1 31 8  5  o 70.695  2.7568 50.205   2.6909  69.477  3.4069 71.914  4.3351 -2.436577      5.513650 
1 1 1 31 8  7  o 46.687  5.2370 22.062   3.2878  38.800  7.4074 54.574  7.4051 -15.77348      10.47404 
1 1 1 31 8  9  o 98.739  2.2541 97.817   3.1250  101.052 3.3707 96.425  2.9936 4.627098       4.508183 
1 1 1 31 8  11 o 16.122  5.1380 -3.9765  2.6265  13.075  6.3414 19.169  8.0860 -6.093701      10.27603 
1 1 1 31 8  13 o 72.207  2.8276 52.675   2.8820  72.775  4.1252 71.639  3.8682 1.136452       5.655102 
1 1 1 31 8  15 o 103.874 2.3022 108.874  3.3771  107.618 3.1651 100.130 3.3441 7.488335       4.604439 
1 1 1 31 8  17 o 48.646  3.9654 24.542   2.7085  47.034  6.0146 50.257  5.1693 -3.223377      7.930738 
1 1 1 31 8  19 o 17.892  5.4935 -0.1411  2.5659  17.619  7.4910 18.166  8.0374 -0.5467472     10.98705 
1 1 1 31 8  21 o 24.777  6.4952 5.8996   3.0064  24.801  9.6750 24.752  8.6685 0.4817581E-01  12.99036 
1 1 1 31 8  23 o 29.546  6.6406 10.227   3.0652  31.084  9.9966 28.008  8.7441 3.075497       13.28125 
1 1 1 31 8  25 o 44.864  5.8235 23.553   3.4827  43.101  9.6223 46.627  6.5624 -3.525391      11.64705 
1 1 1 31 8  27 o 23.312  6.0502 5.7743   2.7997  20.772  9.2329 25.852  7.8212 -5.080547      12.10031 
1 1 1 31 8  29 o 18.402  6.0221 -0.3615  3.2482  21.745  9.8029 15.058  6.9975 6.686873       12.04412 
1 1 1 31 8  31 f 13.910  4.6922 -3.9283  2.5884  13.642  6.6507 14.179  6.6209 -0.5371170     9.384436 
1 1 1 31 9  0  o 143.235 3.1877 206.104  9.1217  143.235 3.1877 ?       ?      0.000000       0.000000 
1 1 1 31 9  2  o 105.773 2.3166 112.517  3.4553  104.689 3.1433 106.856 3.4038 -2.167564      4.633163 
1 1 1 31 9  4  o 89.015  2.3479 80.005   2.9398  86.689  3.5297 91.342  3.0970 -4.653404      4.695745 
1 1 1 31 9  6  o 71.919  2.6130 52.210   2.6544  71.263  3.8076 72.575  3.5797 -1.312294      5.226068 
1 1 1 31 9  8  f 74.399  2.8611 55.996   3.0010  78.574  3.8942 70.224  4.1928 8.350174       5.722279 
1 1 1 31 9  10 o 63.064  3.5601 40.371   3.1711  62.185  4.9205 63.943  5.1464 -1.757874      7.120139 
1 1 1 31 9  12 o 39.660  5.1243 17.251   2.7024  32.714  8.6790 46.606  5.4504 -13.89183      10.24850 
1 1 1 31 9  14 o 35.064  5.9000 13.460   2.8855  35.652  8.1145 34.477  8.5671 1.175491       11.80003 
1 1 1 31 9  16 o 67.910  3.2436 46.943   3.1004  70.603  4.7427 65.216  4.4262 5.386223       6.487264 
1 1 1 31 9  18 o 30.987  5.6951 10.709   2.5284  32.910  7.3761 29.065  8.6792 3.845062       11.39015 
1 1 1 31 9  20 o 24.621  6.0464 5.9563   2.7085  21.222  8.5836 28.019  8.5180 -6.797115      12.09274 
1 1 1 31 9  22 o 31.764  6.4056 11.415   2.8591  35.857  10.060 27.672  7.9330 8.185488       12.81116 
1 1 1 31 9  24 o 39.789  5.7737 18.080   3.0296  42.323  9.1267 37.255  7.0743 5.068283       11.54738 
1 1 1 31 9  26 o 37.273  6.1508 17.977   3.0315  32.393  10.945 42.154  5.6151 -9.761822      12.30161 
1 1 1 31 9  28 o 38.611  6.4564 19.830   3.3250  36.291  11.165 40.932  6.4881 -4.640968      12.91287 
1 1 1 31 9  30 o 15.755  5.3129 -3.4909  3.1166  16.441  8.0776 15.069  6.9035 1.371551       10.62572 
1 1 1 31 10 1  o 94.708  2.1546 90.118   2.8820  92.414  2.9986 97.001  3.0949 -4.586853      4.309299 
1 1 1 31 10 3  o 24.901  5.9356 5.9172   2.5688  21.650  8.3925 28.152  8.3958 -6.501820      11.87115 
1 1 1 31 10 5  o 19.598  5.2983 -1.1132  2.6444  13.231  6.4632 25.965  8.3973 -12.73390      10.59662 
1 1 1 31 10 7  o 69.797  2.8988 49.275   2.8551  70.523  3.9294 69.071  4.2628 1.451599       5.797544 
1 1 1 31 10 9  o 24.613  5.6961 4.6123   2.6444  32.316  8.6002 16.910  7.4713 15.40624       11.39221 
1 1 1 31 10 11 o 68.576  3.2893 47.859   3.1742  73.229  4.4149 63.923  4.8770 9.305962       6.578518 
1 1 1 31 10 13 o 142.094 2.0459 203.513  4.0860  140.557 3.0805 143.630 2.6931 -3.072418      4.091749 
1 1 1 31 10 15 o 119.769 2.0994 144.773  3.5390  119.688 2.7977 119.850 3.1311 -0.1615982     4.198895 
1 1 1 31 10 17 o 85.832  2.3015 74.687   2.6545  85.154  3.7966 86.509  2.6027 -1.355095      4.603093 
1 1 1 31 10 19 o 42.046  4.8447 18.515   2.8300  44.768  7.3507 39.324  6.3129 5.443588       9.689428 
1 1 1 31 10 21 o 38.250  4.8556 15.695   2.3358  39.141  8.3578 37.360  4.9450 1.781353       9.711152 
1 1 1 31 10 23 o 22.091  6.1802 4.2260   2.7712  23.034  9.4328 21.148  7.9875 1.886129       12.36037 
1 1 1 31 10 25 o 45.010  4.7687 21.625   2.7810  51.017  7.8083 39.004  5.4766 12.01307       9.537424 
1 1 1 31 10 27 o 24.961  6.4781 7.8072   2.7845  27.481  10.287 22.442  7.8769 5.039104       12.95611 
1 1 1 31 10 29 o 20.125  6.0881 3.2988   3.0315  20.122  9.2155 20.129  7.9584 -0.7493973E-02 12.17625 
1 1 1 31 11 0  o 13.834  8.8914 0.6928   5.4268  13.834  8.8914 ?       ?      0.000000       0.000000 
1 1 1 31 11 2  o 71.891  2.8108 52.581   2.8183  75.068  3.5377 68.715  4.3689 6.352142       5.621607 
1 1 1 31 11 4  o 84.730  2.4558 72.125   2.9342  87.997  3.5428 81.464  3.4017 6.532440       4.911504 
1 1 1 31 11 6  o 60.034  3.3645 36.361   2.8341  62.168  5.0147 57.899  4.4870 4.268555       6.729095 
1 1 1 31 11 8  o 23.799  6.1193 4.9836   2.6818  22.173  8.4435 25.424  8.8596 -3.250757      12.23868 
1 1 1 31 11 10 o 50.559  3.4327 26.023   2.4533  49.371  4.9113 51.748  4.7973 -2.376488      6.865478 
1 1 1 31 11 12 o 66.367  2.6757 44.561   2.5110  65.854  3.7697 66.880  3.7982 -1.025826      5.351346 
1 1 1 31 11 14 o 127.098 2.0239 161.911  3.5064  129.547 3.2532 124.648 2.4084 4.899391       4.047724 
1 1 1 31 11 16 o 135.972 2.1532 186.512  3.9209  136.304 3.5579 135.641 2.4261 0.6628265      4.306307 
1 1 1 31 11 18 o 114.729 2.2627 130.861  3.3568  118.937 3.8347 110.522 2.4029 8.414833       4.525323 
1 1 1 31 11 20 o 14.087  4.8679 -6.8383  2.5638  17.283  8.1440 10.891  5.3348 6.391854       9.735744 
1 1 1 31 11 22 o 41.232  4.9321 18.997   2.6909  39.321  8.1976 43.143  5.4865 -3.821865      9.864144 
1 1 1 31 11 24 o 16.930  5.4457 -0.5847  2.4727  20.518  8.9916 13.341  6.1458 7.176692       10.89133 
1 1 1 31 11 26 o 22.605  6.5124 5.2722   3.0530  23.631  10.261 21.580  8.0219 2.050632       13.02490 
1 1 1 31 11 28 o 21.105  6.3450 4.1607   2.9891  22.928  10.075 19.282  7.7160 3.645636       12.68991 
1 1 1 31 11 30 o 19.922  6.1445 3.4862   2.8856  21.970  9.8279 17.874  7.3780 4.096306       12.28908 
1 1 1 31 12 1  o 36.797  5.4324 14.528   2.7396  40.091  7.3286 33.504  8.0210 6.587238       10.86486 
1 1 1 31 12 3  o 29.463  5.8448 9.2765   2.6240  33.559  7.7245 25.366  8.7738 8.192869       11.68967 
1 1 1 31 12 5  o 25.308  5.8674 5.8310   2.6557  19.796  8.2023 30.821  8.3922 -11.02479      11.73482 
1 1 1 31 12 7  o 73.835  2.8780 55.221   3.0010  72.801  4.2030 74.868  3.9327 -2.067650      5.755973 
1 1 1 31 12 9  o 29.258  6.0723 9.2445   2.7055  27.257  9.3262 31.258  7.7789 -4.000278      12.14452 
1 1 1 31 12 11 o 77.603  2.8983 61.337   2.8463  76.829  5.0346 78.376  2.8728 -1.546890      5.796581 
1 1 1 31 12 13 o 33.448  6.3097 12.623   2.9695  30.752  10.631 36.144  6.7987 -5.391718      12.61932 
1 1 1 31 12 15 o 62.956  3.0022 39.582   2.6147  69.383  4.4932 56.528  3.9831 12.85508       6.004485 
1 1 1 31 12 17 o 24.963  6.0002 5.9826   2.5554  30.545  9.2359 19.382  7.6620 11.16323       12.00034 
1 1 1 31 12 19 o 17.313  5.4451 -0.7982  2.6105  19.017  8.3180 15.609  7.0291 3.408072       10.89023 
1 1 1 31 12 21 o 25.932  6.3799 7.2605   3.0063  23.281  9.7465 28.583  8.2351 -5.301817      12.75981 
1 1 1 31 12 23 o 13.798  4.6808 -5.5956  2.6265  13.698  6.5923 13.897  6.6470 -0.1987858     9.361694 
1 1 1 31 12 25 o 21.395  6.1810 4.3129   2.8527  23.718  9.5375 19.072  7.8649 4.646517       12.36200 
1 1 1 31 12 27 o 22.463  6.0560 5.8018   2.5948  26.090  9.4441 18.836  7.5835 7.254023       12.11196 
1 1 1 31 12 29 o 19.931  5.6967 3.4023   2.7981  17.261  8.1366 22.602  7.9752 -5.341709      11.39337 
1 1 1 31 13 0  o 82.832  4.0633 69.510   6.6969  82.832  4.0633 ?       ?      0.000000       0.000000 
1 1 1 31 13 2  o 118.770 2.1678 142.137  3.6371  115.562 3.1473 121.978 2.9818 -6.416313      4.335528 
1 1 1 31 13 4  o 104.170 2.1554 109.263  3.1742  103.546 3.0108 104.794 3.0851 -1.247818      4.310775 
1 1 1 31 13 6  o 114.299 2.1815 131.709  3.5179  113.211 3.2127 115.388 2.9520 -2.177238      4.362975 
1 1 1 31 13 8  o 76.542  3.6835 61.744   3.6437  70.813  6.3592 82.271  3.7192 -11.45882      7.366931 
1 1 1 31 13 10 o 67.830  3.6638 48.871   3.0164  63.422  6.5540 72.237  3.2767 -8.814705      7.327510 
1 1 1 31 13 12 o 19.953  5.9066 0.2508   2.7035  25.645  9.8116 14.261  6.5793 11.38381       11.81330 
1 1 1 31 13 14 o 46.054  5.2868 22.274   2.9489  47.768  9.2745 44.340  5.0779 3.428299       10.57367 
1 1 1 31 13 16 o 78.806  2.7666 62.259   2.8305  81.476  4.6766 76.136  2.9573 5.339592       5.533199 
1 1 1 31 13 18 o 29.211  6.3195 9.8235   2.7981  28.185  10.189 30.236  7.4785 -2.051447      12.63894 
1 1 1 31 13 20 o 35.721  5.6008 15.223   2.6688  30.582  9.8310 40.860  5.3691 -10.27838      11.20160 
1 1 1 31 13 22 o 16.308  5.1974 -3.6700  2.8294  14.602  7.2399 18.014  7.4588 -3.411387      10.39476 
1 1 1 31 13 24 o 24.242  6.5197 6.6203   2.9866  23.755  10.386 24.728  7.8838 -0.9729614     13.03942 
1 1 1 31 13 26 o 24.807  5.8485 6.9210   2.9326  19.611  9.2181 30.003  7.2005 -10.39192      11.69700 
1 1 1 31 13 28 f 19.948  6.1397 3.7152   3.1030  20.484  9.4411 19.412  7.8516 1.072491       12.27934 
1 1 1 31 14 1  o 169.654 2.0407 290.138  4.8577  167.863 3.0953 171.445 2.6602 -3.582352      4.081419 
1 1 1 31 14 3  o 147.477 1.9516 218.831  4.0699  145.938 2.7692 149.017 2.7507 -3.079666      3.903147 
1 1 1 31 14 5  o 41.943  4.9668 18.590   2.8866  40.946  7.3134 42.940  6.7225 -1.993855      9.933679 
1 1 1 31 14 7  o 33.531  5.5001 12.999   2.6926  25.237  9.5929 41.826  5.3832 -16.58877      11.00010 
1 1 1 31 14 9  o 40.466  5.7513 17.167   3.0146  45.997  8.9808 34.935  7.1871 11.06193       11.50254 
1 1 1 31 14 11 o 50.713  4.6200 27.050   2.9695  49.592  8.0326 51.835  4.5664 -2.243458      9.239906 
1 1 1 31 14 13 f 41.471  5.6661 19.547   2.6546  38.057  10.455 44.886  4.3731 -6.829304      11.33228 
1 1 1 31 14 15 o 73.276  3.4794 53.352   3.2777  78.767  5.8636 67.784  3.7475 10.98270       6.958861 
1 1 1 31 14 17 o 79.518  3.1568 65.607   3.3254  78.544  5.2923 80.492  3.4427 -1.948822      6.313516 
1 1 1 31 14 19 o 20.494  5.8140 3.0095   2.5725  19.975  8.6847 21.013  7.7322 -1.037621      11.62805 
1 1 1 31 14 21 o 32.815  6.3955 12.785   2.9391  41.310  9.8977 24.321  8.1021 16.98843       12.79092 
1 1 1 31 14 23 o 27.609  6.2385 9.3526   2.4927  26.793  10.792 28.425  6.2619 -1.631603      12.47696 
1 1 1 31 14 25 o 17.868  5.5449 0.2562   2.7997  16.908  8.0928 18.829  7.5823 -1.920717      11.08988 
1 1 1 31 14 27 f 17.494  5.6677 0.3045   3.1492  17.782  8.3657 17.205  7.6489 0.5768509      11.33537 
1 1 1 31 15 0  o 98.060  3.0088 96.875   5.8887  98.060  3.0088 ?       ?      0.000000       0.000000 
1 1 1 31 15 2  o 115.589 2.1123 135.270  3.4232  118.225 2.7346 112.954 3.2200 5.270409       4.224532 
1 1 1 31 15 4  o 115.751 2.6094 136.261  4.2101  114.132 4.0467 117.370 3.2956 -3.238243      5.218880 
1 1 1 31 15 6  o 60.821  3.7187 36.304   2.8719  65.841  6.3133 55.801  3.9315 10.04070       7.437352 
1 1 1 31 15 8  o 76.964  2.4426 59.860   2.5554  77.296  3.9586 76.633  2.8628 0.6634674      4.885248 
1 1 1 31 15 10 f 49.750  5.1610 26.253   2.8977  49.812  9.3841 49.688  4.2990 0.1240311      10.32197 
1 1 1 31 15 12 o 16.861  5.4483 -2.5402  2.7712  18.216  8.3478 15.506  7.0035 2.709991       10.89653 
1 1 1 31 15 14 o 40.327  5.9027 19.085   3.1083  34.850  10.354 45.804  5.6719 -10.95346      11.80535 
1 1 1 31 15 16 f 59.374  3.5998 35.188   2.7997  65.533  5.9025 53.215  4.1225 12.31758       7.199607 
1 1 1 31 15 18 o 78.612  2.7524 62.974   2.9097  80.914  4.4951 76.311  3.1775 4.602783       5.504738 
1 1 1 31 15 20 o 33.118  5.9631 13.957   2.8145  28.924  10.287 37.312  6.0344 -8.388071      11.92616 
1 1 1 31 15 22 o 40.612  6.5076 20.735   3.2457  39.379  11.654 41.844  5.7947 -2.464703      13.01522 
1 1 1 31 15 24 o 22.049  6.2073 4.5317   3.1299  19.907  9.3188 24.191  8.2027 -4.283604      12.41470 
1 1 1 31 15 26 o 20.207  6.5139 3.3795   3.3295  24.551  10.878 15.862  7.1696 8.689355       13.02785 
1 1 1 31 16 1  o 21.319  5.9331 2.4825   2.7712  24.666  8.8331 17.973  7.9235 6.692959       11.86613 
1 1 1 31 16 3  o 80.530  2.6205 65.480   2.9258  82.033  4.0818 79.026  3.2875 3.007195       5.241070 
1 1 1 31 16 5  o 77.025  3.0736 59.428   3.0628  79.823  5.2074 74.226  3.2667 5.597206       6.147245 
1 1 1 31 16 7  o 23.352  6.1600 4.7352   2.7931  21.891  9.1923 24.813  8.2027 -2.921644      12.32003 
1 1 1 31 16 9  f 46.085  4.8189 23.079   2.8527  43.610  8.2435 48.560  4.9933 -4.950150      9.637872 
1 1 1 31 16 11 o 77.176  3.4071 61.906   3.3699  75.625  5.8782 78.728  3.4466 -3.103798      6.814133 
1 1 1 31 16 13 o 72.633  3.2533 54.600   3.0309  72.212  5.5964 73.055  3.3191 -0.8429413     6.506597 
1 1 1 31 16 15 o 76.543  3.4785 59.866   2.9302  77.737  6.3869 75.349  2.7583 2.388336       6.957044 
1 1 1 31 16 17 o 44.922  4.6027 21.737   2.7469  46.184  7.6252 43.659  5.1572 2.525593       9.205473 
1 1 1 31 16 19 o 55.382  4.2821 32.056   3.0751  62.482  7.0223 48.283  4.9024 14.19931       8.564228 
1 1 1 31 16 21 o 22.641  6.4436 4.5385   2.9854  28.816  10.632 16.467  7.2830 12.34885       12.88715 
1 1 1 31 16 23 o 23.573  6.4375 6.6628   2.9378  23.352  10.169 23.795  7.8969 -0.4428387     12.87500 
1 1 1 31 16 25 o 21.007  5.6020 1.5955   3.2330  14.742  7.3574 27.272  8.4497 -12.52962      11.20396 
1 1 1 31 17 0  o 19.342  11.406 5.3114   7.3897  19.342  11.406 ?       ?      0.000000       0.000000 
1 1 1 31 17 2  o 35.219  6.0174 13.192   2.7845  41.479  9.4016 28.959  7.5129 12.51989       12.03472 
1 1 1 31 17 4  o 25.467  6.3564 6.5666   2.7369  26.102  9.9756 24.833  7.8804 1.269806       12.71271 
1 1 1 31 17 6  o 40.357  5.9652 18.339   3.0164  37.926  10.570 42.788  5.5319 -4.862526      11.93037 
1 1 1 31 17 8  o 68.285  3.2214 48.840   2.9121  64.785  5.4359 71.785  3.4582 -7.000366      6.442714 
1 1 1 31 17 10 f 82.345  3.2113 69.911   3.4309  82.301  5.4715 82.389  3.3635 -0.8760834E-01 6.422673 
1 1 1 31 17 12 o 36.069  5.9389 14.197   2.7523  41.480  9.5213 30.658  7.1012 10.82160       11.87780 
1 1 1 31 17 14 o 64.747  4.2810 44.826   3.1524  63.547  7.8131 65.946  3.5018 -2.398876      8.561929 
1 1 1 31 17 16 o 59.107  4.5272 37.955   3.3063  59.527  7.9527 58.687  4.3284 0.8405533      9.054368 
1 1 1 31 17 18 o 72.738  3.8202 56.613   3.3609  73.180  6.7846 72.296  3.5136 0.8837509      7.640432 
1 1 1 31 17 20 o 39.278  6.4856 18.436   3.2330  49.374  10.170 29.183  8.0514 20.19100       12.97126 
1 1 1 31 17 22 o 35.751  6.0991 16.734   2.8919  32.840  10.718 38.661  5.8239 -5.820553      12.19810 
1 1 1 31 17 24 o 22.673  5.7314 4.9511   3.0538  17.449  8.5441 27.896  7.6417 -10.44708      11.46289 
1 1 1 31 18 1  f 57.393  3.5231 34.034   2.8435  56.481  4.7019 58.306  5.2479 -1.825130      7.046172 
1 1 1 31 18 3  o 22.623  6.0564 3.7169   2.8591  20.101  9.0099 25.144  8.0959 -5.042362      12.11285 
1 1 1 31 18 5  o 23.298  6.1159 4.1599   2.9534  20.174  9.1206 26.423  8.1505 -6.248726      12.23174 
1 1 1 31 18 7  o 51.428  4.3595 27.985   2.9201  51.471  7.4029 51.385  4.6064 0.8541107E-01  8.719074 
1 1 1 31 18 9  o 48.844  4.4967 24.645   2.9369  53.635  7.2118 44.052  5.3733 9.583267       8.993428 
1 1 1 31 18 11 o 18.190  5.9432 -4.0217  3.1557  24.006  10.234 12.373  6.0463 11.63373       11.88635 
1 1 1 31 18 13 o 25.119  6.7830 6.5449   3.1166  26.293  10.805 23.945  8.2027 2.347723       13.56591 
1 1 1 31 18 15 o 86.730  2.9915 76.765   3.0636  89.626  5.3464 83.834  2.6857 5.791771       5.983095 
1 1 1 31 18 17 o 75.510  2.9757 59.447   3.0296  77.370  4.8502 73.650  3.4490 3.719627       5.951479 
1 1 1 31 18 19 o 27.433  6.7839 10.115   3.0748  26.623  11.240 28.243  7.5996 -1.619949      13.56783 
1 1 1 31 18 21 o 19.146  5.8579 0.9373   3.1379  17.564  8.4714 20.727  8.0929 -3.163452      11.71580 
1 1 1 31 18 23 o 15.849  5.4041 -3.2948  3.0315  19.016  8.9016 12.681  6.1300 6.334305       10.80816 
1 1 1 31 19 0  o 66.432  3.8508 45.147   5.0804  66.432  3.8508 ?       ?      0.000000       0.000000 
1 1 1 31 19 2  o 62.755  3.1223 40.742   2.7699  63.354  4.4652 62.157  4.3654 1.196819       6.244617 
1 1 1 31 19 4  o 73.305  3.6332 54.646   3.4496  77.363  6.1192 69.247  3.9185 8.116699       7.266330 
1 1 1 31 19 6  o 36.469  5.5271 16.272   2.8672  26.439  9.6099 46.499  5.4629 -20.06040      11.05417 
1 1 1 31 19 8  o 27.858  6.4058 9.0017   2.8074  28.232  10.046 27.483  7.9507 0.7496490      12.81159 
1 1 1 31 19 10 o 27.460  6.5634 8.6554   2.8855  30.775  10.248 24.145  8.2027 6.630590       13.12686 
1 1 1 31 19 12 o 55.773  3.8374 33.793   2.6915  54.203  6.7102 57.342  3.7252 -3.138870      7.674863 
1 1 1 31 19 14 o 66.526  4.1003 49.335   3.5424  63.192  7.0347 69.860  4.2146 -6.668137      8.200629 
1 1 1 31 19 16 o 49.200  5.8488 29.290   3.3834  47.231  10.538 51.169  5.0772 -3.938492      11.69760 
1 1 1 31 19 18 o 43.910  6.2493 23.284   3.1865  46.417  11.185 41.403  5.5776 5.013771       12.49868 
1 1 1 31 19 20 o 42.991  5.8374 23.004   3.0892  44.714  10.169 41.267  5.7358 3.446968       11.67485 
1 1 1 31 19 22 f 44.696  5.8578 25.834   3.2922  42.840  10.233 46.553  5.7047 -3.713024      11.71566 
1 1 1 31 20 1  o 56.629  3.3515 33.459   2.6768  55.390  4.5860 57.867  4.8886 -2.476357      6.703000 
1 1 1 31 20 3  o 100.945 2.1866 103.777  3.1133  106.620 3.0323 95.270  3.1511 11.35004       4.373151 
1 1 1 31 20 5  o 88.411  2.8718 80.977   3.4072  87.581  4.7461 89.240  3.2347 -1.658958      5.743587 
1 1 1 31 20 7  o 19.582  5.6303 -0.4946  2.9837  16.012  7.8371 23.153  8.0858 -7.141171      11.26060 
1 1 1 31 20 9  o 36.079  6.8474 16.501   3.3699  39.253  10.928 32.904  8.2534 6.349022       13.69470 
1 1 1 31 20 11 o 27.066  6.9108 7.6377   3.0636  36.538  11.652 17.595  7.4348 18.94366       13.82167 
1 1 1 31 20 13 o 23.493  6.6985 5.7643   3.0751  27.231  10.813 19.754  7.9086 7.477293       13.39691 
1 1 1 31 20 15 o 23.817  6.4280 6.8413   2.7784  24.401  10.384 23.232  7.5788 1.168390       12.85595 
1 1 1 31 20 17 o 15.869  5.3687 -3.4445  2.9489  17.995  8.5872 13.742  6.4462 4.252560       10.73744 
1 1 1 31 20 19 o 17.104  5.8697 -3.0976  3.4379  21.709  10.014 12.498  6.1263 9.210987       11.73940 
1 1 1 31 21 0  o 54.612  4.9390 31.522   5.3114  54.612  4.9390 ?       ?      0.000000       0.000000 
1 1 1 31 21 2  o 28.834  6.5853 10.686   3.0587  28.429  9.4138 29.239  9.2113 -0.8104382     13.17069 
1 1 1 31 21 4  o 22.480  6.1886 5.2086   2.8855  20.104  8.4061 24.856  9.0847 -4.752064      12.37711 
1 1 1 31 21 6  o 47.758  5.5236 27.055   3.4264  46.910  9.3151 48.606  5.9388 -1.696198      11.04720 
1 1 1 31 21 8  o 27.639  6.3307 9.4259   3.1936  22.767  10.135 32.511  7.5891 -9.744213      12.66130 
1 1 1 31 21 10 o 22.813  6.6198 4.5217   3.1557  28.376  10.873 17.251  7.5547 11.12533       13.23969 
1 1 1 31 21 12 o 20.116  5.8151 3.0069   2.7177  24.361  9.1283 15.871  7.2067 8.489908       11.63025 
1 1 1 31 21 14 o 17.609  5.6723 -0.1540  2.9636  18.898  8.7000 16.321  7.2807 2.577671       11.34453 
1 1 1 31 21 16 o 22.697  6.2878 6.3816   2.7316  23.394  10.038 22.001  7.5750 1.393293       12.57565 
1 1 1 31 21 18 o 18.927  5.9459 0.7161   3.4496  17.345  8.4520 20.508  8.3652 -3.162573      11.89174 
1 1 1 31 22 1  o 63.770  3.2954 43.588   2.9443  58.746  5.0120 68.795  4.2799 -10.04898      6.590717 
1 1 1 31 22 3  o 31.622  5.4286 12.308   2.6544  23.325  8.6906 39.920  6.5079 -16.59501      10.85723 
1 1 1 31 22 5  o 42.375  4.9840 20.913   2.9129  41.322  7.5451 43.428  6.5140 -2.105141      9.968040 
1 1 1 31 22 7  o 26.076  6.2101 8.6046   2.6348  28.427  9.5005 23.724  8.0002 4.702799       12.42024 
1 1 1 31 22 9  o 37.286  6.3123 18.830   3.2582  32.360  10.945 42.211  6.2915 -9.850250      12.62469 
1 1 1 31 22 11 o 41.461  6.1385 21.792   3.3437  44.561  9.7267 38.362  7.4909 6.199043       12.27693 
1 1 1 31 22 13 o 34.424  7.0036 16.602   3.3203  35.425  11.671 33.422  7.7455 2.003075       14.00726 
1 1 1 31 22 15 o 33.320  6.5348 16.946   3.2468  29.491  10.656 37.149  7.5666 -7.658129      13.06957 
1 1 1 31 23 0  o 67.434  4.6684 47.918   6.2351  67.434  4.6684 ?       ?      0.000000       0.000000 
1 1 1 31 23 2  o 62.249  3.4457 42.180   3.0307  60.400  4.9703 64.098  4.7736 -3.697899      6.891392 
1 1 1 31 23 4  o 34.462  6.2235 15.790   3.0500  31.563  8.8125 37.361  8.7903 -5.798237      12.44703 
1 1 1 31 23 6  o 26.381  6.6625 9.6116   3.1727  25.221  9.7724 27.541  9.0584 -2.319691      13.32499 
1 1 1 31 23 8  o 23.578  6.2296 7.0127   2.8277  25.052  8.8469 22.105  8.7730 2.947474       12.45926 
1 1 1 31 23 10 o 42.449  6.1828 24.902   3.0791  35.232  11.458 49.666  4.6496 -14.43401      12.36551 
1 1 1 31 23 12 o 23.088  6.6031 7.6760   3.2582  23.427  10.045 22.750  8.5735 0.6766396      13.20614 
1 1 1 31 23 14 o 21.677  6.3469 4.6021   3.0846  27.216  10.375 16.138  7.3142 11.07798       12.69384 
1 1 1 31 24 1  o 30.798  6.3444 12.998   3.0285  35.491  8.8131 26.104  9.1289 9.387215       12.68890 
1 1 1 31 24 3  f 28.140  5.4962 9.3548   3.0755  16.994  7.9230 39.286  7.6196 -22.29203      10.99236 
1 1 1 31 24 5  o 29.218  6.5520 12.457   3.1079  31.847  8.9029 26.589  9.6153 5.257566       13.10401 
1 1 1 31 24 7  o 28.481  6.1748 11.790   2.7420  30.125  8.5872 26.837  8.8754 3.288589       12.34960 
1 1 1 31 24 9  o 40.593  5.3172 21.178   2.9342  38.610  7.4430 42.576  7.5955 -3.966599      10.63436 
1 1 1 31 25 0  o 41.421  9.0864 22.054   6.5815  41.421  9.0864 ?       ?      0.000000       0.000000 
1 1 1 31 25 2  o 55.972  4.2292 36.616   3.3395  57.231  6.1535 54.714  5.8034 2.516521       8.458420 
1 1 1 31 25 4  o 22.546  6.4930 6.2411   3.3325  18.973  8.3791 26.119  9.9211 -7.145720      12.98603 
1 1 1 32 1  1  o 193.723 2.1242 377.486  5.6901  193.039 3.3496 194.407 2.6133 -1.368271      4.248419 
1 1 1 32 1  3  o 148.659 1.9511 222.044  4.0957  147.883 2.8499 149.435 2.6657 -1.551651      3.902279 
1 1 1 32 1  5  o 121.382 2.1405 149.098  3.6142  125.501 2.6681 117.263 3.3478 8.238106       4.280969 
1 1 1 32 1  7  o 102.702 2.2458 106.151  3.2616  103.736 3.1722 101.668 3.1800 2.068153       4.491672 
1 1 1 32 1  9  o 144.098 2.3584 208.979  4.6704  143.781 2.8509 144.414 3.7578 -0.6327057     4.716847 
1 1 1 32 1  11 o 44.614  4.9917 21.053   2.8074  46.352  4.9820 42.876  8.6514 3.475922       9.983376 
1 1 1 32 1  13 o 16.532  5.2676 -1.9655  2.4754  14.927  6.6975 18.136  8.1323 -3.209473      10.53523 
1 1 1 32 1  15 o 20.030  5.8895 0.8762   2.7813  20.684  7.8651 19.376  8.7684 1.307993       11.77900 
1 1 1 32 1  17 o 35.696  6.0507 13.773   2.9716  29.599  8.2676 41.794  8.8368 -12.19451      12.10140 
1 1 1 32 1  19 o 61.480  4.3765 39.565   3.5181  62.334  4.6309 60.627  7.4276 1.706490       8.752937 
1 1 1 32 1  21 o 64.142  3.6792 42.652   3.1267  64.560  4.0241 63.723  6.1607 0.8367043      7.358474 
1 1 1 32 1  23 o 55.184  4.8257 33.252   3.5658  57.177  5.3514 53.191  8.0319 3.986877       9.651347 
1 1 1 32 1  25 o 23.848  6.7274 5.3227   3.3087  23.384  8.6199 24.313  10.331 -0.9293194     13.45482 
1 1 1 32 1  27 o 26.015  6.9615 7.8422   3.3532  20.475  8.3608 31.554  11.133 -11.07856      13.92302 
1 1 1 32 1  29 f 24.944  6.8423 8.1332   3.2630  23.945  8.4688 25.943  10.749 -1.998669      13.68452 
1 1 1 32 1  31 o 16.927  5.7349 -1.8791  3.2433  13.474  6.4574 20.379  9.4793 -6.904998      11.46977 
1 1 1 32 2  0  o 15.686  9.7994 1.9629   6.1196  15.686  9.7994 ?       ?      0.000000       0.000000 
1 1 1 32 2  2  o 95.152  2.2515 90.467   2.9977  91.449  2.9671 98.855  3.3873 -7.405678      4.503056 
1 1 1 32 2  4  o 94.317  2.3275 89.861   3.0884  89.384  3.4878 99.250  3.0829 -9.866318      4.655028 
1 1 1 32 2  6  o 112.783 2.1406 127.935  3.3905  112.827 2.8143 112.739 3.2262 0.8796692E-01  4.281160 
1 1 1 32 2  8  o 43.756  4.9568 20.909   2.8100  50.762  5.1179 36.751  8.4902 14.01057       9.913503 
1 1 1 32 2  10 o 80.512  2.3031 65.676   2.5864  83.560  2.9018 77.464  3.5773 6.095558       4.606280 
1 1 1 32 2  12 o 98.492  2.8257 99.117   3.7435  101.954 3.1710 95.030  4.6779 6.924057       5.651372 
1 1 1 32 2  14 o 59.202  3.9821 35.669   2.9209  58.916  3.8216 59.489  6.9874 -0.5722275     7.964235 
1 1 1 32 2  16 o 75.017  3.1893 57.583   3.1449  76.105  3.4137 73.929  5.3883 2.175575       6.378626 
1 1 1 32 2  18 o 85.217  3.0671 74.013   3.5263  85.494  3.5114 84.941  5.0296 0.5535736      6.134116 
1 1 1 32 2  20 o 72.225  3.7235 55.106   3.4823  75.929  3.8017 68.520  6.4035 7.409698       7.446996 
1 1 1 32 2  22 o 21.727  6.3809 1.7149   3.4072  23.577  8.9229 19.877  9.1238 3.700117       12.76174 
1 1 1 32 2  24 o 21.465  6.2369 2.4566   3.1245  22.572  8.3319 20.359  9.2831 2.213028       12.47385 
1 1 1 32 2  26 o 34.982  6.8287 16.072   3.3617  34.386  8.1691 35.579  10.945 -1.193146      13.65732 
1 1 1 32 2  28 o 28.204  6.9051 10.963   3.2835  28.193  8.7326 28.215  10.699 -0.2172470E-01 13.81029 
1 1 1 32 2  30 o 32.387  6.8506 14.959   3.5040  24.392  9.1998 40.382  10.153 -15.99041      13.70123 
1 1 1 32 3  1  o 69.971  2.6269 49.338   2.5928  69.626  3.5655 70.317  3.8588 -0.6918869     5.253866 
1 1 1 32 3  3  o 157.328 1.8316 248.671  4.0650  156.113 2.6996 158.543 2.4762 -2.430267      3.663240 
1 1 1 32 3  5  o 266.436 2.2467 714.497  8.4459  265.788 3.3016 267.084 3.0478 -1.296570      4.493322 
1 1 1 32 3  7  o 139.684 1.9168 196.156  3.7760  138.749 2.8294 140.618 2.5865 -1.869598      3.833509 
1 1 1 32 3  9  f 48.386  3.2061 23.717   2.1923  48.786  4.6152 47.985  4.4516 0.8009949      6.412210 
1 1 1 32 3  11 o 38.879  7.0556 16.404   3.7348  38.281  8.2293 39.478  11.463 -1.196747      14.11126 
1 1 1 32 3  13 o 47.493  3.9114 23.224   2.5864  45.358  6.1095 49.628  4.8858 -4.270294      7.822860 
1 1 1 32 3  15 o 23.637  6.7447 3.2105   3.4470  23.589  8.9870 23.686  10.060 -0.9621811E-01 13.48938 
1 1 1 32 3  17 o 70.963  3.6336 51.507   3.4220  70.431  4.0165 71.495  6.0563 -1.064194      7.267103 
1 1 1 32 3  19 o 98.107  3.0859 98.434   3.9943  98.186  3.3515 98.028  5.1826 0.1580963      6.171894 
1 1 1 32 3  21 o 124.684 2.2908 156.999  3.9208  122.583 2.7787 126.785 3.6428 -4.202217      4.581648 
1 1 1 32 3  23 o 66.894  4.0447 47.192   3.4342  67.013  4.0491 66.774  7.0032 0.2392426      8.089460 
1 1 1 32 3  25 f 20.607  6.3422 0.6670   3.3876  15.816  7.3920 25.398  10.308 -9.581705      12.68430 
1 1 1 32 3  27 o 27.277  6.3308 9.0829   3.2582  32.673  8.1469 21.881  9.6926 10.79210       12.66169 
1 1 1 32 3  29 o 29.288  7.1013 12.378   3.4639  29.073  9.0074 29.502  10.981 -0.4298859     14.20265 
1 1 1 32 3  31 o 20.191  6.3147 3.3088   3.6047  20.795  8.7659 19.588  9.0917 1.206923       12.62932 
1 1 1 32 4  0  o 12.714  8.4019 -0.5773  5.3114  12.714  8.4019 ?       ?      0.000000       0.000000 
1 1 1 32 4  2  o 39.818  4.2528 16.164   2.3872  40.997  6.1961 38.639  5.8271 2.358116       8.505688 
1 1 1 32 4  4  o 147.479 2.0209 218.555  4.2113  146.541 2.7972 148.417 2.9174 -1.876480      4.041702 
1 1 1 32 4  6  o 158.415 2.0451 251.802  4.5017  157.000 2.5740 159.830 3.1787 -2.829620      4.090182 
1 1 1 32 4  8  o 40.277  4.6148 16.973   2.5192  41.474  5.5681 39.080  7.3609 2.394321       9.229614 
1 1 1 32 4  10 o 28.922  7.4572 7.5094   3.6488  26.272  8.9674 31.572  11.918 -5.300274      14.91448 
1 1 1 32 4  12 o 70.084  3.0544 49.409   3.0087  74.415  4.4222 65.754  4.2144 8.660522       6.108752 
1 1 1 32 4  14 o 40.001  5.1775 17.137   2.8242  43.645  6.2170 36.356  8.2810 7.288834       10.35504 
1 1 1 32 4  16 o 62.693  3.3607 41.405   2.8505  71.142  3.8141 54.244  5.5344 16.89746       6.721337 
1 1 1 32 4  18 o 95.817  2.5140 93.055   3.4052  93.761  3.5713 97.873  3.5392 -4.112495      5.027938 
1 1 1 32 4  20 o 108.885 2.8172 120.812  4.2156  108.381 3.4092 109.389 4.4861 -1.008194      5.634460 
1 1 1 32 4  22 o 77.354  3.2134 60.690   3.3189  73.494  3.6920 81.214  5.2604 -7.719406      6.426760 
1 1 1 32 4  24 o 29.612  6.6148 10.324   3.4220  34.700  8.2602 24.524  10.334 10.17507       13.22963 
1 1 1 32 4  26 o 34.153  6.9522 15.407   3.4470  30.348  9.0366 37.957  10.567 -7.608866      13.90438 
1 1 1 32 4  28 o 19.058  5.9320 -0.0719  3.4072  21.323  8.6517 16.792  8.1181 4.530869       11.86402 
1 1 1 32 4  30 f 18.940  5.8288 1.9568   3.0628  20.187  8.0316 17.693  8.4494 2.494883       11.65759 
1 1 1 32 5  1  o 40.873  4.6592 17.416   2.6265  43.268  6.1378 38.478  7.0115 4.790226       9.318460 
1 1 1 32 5  3  o 94.240  2.3380 88.951   3.1004  100.501 3.3318 87.979  3.2810 12.52162       4.676096 
1 1 1 32 5  5  o 150.001 1.9605 226.161  4.1535  150.311 2.6886 149.692 2.8540 0.6192169      3.920951 
1 1 1 32 5  7  o 99.694  2.2268 100.291  3.0908  101.056 2.7993 98.332  3.4640 2.724297       4.453698 
1 1 1 32 5  9  o 23.922  7.0948 2.0650   3.6815  20.408  8.5094 27.436  11.355 -7.028019      14.18953 
1 1 1 32 5  11 o 50.855  3.6824 25.949   2.6105  54.878  5.4704 46.831  4.9311 8.047539       7.364889 
1 1 1 32 5  13 o 35.462  5.6559 13.657   2.7603  35.904  8.3508 35.021  7.6302 0.8826065      11.31181 
1 1 1 32 5  15 o 17.496  5.4323 -1.2206  2.6189  15.265  7.0252 19.728  8.2878 -4.462864      10.86468 
1 1 1 32 5  17 o 46.819  4.5805 22.846   3.0241  47.094  6.7425 46.545  6.2018 0.5489006      9.160972 
1 1 1 32 5  19 o 23.241  6.2013 4.1975   2.9432  27.278  9.2378 19.205  8.2758 8.072950       12.40262 
1 1 1 32 5  21 o 64.029  3.2347 42.498   2.9152  68.020  4.3286 60.038  4.8080 7.981697       6.469440 
1 1 1 32 5  23 o 72.301  3.0509 54.202   3.1165  74.727  4.2492 69.875  4.3790 4.851585       6.101701 
1 1 1 32 5  25 o 38.444  6.7927 18.902   3.8617  27.106  9.7094 49.782  9.5022 -22.67589      13.58544 
1 1 1 32 5  27 o 31.433  6.7554 13.496   3.3060  33.540  8.5731 29.327  10.443 4.213909       13.51086 
1 1 1 32 5  29 o 18.635  5.9004 0.3360   3.1290  14.939  7.0220 22.330  9.4842 -7.390540      11.80078 
1 1 1 32 6  0  o 18.127  9.9324 4.8495   5.0804  18.127  9.9324 ?       ?      0.000000       0.000000 
1 1 1 32 6  2  o 73.328  2.7595 54.142   2.8341  72.017  3.6074 74.640  4.1768 -2.623161      5.518975 
1 1 1 32 6  4  o 91.220  2.5291 83.914   3.2616  92.986  3.5390 89.455  3.6141 3.530586       5.058280 
1 1 1 32 6  6  o 96.266  2.2501 93.353   3.0598  98.934  3.0928 93.597  3.2691 5.337494       4.500271 
1 1 1 32 6  8  o 44.058  5.7780 20.932   3.3650  47.239  6.2329 40.876  9.7309 6.363258       11.55592 
1 1 1 32 6  10 o 120.676 2.1812 146.227  3.7128  123.793 3.1713 117.560 2.9956 6.232933       4.362420 
1 1 1 32 6  12 f 85.150  2.7305 73.027   3.2745  88.979  3.9579 81.320  3.7627 7.659042       5.460979 
1 1 1 32 6  14 o 75.154  2.8948 57.256   3.0206  75.451  4.5145 74.857  3.6248 0.5932770      5.789623 
1 1 1 32 6  16 o 65.073  3.0811 43.231   2.8242  66.012  4.1105 64.134  4.5909 1.878296       6.162190 
1 1 1 32 6  18 o 121.473 2.1712 149.591  3.7235  118.039 3.1791 124.906 2.9581 -6.867546      4.342494 
1 1 1 32 6  20 o 27.361  6.0330 8.1785   2.7420  22.636  8.6910 32.085  8.3700 -9.449383      12.06607 
1 1 1 32 6  22 o 23.606  6.3782 5.4235   2.9707  23.849  9.1394 23.364  8.8992 0.4850578      12.75635 
1 1 1 32 6  24 o 37.879  5.2993 16.634   2.7274  35.307  7.4288 40.450  7.5594 -5.143234      10.59869 
1 1 1 32 6  26 o 48.250  5.0537 27.676   3.1375  42.060  8.6693 54.440  5.1964 -12.37942      10.10736 
1 1 1 32 6  28 o 18.980  5.6849 0.2887   3.0021  23.807  9.0732 14.153  6.8520 9.653709       11.36986 
1 1 1 32 6  30 o 19.313  5.9739 3.0363   3.1004  21.531  9.0808 17.094  7.7645 4.436302       11.94777 
1 1 1 32 7  1  o 65.103  2.8793 42.325   2.6105  69.045  4.3480 61.161  3.7758 7.883949       5.758636 
1 1 1 32 7  3  o 67.892  2.9530 46.958   2.7997  61.225  4.5262 74.560  3.7941 -13.33490      5.906065 
1 1 1 32 7  5  o 43.690  4.6735 19.629   2.8866  44.351  6.5086 43.029  6.7085 1.321404       9.346963 
1 1 1 32 7  7  o 112.774 2.0825 127.814  3.3133  113.388 3.0550 112.161 2.8310 1.226501       4.165006 
1 1 1 32 7  9  o 93.270  2.5605 87.751   3.3771  93.153  3.5946 93.387  3.6474 -0.2336578     5.121022 
1 1 1 32 7  11 o 50.048  4.2019 25.613   2.9595  53.647  5.9189 46.450  5.9659 7.197071       8.403883 
1 1 1 32 7  13 o 64.691  3.0221 41.986   2.7279  69.114  4.5107 60.269  4.0232 8.845272       6.044273 
1 1 1 32 7  15 o 36.487  5.2796 14.385   2.6818  41.197  6.7267 31.778  8.1393 9.418253       10.55919 
1 1 1 32 7  17 o 49.693  4.2100 25.742   2.9342  44.769  6.1899 54.617  5.7081 -9.847740      8.420028 
1 1 1 32 7  19 o 45.712  4.8387 22.691   2.9976  41.950  7.7208 49.474  5.8346 -7.524303      9.677468 
1 1 1 32 7  21 o 18.945  5.8760 0.1399   2.9621  20.103  8.7890 17.787  7.8014 2.315857       11.75192 
1 1 1 32 7  23 o 37.813  5.6298 16.693   2.9152  36.613  8.2409 39.013  7.6724 -2.400242      11.25955 
1 1 1 32 7  25 o 59.716  3.7924 38.678   3.1831  61.699  5.6142 57.732  5.1000 3.967213       7.584841 
1 1 1 32 7  27 o 41.787  4.8897 20.778   2.7973  44.323  6.1219 39.251  7.6263 5.071758       9.779468 
1 1 1 32 7  29 o 19.002  5.9600 2.4038   3.1490  20.460  8.9422 17.544  7.8819 2.915821       11.92006 
1 1 1 32 8  0  o 83.092  3.3468 69.625   5.5423  83.092  3.3468 ?       ?      0.000000       0.000000 
1 1 1 32 8  2  o 70.937  2.7707 50.778   2.7663  76.239  3.7863 65.635  4.0462 10.60384       5.541424 
1 1 1 32 8  4  o 41.263  4.8182 17.794   2.7420  39.546  7.2802 42.979  6.3133 -3.433205      9.636327 
1 1 1 32 8  6  f 87.362  2.6494 77.188   3.2616  91.070  3.5500 83.655  3.9337 7.415009       5.298772 
1 1 1 32 8  8  o 94.344  2.3962 89.779   3.1375  94.730  2.9862 93.957  3.7482 0.7735748      4.792336 
1 1 1 32 8  10 o 15.569  5.0863 -4.0676  2.6544  16.234  7.3716 14.904  7.0102 1.329627       10.17267 
1 1 1 32 8  12 o 67.449  3.2868 46.465   3.1165  72.433  4.3838 62.465  4.8985 9.967991       6.573620 
1 1 1 32 8  14 o 56.687  3.3500 33.662   2.5774  61.994  3.8182 51.381  5.5057 10.61271       6.700077 
1 1 1 32 8  16 o 16.072  5.2654 -4.1066  2.8435  14.833  6.9653 17.312  7.8982 -2.479608      10.53079 
1 1 1 32 8  18 f 27.833  6.3483 7.9126   3.0424  34.334  9.3388 21.331  8.6018 13.00226       12.69664 
1 1 1 32 8  20 o 61.595  3.7815 39.841   3.2897  63.931  5.2377 59.259  5.4558 4.672031       7.562971 
1 1 1 32 8  22 o 30.508  6.2892 11.145   2.8820  32.300  8.9768 28.716  8.8110 3.584000       12.57837 
1 1 1 32 8  24 o 19.471  5.8997 1.7634   2.9729  17.283  7.8480 21.659  8.8110 -4.376213      11.79931 
1 1 1 32 8  26 f 18.716  5.8843 0.9996   3.0652  17.369  7.7265 20.062  8.8769 -2.692738      11.76852 
1 1 1 32 8  28 o 20.184  5.9108 2.2201   3.1375  16.325  7.7918 24.042  8.8903 -7.716879      11.82157 
1 1 1 32 9  1  o 56.070  3.5138 32.959   2.6544  65.303  3.9783 46.838  5.7932 18.46490       7.027680 
1 1 1 32 9  3  o 57.786  3.0074 33.799   2.4533  60.176  4.1254 55.396  4.3771 4.779984       6.014791 
1 1 1 32 9  5  f 28.513  6.3260 8.5190   2.8762  26.695  9.3090 30.332  8.5684 -3.637510      12.65206 
1 1 1 32 9  7  o 57.503  3.1877 33.768   2.5688  61.529  4.1285 53.478  4.8580 8.050934       6.375344 
1 1 1 32 9  9  o 51.277  3.9405 26.581   2.7921  48.652  4.9839 53.902  6.1050 -5.250149      7.881040 
1 1 1 32 9  11 o 58.112  3.4028 34.169   2.7640  55.122  4.5037 61.102  5.1022 -5.980526      6.805526 
1 1 1 32 9  13 o 25.307  5.3936 6.7621   2.2279  21.334  8.2176 29.280  6.9882 -7.945599      10.78720 
1 1 1 32 9  15 o 18.595  5.5567 -1.2689  2.7997  22.765  8.7053 14.425  6.9083 8.339949       11.11335 
1 1 1 32 9  17 o 43.143  4.9849 20.166   2.9342  41.186  7.8514 45.100  6.1444 -3.914307      9.969861 
1 1 1 32 9  19 o 43.375  5.2038 20.440   3.0868  47.445  7.5443 39.304  7.1695 8.140625       10.40763 
1 1 1 32 9  21 o 44.455  4.7813 21.592   3.0021  43.156  6.9564 45.753  6.5614 -2.597359      9.562607 
1 1 1 32 9  23 o 24.961  6.6272 6.9375   3.4168  21.480  9.4182 28.442  9.3262 -6.962282      13.25448 
1 1 1 32 9  25 o 21.709  6.3612 4.3539   2.9837  23.039  9.9646 20.379  7.9100 2.659649       12.72248 
1 1 1 32 9  27 o 22.502  6.5380 5.5423   3.0791  23.699  10.342 21.305  8.0015 2.394869       13.07610 
1 1 1 32 9  29 o 31.269  6.0807 14.427   2.9979  25.124  10.132 37.414  6.7256 -12.28977      12.16138 
1 1 1 32 10 0  o 87.781  3.6972 77.823   6.4660  87.781  3.6972 ?       ?      0.000000       0.000000 
1 1 1 32 10 2  o 30.899  6.1846 10.269   2.8100  32.999  9.0182 28.799  8.4658 4.199726       12.36927 
1 1 1 32 10 4  o 22.852  6.0151 4.4261   2.5864  22.138  8.2219 23.566  8.7821 -1.428301      12.03017 
1 1 1 32 10 6  o 27.195  6.3286 7.3218   2.9432  31.515  9.0483 22.874  8.8507 8.641653       12.65727 
1 1 1 32 10 8  o 39.542  5.5807 16.800   3.0598  43.445  7.0430 35.640  8.6586 7.804710       11.16137 
1 1 1 32 10 10 o 25.870  6.3033 6.7981   2.7973  26.558  9.0584 25.181  8.7676 1.376942       12.60659 
1 1 1 32 10 12 o 25.149  6.0026 5.6161   2.7973  31.211  8.8444 19.088  8.1179 12.12331       12.00516 
1 1 1 32 10 14 o 49.964  4.2425 25.844   2.9743  53.564  6.1436 46.364  5.8525 7.200127       8.485017 
1 1 1 32 10 16 o 64.394  3.3036 42.722   3.0021  66.815  4.4931 61.973  4.8442 4.841366       6.607132 
1 1 1 32 10 18 o 40.861  5.3044 19.254   2.9152  51.560  5.7105 30.161  8.9408 21.39952       10.60884 
1 1 1 32 10 20 o 25.995  7.2880 6.5393   3.7522  29.158  11.433 22.833  9.0417 6.325489       14.57598 
1 1 1 32 10 22 o 32.885  6.7793 13.675   3.1402  34.492  11.002 31.279  7.9239 3.212950       13.55860 
1 1 1 32 10 24 o 40.715  5.7453 20.321   2.9809  37.756  10.060 43.675  5.5518 -5.919125      11.49064 
1 1 1 32 10 26 o 24.526  6.3669 7.4034   2.9747  22.646  10.077 26.406  7.7851 -3.760359      12.73375 
1 1 1 32 10 28 o 20.099  6.0896 4.2062   2.8305  23.397  9.7676 16.801  7.2752 6.596415       12.17926 
1 1 1 32 11 1  o 71.615  2.8789 51.944   2.9152  72.654  4.0526 70.576  4.0901 2.077705       5.757772 
1 1 1 32 11 3  o 47.478  4.7178 24.227   2.8889  43.130  8.0628 51.826  4.9014 -8.696190      9.435687 
1 1 1 32 11 5  o 56.356  3.5530 32.355   2.8242  53.176  5.1028 59.537  4.9454 -6.361000      7.106017 
1 1 1 32 11 7  o 27.419  6.2600 7.1258   3.0241  34.101  9.1280 20.737  8.5693 13.36455       12.52009 
1 1 1 32 11 9  o 62.169  3.5926 39.650   3.1144  62.554  5.5375 61.784  4.5787 0.7709656      7.185271 
1 1 1 32 11 11 o 99.745  2.1888 100.268  3.0819  102.941 3.1406 96.550  3.0496 6.391243       4.377613 
1 1 1 32 11 13 o 57.855  3.6343 34.612   2.9342  64.925  4.8017 50.785  5.4567 14.14060       7.268548 
1 1 1 32 11 15 o 33.450  6.4511 12.770   3.0483  33.005  10.373 33.895  7.6721 -0.8897514     12.90229 
1 1 1 32 11 17 o 19.870  6.1161 0.5342   2.7194  25.388  10.354 14.351  6.5125 11.03753       12.23223 
1 1 1 32 11 19 o 37.890  6.0959 17.958   2.9760  30.921  11.111 44.859  5.0192 -13.93772      12.19171 
1 1 1 32 11 21 o 20.462  6.2118 2.3660   2.9980  21.912  9.7259 19.012  7.7299 2.899710       12.42350 
1 1 1 32 11 23 o 21.116  6.3647 3.3059   3.0628  24.201  10.158 18.032  7.6715 6.169666       12.72942 
1 1 1 32 11 25 o 25.733  6.3789 8.5503   3.0530  22.797  10.069 28.669  7.8344 -5.871424      12.75778 
1 1 1 32 11 27 o 42.356  6.0409 23.247   3.0791  43.223  10.723 41.488  5.5662 1.735550       12.08186 
1 1 1 32 12 0  f 41.509  7.7058 19.167   5.7732  41.509  7.7058 ?       ?      0.000000       0.000000 
1 1 1 32 12 2  o 112.601 1.9890 128.248  3.1461  119.401 2.6110 105.800 3.0012 13.60094       3.977988 
1 1 1 32 12 4  o 66.284  3.1677 44.936   2.9432  72.139  4.1615 60.429  4.7769 11.71038       6.335386 
1 1 1 32 12 6  o 74.776  3.0032 56.982   3.1753  73.965  4.2929 75.586  4.2009 -1.621346      6.006370 
1 1 1 32 12 8  o 37.567  5.8684 15.847   3.1398  30.075  9.6624 45.058  6.6627 -14.98248      11.73683 
1 1 1 32 12 10 o 22.215  6.4051 2.8194   3.1742  22.819  9.1982 21.610  8.9159 1.208731       12.81016 
1 1 1 32 12 12 o 57.469  3.2817 34.077   2.6507  55.940  4.9538 58.998  4.3056 -3.057365      6.563390 
1 1 1 32 12 14 o 78.880  2.7135 61.860   2.8145  83.242  4.5081 74.518  3.0215 8.723755       5.426984 
1 1 1 32 12 16 o 78.611  2.9160 62.423   3.1083  82.785  4.6724 74.437  3.4901 8.348526       5.832022 
1 1 1 32 12 18 o 27.808  6.9014 8.1792   3.0751  33.906  11.168 21.709  8.1113 12.19770       13.80274 
1 1 1 32 12 20 o 22.967  5.9688 4.6438   2.8719  19.590  9.0448 26.343  7.7910 -6.752676      11.93767 
1 1 1 32 12 22 o 26.506  6.4304 8.4146   3.2635  22.206  9.8565 30.806  8.2614 -8.599699      12.86086 
1 1 1 32 12 24 o 20.348  5.8483 4.1344   2.5725  20.877  8.8694 19.819  7.6251 1.057137       11.69651 
1 1 1 32 12 26 o 44.940  4.5414 23.609   2.7931  47.679  7.1441 42.202  5.6088 5.476952       9.082796 
1 1 1 32 13 1  o 107.462 2.0811 116.738  3.1250  108.537 2.6596 106.386 3.2017 2.151009       4.162252 
1 1 1 32 13 3  o 92.885  2.4642 87.464   3.2330  95.526  3.3844 90.243  3.5826 5.283165       4.928391 
1 1 1 32 13 5  o 41.943  4.9290 18.947   2.7997  36.216  7.8718 47.671  5.9342 -11.45456      9.857974 
1 1 1 32 13 7  o 40.864  5.6391 17.920   3.0903  41.574  9.1354 40.153  6.6139 1.421516       11.27825 
1 1 1 32 13 9  o 79.621  2.7268 64.745   3.0587  82.477  3.6399 76.765  4.0611 5.711731       5.453587 
1 1 1 32 13 11 f 21.643  5.9741 3.0656   2.7469  20.066  8.8781 23.220  7.9961 -3.153545      11.94812 
1 1 1 32 13 13 o 17.917  5.6512 -0.8671  2.7469  19.487  8.7314 16.348  7.1768 3.138191       11.30243 
1 1 1 32 13 15 o 21.363  6.1744 1.9849   2.8855  27.194  10.139 15.533  7.0487 11.66141       12.34879 
1 1 1 32 13 17 o 25.335  6.7082 6.0832   3.0922  31.207  10.785 19.463  7.9806 11.74395       13.41641 
1 1 1 32 13 19 o 29.767  6.9596 11.240   3.2150  30.253  11.268 29.280  8.1714 0.9733105      13.91915 
1 1 1 32 13 21 o 43.375  5.1008 22.106   2.7894  40.809  8.8773 45.941  5.0266 -5.132572      10.20166 
1 1 1 32 13 23 o 25.661  6.2941 8.6080   2.6592  26.634  9.9052 24.687  7.7685 1.946270       12.58823 
1 1 1 32 13 25 o 21.062  6.3217 4.7993   3.0121  22.635  9.9445 19.488  7.8077 3.146643       12.64330 
1 1 1 32 14 0  o 162.478 2.8445 265.338  9.2372  162.478 2.8445 ?       ?      0.000000       0.000000 
1 1 1 32 14 2  o 125.411 2.2156 159.009  3.9249  127.387 3.0365 123.436 3.2272 3.950836       4.431137 
1 1 1 32 14 4  o 31.632  6.0953 11.232   2.8100  33.220  7.9208 30.044  9.2666 3.175825       12.19059 
1 1 1 32 14 6  o 52.664  3.9921 28.849   2.9707  53.150  5.7570 52.178  5.5322 0.9714622      7.984274 
1 1 1 32 14 8  o 118.146 2.2974 141.424  3.8338  120.257 3.3125 116.034 3.1843 4.222618       4.594830 
1 1 1 32 14 10 o 85.625  3.0039 74.996   3.3795  85.490  5.0648 85.760  3.2313 -0.2702637     6.007803 
1 1 1 32 14 12 o 44.143  4.9838 20.885   2.7981  45.192  8.4885 43.094  5.2248 2.098026       9.967582 
1 1 1 32 14 14 o 23.025  6.3996 4.5966   2.8591  26.027  10.087 20.023  7.8783 6.004702       12.79916 
1 1 1 32 14 16 f 72.807  3.1146 53.376   2.9391  77.186  5.2357 68.428  3.3748 8.758621       6.229113 
1 1 1 32 14 18 o 19.957  6.0440 1.4537   3.1087  19.155  8.9768 20.758  8.0954 -1.603289      12.08794 
1 1 1 32 14 20 o 43.491  5.3643 22.977   2.9097  38.528  9.4900 48.453  5.0043 -9.924732      10.72861 
1 1 1 32 14 22 o 27.357  7.0682 9.8145   3.1560  32.672  11.561 22.041  8.1359 10.63106       14.13647 
1 1 1 32 14 24 o 26.162  6.3018 9.4838   2.7554  24.539  10.337 27.784  7.2112 -3.244678      12.60370 
1 1 1 32 15 1  o 83.378  2.9195 71.190   3.4348  87.032  3.9801 79.724  4.2725 7.307564       5.839092 
1 1 1 32 15 3  o 64.355  3.4366 42.832   3.1165  62.119  5.1116 66.591  4.5949 -4.471325      6.873254 
1 1 1 32 15 5  f 38.766  5.2307 16.685   2.7712  32.052  8.5037 45.480  6.0931 -13.42826      10.46132 
1 1 1 32 15 7  o 62.887  3.7106 40.715   3.1492  63.884  6.0548 61.890  4.2910 1.994579       7.421151 
1 1 1 32 15 9  o 51.432  3.7391 27.318   2.6532  53.290  5.8502 49.573  4.6583 3.716515       7.478259 
1 1 1 32 15 11 o 17.627  5.5073 -0.2108  2.5302  19.529  8.5864 15.724  6.8990 3.805668       11.01468 
1 1 1 32 15 13 o 36.789  5.7780 15.758   2.7225  34.053  10.214 39.526  5.4043 -5.472271      11.55598 
1 1 1 32 15 15 o 93.624  2.8378 90.959   3.5239  92.303  4.7535 94.946  3.1011 -2.642662      5.675624 
1 1 1 32 15 17 o 65.875  3.6671 46.652   3.1366  65.599  6.2486 66.151  3.8401 -0.5515976     7.334205 
1 1 1 32 15 19 o 45.934  4.5842 25.034   2.5351  39.148  8.2246 52.720  4.0518 -13.57209      9.168440 
1 1 1 32 15 21 o 44.090  6.1403 24.736   3.4476  43.133  10.629 45.048  6.1516 -1.915028      12.28050 
1 1 1 32 15 23 o 25.740  7.0628 9.7441   3.3692  28.130  11.257 23.349  8.5336 4.780966       14.12554 
1 1 1 32 16 0  o 127.142 2.8639 162.805  7.2743  127.142 2.8639 ?       ?      0.000000       0.000000 
1 1 1 32 16 2  o 95.037  2.6436 92.113   3.5484  94.354  3.8548 95.720  3.6188 -1.365913      5.287283 
1 1 1 32 16 4  o 28.184  6.7529 8.6640   3.2072  31.340  9.9883 25.028  9.0908 6.311783       13.50590 
1 1 1 32 16 6  o 39.563  6.0156 17.771   3.0164  37.899  10.573 41.227  5.7415 -3.328022      12.03115 
1 1 1 32 16 8  o 38.561  5.8751 18.220   2.8438  31.565  10.718 45.557  4.8155 -13.99258      11.75014 
1 1 1 32 16 10 o 51.843  3.9325 29.525   2.6938  44.154  6.6684 59.532  4.1700 -15.37816      7.864930 
1 1 1 32 16 12 o 57.363  4.1427 34.922   3.2089  58.061  6.7615 56.664  4.7886 1.396465       8.285463 
1 1 1 32 16 14 o 62.109  3.8559 40.262   3.1975  66.210  6.2781 58.007  4.4787 8.203022       7.711873 
1 1 1 32 16 16 o 58.879  4.2738 36.584   3.2293  64.423  7.1692 53.336  4.6544 11.08692       8.547565 
1 1 1 32 16 18 o 61.120  3.4663 39.838   2.9621  65.056  5.1471 57.185  4.6440 7.871010       6.932506 
1 1 1 32 16 20 o 28.464  6.2913 11.057   3.0892  23.676  10.237 33.252  7.3163 -9.576658      12.58262 
1 1 1 32 16 22 o 23.244  6.1793 6.0095   3.3609  18.808  9.0423 27.679  8.4244 -8.870756      12.35858 
1 1 1 32 17 1  f 91.084  2.5846 84.830   3.2993  90.993  3.3627 91.175  3.9258 -0.1820450     5.169131 
1 1 1 32 17 3  o 43.537  4.6764 20.797   2.6348  41.443  7.9452 45.631  4.9343 -4.187572      9.352736 
1 1 1 32 17 5  o 55.034  4.2468 31.956   2.9854  55.254  7.3140 54.815  4.3182 0.4394646      8.493608 
1 1 1 32 17 7  o 66.310  3.7703 46.092   3.2311  66.308  6.4430 66.311  3.9178 -0.3570557E-02 7.540623 
1 1 1 32 17 9  o 62.965  4.0709 41.386   3.3699  65.413  6.7959 60.516  4.4838 4.896355       8.141771 
1 1 1 32 17 11 o 19.795  5.9247 1.4087   2.8127  23.798  9.4476 15.791  7.1520 8.006475       11.84942 
1 1 1 32 17 13 o 22.780  6.3767 5.3916   2.9317  25.139  9.8292 20.422  8.1261 4.716482       12.75330 
1 1 1 32 17 15 o 34.298  6.7828 14.961   3.1709  37.235  11.020 31.362  7.9112 5.872194       13.56561 
1 1 1 32 17 17 o 39.564  5.7350 19.255   2.9882  39.027  9.6559 40.101  6.1906 -1.074081      11.46995 
1 1 1 32 17 19 o 19.410  5.7949 2.2629   2.7949  18.534  8.6834 20.286  7.6762 -1.751629      11.58988 
1 1 1 32 17 21 o 19.485  6.1429 2.9835   3.2433  20.293  9.4546 18.678  7.8455 1.614168       12.28585 
1 1 1 32 18 0  o 11.205  7.9851 -7.2743  7.1588  11.205  7.9851 ?       ?      0.000000       0.000000 
1 1 1 32 18 2  o 26.269  6.7344 7.4049   2.9626  27.959  10.835 24.579  8.0002 3.379999       13.46882 
1 1 1 32 18 4  o 48.092  4.7448 25.826   2.8496  44.843  8.2944 51.341  4.6104 -6.498905      9.489601 
1 1 1 32 18 6  o 31.743  7.5410 12.605   3.9798  31.035  11.439 32.451  9.8298 -1.416180      15.08198 
1 1 1 32 18 8  o 32.722  6.6573 13.456   3.2950  28.929  11.087 36.516  7.3728 -7.587397      13.31464 
1 1 1 32 18 10 o 62.809  3.3585 40.333   2.8422  69.906  5.2855 55.712  4.1451 14.19432       6.716967 
1 1 1 32 18 12 o 64.858  3.7669 45.194   3.3281  66.929  6.0382 62.786  4.5056 4.142197       7.533889 
1 1 1 32 18 14 o 37.271  6.2376 18.288   3.2408  31.321  10.857 43.220  6.1446 -11.89896      12.47510 
1 1 1 32 18 16 o 32.338  6.3476 14.091   2.8719  30.379  10.824 34.298  6.6332 -3.918579      12.69511 
1 1 1 32 18 18 o 33.502  6.1418 15.777   3.2330  25.719  10.631 41.286  6.1527 -15.56746      12.28351 
1 1 1 32 18 20 o 44.030  5.7256 25.439   3.0315  40.998  10.288 47.062  5.0296 -6.063934      11.45121 
1 1 1 32 19 1  o 23.007  5.9641 5.6253   2.5143  22.816  7.8894 23.198  8.9465 -0.3817654     11.92825 
1 1 1 32 19 3  o 69.542  3.2454 50.467   3.1081  70.984  5.1239 68.099  3.9845 2.885506       6.490788 
1 1 1 32 19 5  o 45.747  5.9848 26.305   3.0661  39.113  11.128 52.381  4.4086 -13.26819      11.96951 
1 1 1 32 19 7  o 64.912  4.0396 46.431   3.3532  62.734  6.9940 67.090  4.0445 -4.355560      8.079250 
1 1 1 32 19 9  o 84.745  3.2026 74.979   3.6389  88.314  5.2297 81.176  3.6982 7.138260       6.405222 
1 1 1 32 19 11 o 60.335  4.2806 39.765   3.2950  61.138  7.3655 59.531  4.3640 1.606239       8.561286 
1 1 1 32 19 13 o 35.879  7.0353 17.413   3.3740  36.459  11.949 35.299  7.4301 1.159286       14.07056 
1 1 1 32 19 15 o 17.104  5.7532 -2.7190  3.2777  19.945  9.3325 14.263  6.7305 5.681046       11.50632 
1 1 1 32 19 17 o 34.110  6.1822 15.756   2.9310  36.170  9.4670 32.050  7.9534 4.119553       12.36443 
1 1 1 32 19 19 o 37.994  6.7973 21.127   3.5087  36.018  11.434 39.970  7.3528 -3.952011      13.59452 
1 1 1 32 20 0  o 67.587  4.2194 47.456   5.6578  67.587  4.2194 ?       ?      0.000000       0.000000 
1 1 1 32 20 2  o 52.327  3.7483 29.790   2.7712  51.003  5.4333 53.651  5.1651 -2.647907      7.496602 
1 1 1 32 20 4  o 39.143  6.4223 19.134   3.2635  40.491  10.681 37.796  7.1343 2.695061       12.84452 
1 1 1 32 20 6  o 18.325  5.9348 -0.9657  3.2922  19.469  9.0813 17.181  7.6432 2.288330       11.86962 
1 1 1 32 20 8  o 19.996  6.0339 2.6007   2.9977  20.108  8.7902 19.884  8.2681 0.2241249      12.06771 
1 1 1 32 20 10 f 24.003  6.7570 6.6040   2.9362  25.728  11.189 22.278  7.5788 3.449711       13.51406 
1 1 1 32 20 12 o 16.470  5.3305 -1.5599  2.8311  16.021  7.6810 16.918  7.3932 -0.8977280     10.66105 
1 1 1 32 20 14 o 23.440  6.4752 6.4468   3.2753  21.405  9.6033 25.475  8.6885 -4.070141      12.95041 
1 1 1 32 20 16 o 35.246  6.8563 18.780   3.2706  33.498  11.902 36.994  6.8095 -3.496162      13.71254 
1 1 1 32 21 1  o 49.031  4.3253 26.788   2.9843  46.423  5.9693 51.638  6.2609 -5.214912      8.650553 
1 1 1 32 21 3  o 36.105  5.6224 16.229   2.7973  39.144  7.2015 33.066  8.6363 6.078041       11.24490 
1 1 1 32 21 5  o 36.750  5.9064 17.678   3.0652  30.291  10.005 43.210  6.2797 -12.91852      11.81273 
1 1 1 32 21 7  o 32.512  6.7643 14.726   3.2311  31.515  10.999 33.509  7.8771 -1.993431      13.52853 
1 1 1 32 21 9  o 30.329  7.2266 13.581   3.6437  29.495  11.150 31.163  9.1962 -1.667273      14.45312 
1 1 1 32 21 11 o 36.035  6.7165 17.330   3.2330  38.152  11.029 33.918  7.6684 4.233150       13.43308 
1 1 1 32 21 13 o 25.671  6.3817 9.6201   3.1698  21.939  9.7086 29.403  8.2855 -7.464396      12.76346 
1 1 1 32 21 15 o 19.340  6.2364 1.6066   3.5424  22.202  9.8826 16.478  7.6096 5.724197       12.47285 
1 1 1 32 22 0  o 51.684  5.2354 28.866   5.3114  51.684  5.2354 ?       ?      0.000000       0.000000 
1 1 1 32 22 2  o 39.681  5.5439 19.691   2.9976  38.283  7.8107 41.079  7.8698 -2.796490      11.08784 
1 1 1 32 22 4  o 19.784  5.9176 3.2330   2.8575  19.740  8.3371 19.828  8.4003 -0.8779144E-01 11.83524 
1 1 1 32 22 6  o 22.378  6.4381 4.8167   3.4658  19.645  9.0353 25.111  9.1737 -5.466194      12.87613 
1 1 1 32 22 8  f 27.044  6.3980 9.9556   3.0644  23.562  10.524 30.527  7.2788 -6.964449      12.79610 
1 1 1 32 22 10 o 26.407  6.1461 9.5448   3.4510  19.663  9.3912 33.151  7.9313 -13.48839      12.29227 
1 1 1 32 22 12 o 18.142  5.7042 1.7410   2.9398  18.166  8.1393 18.117  7.9940 0.4884720E-01  11.40842 
1 1 1 32 23 1  o 41.375  5.3639 21.923   3.0010  34.627  8.8121 48.123  6.1184 -13.49551      10.72788 
1 1 1 32 23 3  o 27.295  6.6196 11.224   3.1711  30.075  9.2647 24.516  9.4575 5.559122       13.23930 
1 1 1 32 23 5  o 28.991  6.4652 12.659   3.0010  31.654  9.1501 26.327  9.1363 5.326855       12.93049 
1 1 1 32 23 7  o 21.518  6.6799 5.3562   3.8128  22.085  10.056 20.951  8.7956 1.134386       13.35989 
1 1 1 32 23 9  o 18.584  5.9216 1.5348   3.1492  20.047  9.0587 17.121  7.6290 2.926205       11.84321 
1 1 1 32 24 0  o 94.548  3.7374 92.603   7.0433  94.548  3.7374 ?       ?      0.000000       0.000000 
1 1 1 32 24 2  f 81.562  2.8365 71.230   3.2412  81.629  4.3142 81.494  3.6838 0.1347656      5.673013 
1 1 1 33 1  0  o 14.995  9.5929 1.0392   6.2351  14.995  9.5929 ?       ?      0.000000       0.000000 
1 1 1 33 1  2  o 31.495  5.0061 10.428   2.3614  40.861  6.0754 22.128  7.9583 18.73348       10.01222 
1 1 1 33 1  4  o 42.452  5.0307 19.120   2.8855  48.922  6.0185 35.982  8.0629 12.93950       10.06143 
1 1 1 33 1  6  o 55.261  3.5676 32.378   2.5884  62.200  3.7127 48.323  6.0931 13.87737       7.135108 
1 1 1 33 1  8  o 99.883  2.2511 100.570  3.1753  96.819  3.2796 102.946 3.0844 -6.126808      4.502136 
1 1 1 33 1  10 o 118.802 2.4892 141.956  4.0765  117.186 3.0545 120.418 3.9313 -3.231995      4.978466 
1 1 1 33 1  12 o 74.954  3.9524 55.450   3.3842  71.476  3.3924 78.432  7.1399 -6.956444      7.904881 
1 1 1 33 1  14 o 24.131  5.7689 3.7354   2.9209  29.701  7.5596 18.562  8.7162 11.13864       11.53776 
1 1 1 33 1  16 o 20.780  6.2995 0.9994   3.1534  19.642  8.0664 21.919  9.6783 -2.277224      12.59906 
1 1 1 33 1  18 o 53.639  4.0245 30.157   2.7813  54.692  4.1168 52.586  6.9165 2.105511       8.048965 
1 1 1 33 1  20 o 44.951  5.3274 23.388   3.0791  52.118  5.3170 37.785  9.2333 14.33381       10.65479 
1 1 1 33 1  22 o 33.664  5.8437 13.757   3.0491  42.085  6.3102 25.244  9.8376 16.84177       11.68747 
1 1 1 33 1  24 o 23.055  5.9312 5.0444   2.7411  16.525  7.3695 29.584  9.2954 -13.05871      11.86233 
1 1 1 33 1  26 o 17.733  5.7707 -1.5758  3.3475  17.832  7.9498 17.633  8.3670 0.1992111      11.54145 
1 1 1 33 1  28 o 20.103  6.1434 2.6455   3.2412  16.992  7.7802 23.214  9.5096 -6.222250      12.28676 
1 1 1 33 2  1  o 158.155 2.0998 252.222  4.6649  154.479 3.1766 161.830 2.7469 -7.350891      4.199614 
1 1 1 33 2  3  o 170.195 1.9670 291.035  4.7333  172.814 2.7728 167.577 2.7906 5.237595       3.933901 
1 1 1 33 2  5  o 155.873 2.0317 244.345  4.4741  160.498 2.8057 151.249 2.9391 9.249069       4.063313 
1 1 1 33 2  7  o 101.071 2.3231 102.901  3.3194  103.092 3.2480 99.049  3.3223 4.042786       4.646244 
1 1 1 33 2  9  o 119.130 2.1932 142.824  3.6913  123.052 3.0965 115.207 3.1069 7.844460       4.386500 
1 1 1 33 2  11 o 91.772  3.3191 84.460   4.0028  88.975  3.6336 94.568  5.5554 -5.593132      6.638175 
1 1 1 33 2  13 o 30.123  6.8689 9.8040   3.3437  31.855  8.5276 28.391  10.771 3.464306       13.73789 
1 1 1 33 2  15 o 31.081  6.6435 10.421   3.1290  26.458  8.7824 35.703  9.9707 -9.244732      13.28705 
1 1 1 33 2  17 o 25.230  6.4629 6.1822   3.0107  26.569  8.5902 23.890  9.6585 2.678268       12.92584 
1 1 1 33 2  19 o 27.486  6.5624 7.8087   2.7316  22.317  7.6827 32.655  10.641 -10.33817      13.12472 
1 1 1 33 2  21 o 42.075  5.6233 20.605   3.0296  46.102  5.5100 38.047  9.8043 8.055145       11.24653 
1 1 1 33 2  23 o 58.457  4.4230 36.740   3.5239  53.734  5.4795 63.181  6.9446 -9.447247      8.846051 
1 1 1 33 2  25 o 18.006  5.8610 -2.2811  3.4185  18.037  7.8985 17.976  8.6614 0.6063652E-01  11.72207 
1 1 1 33 2  27 o 24.545  6.5918 7.3696   3.3723  27.080  8.6781 22.009  9.9245 5.071199       13.18350 
1 1 1 33 2  29 o 17.382  6.0078 -3.2437  3.8524  14.854  6.9937 19.910  9.7704 -5.055336      12.01552 
1 1 1 33 3  0  o 55.324  5.4172 31.753   5.8887  55.324  5.4172 ?       ?      0.000000       0.000000 
1 1 1 33 3  2  o 105.897 2.3507 112.658  3.5132  101.708 3.2922 110.086 3.3564 -8.377884      4.701485 
1 1 1 33 3  4  o 93.852  2.4562 88.425   3.2494  89.252  3.4283 98.452  3.5184 -9.200279      4.912466 
1 1 1 33 3  6  o 58.006  3.4202 34.213   2.7973  56.983  5.0657 59.029  4.5967 -2.045898      6.840413 
1 1 1 33 3  8  o 32.819  5.6371 11.720   2.5980  34.728  7.6852 30.909  8.2489 3.818661       11.27417 
1 1 1 33 3  10 o 65.170  4.2781 43.996   3.7035  66.702  4.6738 63.637  7.1670 3.065388       8.556277 
1 1 1 33 3  12 o 62.577  3.1940 40.209   2.7973  66.305  4.0923 58.849  4.9052 7.456558       6.388082 
1 1 1 33 3  14 o 68.023  3.1828 47.566   3.0241  64.477  4.9247 71.568  4.0334 -7.091339      6.365556 
1 1 1 33 3  16 o 29.851  6.0741 10.082   2.7331  27.478  9.5701 32.224  7.4827 -4.745890      12.14812 
1 1 1 33 3  18 o 45.810  5.5861 22.946   3.4611  45.010  6.7981 46.611  8.8660 -1.601360      11.17227 
1 1 1 33 3  20 o 25.697  6.9298 6.5045   3.1560  23.466  8.1871 27.928  11.183 -4.462070      13.85968 
1 1 1 33 3  22 o 18.468  6.0743 -4.0203  3.4748  13.721  6.6445 23.214  10.171 -9.493124      12.14864 
1 1 1 33 3  24 o 21.447  6.6499 2.8761   3.5575  19.013  8.1928 23.881  10.477 -4.868118      13.29986 
1 1 1 33 3  26 o 19.732  5.8837 1.6372   3.0396  21.508  8.0166 17.957  8.6143 3.550816       11.76738 
1 1 1 33 3  28 o 22.348  6.4678 4.1723   3.8193  26.057  9.2867 18.639  9.0048 7.418291       12.93560 
1 1 1 33 4  1  o 123.028 1.9766 152.219  3.4329  124.569 2.6881 121.488 2.8988 3.080559       3.953299 
1 1 1 33 4  3  o 70.164  2.8392 49.957   2.7973  67.056  4.3048 73.271  3.7033 -6.214989      5.678492 
1 1 1 33 4  5  o 57.138  3.1463 33.095   2.5389  57.711  4.3016 56.566  4.5928 1.145576       6.292651 
1 1 1 33 4  7  o 131.960 2.1998 175.196  4.0787  132.944 3.3004 130.976 2.9092 1.967529       4.399534 
1 1 1 33 4  9  f 76.000  4.0931 60.505   3.9688  79.754  4.0537 72.245  7.1122 7.509453       8.186280 
1 1 1 33 4  11 o 27.842  6.3852 8.0242   2.8923  24.301  8.6526 31.383  9.3923 -7.081987      12.77044 
1 1 1 33 4  13 o 27.322  6.3968 7.8839   2.8762  29.232  9.3097 25.412  8.7753 3.820520       12.79364 
1 1 1 33 4  15 o 52.131  3.9931 28.153   2.9342  53.288  5.8504 50.975  5.4363 2.313019       7.986255 
1 1 1 33 4  17 o 106.481 2.1806 114.531  3.2044  107.362 3.4415 105.600 2.6789 1.761978       4.361206 
1 1 1 33 4  19 o 84.047  2.7217 72.427   3.2320  86.826  3.7901 81.269  3.9071 5.556343       5.443344 
1 1 1 33 4  21 o 31.036  7.4528 11.447   3.7823  26.379  9.4544 35.693  11.523 -9.314766      14.90553 
1 1 1 33 4  23 o 21.404  6.6199 2.6290   3.5785  18.911  8.2550 23.897  10.351 -4.985596      13.23985 
1 1 1 33 4  25 o 17.450  5.9187 -4.6168  3.5421  13.480  6.5415 21.420  9.8658 -7.939667      11.83744 
1 1 1 33 4  27 o 22.412  6.8525 4.9140   3.5149  19.370  8.1242 25.454  11.037 -6.083990      13.70495 
1 1 1 33 4  29 o 20.556  6.0979 3.6447   3.2150  22.379  8.3176 18.734  8.9193 3.644857       12.19579 
1 1 1 33 5  0  o 185.023 2.7472 343.392  10.161  185.023 2.7472 ?       ?      0.000000       0.000000 
1 1 1 33 5  2  o 125.801 2.1599 159.141  3.8286  126.403 3.1971 125.199 2.9051 1.204613       4.319850 
1 1 1 33 5  4  o 18.184  5.4090 0.6534   2.3614  19.360  7.9664 17.008  7.3189 2.351332       10.81802 
1 1 1 33 5  6  o 128.408 2.4494 166.435  4.4446  129.952 3.3764 126.865 3.5495 3.087105       4.898895 
1 1 1 33 5  8  o 126.673 2.1807 161.953  3.8950  130.021 2.9305 123.325 3.2301 6.695869       4.361378 
1 1 1 33 5  10 o 103.169 2.2415 107.579  3.2596  105.739 3.0029 100.599 3.3285 5.140343       4.482935 
1 1 1 33 5  12 o 52.560  3.9772 28.634   2.9398  54.002  5.2385 51.117  5.9858 2.884792       7.954359 
1 1 1 33 5  14 o 25.560  5.9552 6.2547   2.7122  19.947  8.2292 31.173  8.6103 -11.22635      11.91034 
1 1 1 33 5  16 o 48.618  4.0893 24.738   2.7997  51.505  5.4925 45.730  6.0598 5.774239       8.178501 
1 1 1 33 5  18 o 45.802  4.3122 22.472   2.7274  42.833  6.8739 48.770  5.2086 -5.936150      8.624419 
1 1 1 33 5  20 o 46.448  5.4276 25.184   3.2867  36.743  9.2660 56.152  5.6547 -19.40975      10.85518 
1 1 1 33 5  22 o 29.360  6.7286 10.874   3.1976  28.714  9.7562 30.006  9.2691 -1.291420      13.45729 
1 1 1 33 5  24 o 26.909  6.3078 9.0622   2.7331  24.247  8.2027 29.571  9.5849 -5.323982      12.61569 
1 1 1 33 5  26 o 16.120  5.3544 -3.4290  3.1461  17.432  7.9901 14.807  7.1301 2.624942       10.70886 
1 1 1 33 5  28 o 21.023  6.4714 4.7252   3.6807  21.966  9.0725 20.080  9.2306 1.885960       12.94276 
1 1 1 33 6  1  o 23.887  6.1572 4.8568   2.7274  20.842  8.2431 26.932  9.1485 -6.089684      12.31439 
1 1 1 33 6  3  o 23.281  5.9798 4.8041   2.5688  21.989  8.4230 24.573  8.4902 -2.583925      11.95953 
1 1 1 33 6  5  o 97.863  2.2524 96.486   3.1165  99.029  3.2064 96.697  3.1643 2.331612       4.504884 
1 1 1 33 6  7  o 150.647 2.1146 228.616  4.5024  149.234 3.0562 152.059 2.9235 -2.824783      4.229280 
1 1 1 33 6  9  o 116.760 2.3096 137.693  3.8095  118.458 3.1679 115.063 3.3617 3.395378       4.619143 
1 1 1 33 6  11 o 73.133  2.7959 54.520   2.8085  74.001  3.3547 72.265  4.4738 1.736008       5.591886 
1 1 1 33 6  13 o 74.388  2.7496 56.289   2.8866  71.633  4.0297 77.144  3.7419 -5.510254      5.499103 
1 1 1 33 6  15 o 26.211  6.3650 7.3093   2.8551  25.193  8.8519 27.230  9.1485 -2.037334      12.72996 
1 1 1 33 6  17 o 100.303 2.5921 102.763  3.6549  99.156  3.9010 101.451 3.4144 -2.294174      5.184187 
1 1 1 33 6  19 o 34.314  5.8817 13.729   2.8277  33.594  8.2891 35.034  8.3467 -1.440399      11.76338 
1 1 1 33 6  21 o 52.336  4.1844 29.169   3.0560  58.767  5.7962 45.905  6.0367 12.86165       8.368847 
1 1 1 33 6  23 o 23.584  6.2583 6.5179   2.8183  22.310  8.5248 24.858  9.1647 -2.547518      12.51650 
1 1 1 33 6  25 o 21.106  6.1216 3.2330   3.1753  16.871  7.8334 25.341  9.4093 -8.470680      12.24322 
1 1 1 33 6  27 o 17.101  5.4490 -0.9552  2.8341  13.461  6.4884 20.742  8.7558 -7.281099      10.89790 
1 1 1 33 7  0  o 71.028  4.0924 51.266   5.7732  71.028  4.0924 ?       ?      0.000000       0.000000 
1 1 1 33 7  2  o 82.340  2.6550 68.245   3.0755  88.662  3.7116 76.017  3.7973 12.64469       5.309917 
1 1 1 33 7  4  o 84.529  2.4877 72.140   2.9729  86.092  3.4871 82.966  3.5489 3.125916       4.975348 
1 1 1 33 7  6  o 21.319  5.9823 2.9164   2.6768  22.235  8.7289 20.403  8.1827 1.832747       11.96453 
1 1 1 33 7  8  o 45.048  4.1878 21.160   2.6189  48.072  5.1641 42.024  6.5943 6.048473       8.375690 
1 1 1 33 7  10 o 50.146  4.4394 26.214   3.1440  49.972  6.4696 50.319  6.0808 -0.3469887     8.878734 
1 1 1 33 7  12 o 24.204  6.3716 4.5097   3.0326  29.147  9.7562 19.260  8.1980 9.886232       12.74322 
1 1 1 33 7  14 o 27.839  6.1895 8.6156   2.7024  28.834  9.0223 26.844  8.4757 1.989607       12.37901 
1 1 1 33 7  16 o 29.871  6.3641 10.028   2.9976  34.346  8.9772 25.396  9.0231 8.949961       12.72824 
1 1 1 33 7  18 o 34.604  5.4609 14.114   2.9083  23.358  9.0971 45.851  6.0439 -22.49244      10.92176 
1 1 1 33 7  20 f 30.787  6.6811 11.553   3.2289  33.081  9.1305 28.493  9.7562 4.588205       13.36225 
1 1 1 33 7  22 o 24.444  6.1326 6.3407   3.0285  18.638  8.2865 30.251  9.0425 -11.61346      12.26513 
1 1 1 33 7  24 o 20.814  5.8389 2.8272   2.9129  25.605  8.9487 16.023  7.5028 9.582277       11.67785 
1 1 1 33 7  26 o 27.060  7.0218 10.384   3.4980  28.444  10.341 25.676  9.5022 2.767786       14.04354 
1 1 1 33 7  28 o 34.493  6.3194 16.851   3.1079  36.773  9.0078 32.214  8.8655 4.559162       12.63874 
1 1 1 33 8  1  o 115.167 2.3219 133.733  3.7795  114.563 3.2252 115.771 3.3411 -1.208389      4.643816 
1 1 1 33 8  3  o 88.442  2.7248 79.173   3.4052  89.210  3.7535 87.673  3.9510 1.536835       5.449637 
1 1 1 33 8  5  o 59.553  3.4426 36.279   2.8820  57.809  5.1931 61.297  4.5209 -3.487175      6.885230 
1 1 1 33 8  7  o 45.028  4.5436 21.075   2.8820  48.097  6.2418 41.959  6.6044 6.137333       9.087192 
1 1 1 33 8  9  o 70.639  3.2543 51.151   3.2165  69.382  4.9925 71.896  4.1756 -2.513817      6.508513 
1 1 1 33 8  11 o 79.920  2.9603 64.786   3.3325  83.394  4.2922 76.446  4.0781 6.947571       5.920621 
1 1 1 33 8  13 o 53.994  3.7940 29.848   2.7931  56.293  6.0509 51.696  4.5787 4.596611       7.588039 
1 1 1 33 8  15 o 22.594  6.4080 3.6970   3.1165  22.602  9.1136 22.585  9.0108 0.1636505E-01  12.81608 
1 1 1 33 8  17 o 41.550  5.2900 19.046   2.9845  42.430  8.3245 40.671  6.5298 1.759552       10.57997 
1 1 1 33 8  19 o 55.464  3.6976 32.555   2.8855  53.061  5.5490 57.867  4.8886 -4.805367      7.395233 
1 1 1 33 8  21 o 56.870  4.4174 36.011   3.5503  55.400  6.3568 58.340  6.1354 -2.940807      8.834719 
1 1 1 33 8  23 o 27.153  6.4794 9.5066   3.0241  24.659  9.3508 29.647  8.9719 -4.988285      12.95886 
1 1 1 33 8  25 o 37.006  5.9570 17.912   3.0424  39.963  7.3543 34.049  9.3733 5.913494       11.91402 
1 1 1 33 8  27 o 36.105  6.1307 18.525   3.1440  41.519  8.0749 30.690  9.2271 10.82925       12.26143 
1 1 1 33 9  0  o 85.535  3.7275 74.013   6.3506  85.535  3.7275 ?       ?      0.000000       0.000000 
1 1 1 33 9  2  o 82.102  2.7434 68.384   3.1742  77.305  4.0328 86.899  3.7204 -9.594101      5.486789 
1 1 1 33 9  4  o 54.292  3.7572 29.681   2.8300  61.636  5.3390 46.948  5.2877 14.68840       7.514301 
1 1 1 33 9  6  o 47.076  3.8995 22.793   2.5864  45.154  5.3700 48.998  5.6557 -3.843578      7.798932 
1 1 1 33 9  8  o 38.714  5.4642 16.364   2.8820  37.784  7.6014 39.645  7.8517 -1.861137      10.92840 
1 1 1 33 9  10 o 91.600  2.4737 85.013   3.2018  92.102  3.5729 91.098  3.4222 1.004730       4.947446 
1 1 1 33 9  12 o 40.669  5.0153 17.445   2.7334  43.998  7.8972 37.341  6.1844 6.657436       10.03058 
1 1 1 33 9  14 o 67.908  3.4589 47.533   3.2993  69.175  5.1744 66.641  4.5915 2.534058       6.917839 
1 1 1 33 9  16 o 66.672  3.3985 46.244   3.2039  66.739  4.7577 66.604  4.8541 0.1350250      6.796907 
1 1 1 33 9  18 o 54.673  3.9802 31.891   3.0555  52.590  6.0378 56.756  5.1878 -4.165653      7.960397 
1 1 1 33 9  20 o 38.153  6.0286 17.897   3.1753  37.121  8.6970 39.184  8.3511 -2.063316      12.05729 
1 1 1 33 9  22 o 34.435  6.2140 15.599   3.2494  26.939  9.8529 41.931  7.5748 -14.99167      12.42809 
1 1 1 33 9  24 o 18.029  5.7061 -1.9701  3.2616  22.193  9.1589 13.864  6.8083 8.328471       11.41219 
1 1 1 33 9  26 f 31.737  6.8216 15.418   3.3325  32.491  9.1863 30.984  10.087 1.507517       13.64315 
1 1 1 33 10 1  f 70.776  2.8336 50.979   2.8277  66.844  4.1457 74.707  3.8639 -7.863571      5.667148 
1 1 1 33 10 3  o 91.278  2.5299 84.475   3.2555  91.065  3.7404 91.492  3.4075 -0.4270020     5.059796 
1 1 1 33 10 5  o 111.337 2.3684 125.545  3.7217  113.156 3.2143 109.517 3.4792 3.638924       4.736712 
1 1 1 33 10 7  o 45.617  4.1044 21.610   2.6113  46.812  5.1798 44.422  6.3682 2.389877       8.208817 
1 1 1 33 10 9  o 73.447  2.7810 54.885   2.8762  74.230  4.1221 72.665  3.7342 1.564857       5.561967 
1 1 1 33 10 11 o 61.519  3.5634 39.231   3.0884  64.213  4.7651 58.825  5.2997 5.388062       7.126891 
1 1 1 33 10 13 o 40.801  4.5077 17.738   2.5284  36.803  6.6776 44.800  6.0568 -7.996841      9.015305 
1 1 1 33 10 15 o 33.510  6.2287 13.209   3.0587  28.700  9.2297 38.321  8.3665 -9.621719      12.45735 
1 1 1 33 10 17 o 56.065  4.4052 33.847   3.4907  57.451  6.2304 54.680  6.2293 2.770866       8.810351 
1 1 1 33 10 19 o 19.325  5.9708 0.2477   3.1658  22.476  9.2510 16.175  7.5513 6.300934       11.94162 
1 1 1 33 10 21 o 29.752  6.4126 11.562   2.9976  32.361  8.7218 27.143  9.4030 5.218256       12.82518 
1 1 1 33 10 23 o 35.466  7.0822 18.224   3.6992  32.843  11.503 38.089  8.2653 -5.245777      14.16447 
1 1 1 33 10 25 o 16.988  5.5635 -0.5476  2.8305  19.817  8.9708 14.160  6.5831 5.656645       11.12706 
1 1 1 33 11 0  o 48.486  6.1402 24.248   6.0042  48.486  6.1402 ?       ?      0.000000       0.000000 
1 1 1 33 11 2  o 90.110  2.4713 82.924   3.0280  92.857  2.8600 87.363  4.0311 5.493240       4.942571 
1 1 1 33 11 4  o 119.850 2.2818 145.061  3.8646  122.509 3.2516 117.191 3.2021 5.318253       4.563630 
1 1 1 33 11 6  o 112.290 2.2394 127.521  3.5390  112.295 3.3417 112.286 2.9821 0.8750916E-02  4.478862 
1 1 1 33 11 8  o 34.289  5.8371 13.283   2.7997  34.962  8.0818 33.615  8.4244 1.346611       11.67416 
1 1 1 33 11 10 o 35.892  5.2322 14.149   2.5428  34.687  6.9024 37.097  7.8650 -2.409500      10.46430 
1 1 1 33 11 12 o 29.427  6.5000 9.9366   3.0010  28.979  9.3179 29.875  9.0653 -0.8956470     13.00009 
1 1 1 33 11 14 o 42.703  5.1208 20.150   3.0307  43.263  6.9391 42.142  7.5325 1.121658       10.24157 
1 1 1 33 11 16 o 31.392  6.3007 11.829   2.9258  29.926  9.7562 32.857  7.9759 -2.930674      12.60150 
1 1 1 33 11 18 o 21.450  6.5806 2.0351   3.6371  24.457  10.206 18.443  8.3106 6.013990       13.16128 
1 1 1 33 11 20 o 50.566  4.4558 28.284   2.8147  50.375  7.7932 50.757  4.3222 -0.3827133     8.911518 
1 1 1 33 11 22 f 24.920  6.7043 7.2560   2.9980  31.135  10.986 18.704  7.6879 12.43085       13.40857 
1 1 1 33 11 24 o 19.953  6.2323 2.1048   3.3353  20.289  9.5573 19.617  8.0016 0.6712112      12.46463 
1 1 1 33 11 26 o 16.764  5.6137 -1.8929  3.1431  18.485  8.8597 15.043  6.8965 3.442061       11.22748 
1 1 1 33 12 1  o 66.952  3.2597 46.186   3.0598  61.865  4.9460 72.040  4.2474 -10.17506      6.519448 
1 1 1 33 12 3  o 101.959 2.3326 105.416  3.3236  102.389 2.9884 101.530 3.5823 0.8582382      4.665157 
1 1 1 33 12 5  o 106.762 2.4504 115.827  3.6867  107.004 3.2912 106.519 3.6313 0.4847870      4.900844 
1 1 1 33 12 7  o 34.605  5.6459 13.501   3.0587  23.549  9.1802 45.660  6.5748 -22.11156      11.29176 
1 1 1 33 12 9  o 72.435  3.1281 53.838   3.2018  70.336  4.4324 74.534  4.4151 -4.198807      6.256110 
1 1 1 33 12 11 o 94.074  2.4284 89.707   3.2072  97.748  3.6028 90.400  3.2570 7.347908       4.856767 
1 1 1 33 12 13 o 31.529  5.8495 11.721   2.8183  25.123  9.1742 37.935  7.2594 -12.81239      11.69892 
1 1 1 33 12 15 o 19.460  6.1191 -0.1480  3.2685  20.651  9.2690 18.268  7.9912 2.382898       12.23821 
1 1 1 33 12 17 o 21.034  5.6466 2.5659   2.6899  17.816  8.5219 24.253  7.4102 -6.437471      11.29313 
1 1 1 33 12 19 o 41.912  6.0254 22.918   3.0937  34.549  11.000 49.275  4.9209 -14.72560      12.05081 
1 1 1 33 12 21 o 57.248  4.5917 37.166   3.3103  57.070  7.9917 57.426  4.5240 -0.3565254     9.183354 
1 1 1 33 12 23 o 22.085  5.6337 3.6417   2.9489  16.706  8.1116 27.465  7.8203 -10.75890      11.26743 
1 1 1 33 12 25 o 20.379  5.6861 3.2330   2.8770  16.800  8.0824 23.958  8.0001 -7.158302      11.37223 
1 1 1 33 13 0  f 171.842 2.8911 297.206  9.9300  171.842 2.8911 ?       ?      0.000000       0.000000 
1 1 1 33 13 2  o 142.658 2.1901 206.197  4.4163  140.764 3.1580 144.552 3.0354 -3.787552      4.380248 
1 1 1 33 13 4  o 82.009  2.7622 68.521   3.1976  83.589  4.0059 80.430  3.8043 3.159203       5.524491 
1 1 1 33 13 6  o 60.153  3.6081 37.464   3.0424  60.041  5.4809 60.265  4.6941 -0.2245369     7.216246 
1 1 1 33 13 8  f 96.511  2.2978 94.920   3.1004  98.301  2.9365 94.721  3.5351 3.579750       4.595652 
1 1 1 33 13 10 o 98.535  2.5054 98.946   3.4811  101.516 3.6397 95.554  3.4439 5.962585       5.010741 
1 1 1 33 13 12 o 77.989  3.1801 61.421   3.3854  85.127  4.9508 70.851  3.9927 14.27596       6.360175 
1 1 1 33 13 14 o 52.603  4.1705 27.960   2.8438  58.820  6.8706 46.386  4.7295 12.43386       8.341054 
1 1 1 33 13 16 o 42.759  6.1265 22.627   3.3087  39.358  10.818 46.160  5.7532 -6.801575      12.25296 
1 1 1 33 13 18 o 32.585  6.8973 13.860   3.2582  35.299  10.873 29.871  8.4892 5.427713       13.79452 
1 1 1 33 13 20 o 25.207  6.4113 8.0825   2.6896  27.194  10.263 23.220  7.6863 3.974033       12.82254 
1 1 1 33 13 22 o 20.726  5.9479 0.9670   3.4342  16.328  8.0417 25.124  8.7658 -8.796339      11.89572 
1 1 1 33 13 24 o 24.344  6.4588 8.0572   2.6546  27.266  10.548 21.423  7.4573 5.843243       12.91755 
1 1 1 33 14 1  o 122.115 2.1567 151.104  3.7235  124.183 3.0218 120.047 3.0778 4.135246       4.313308 
1 1 1 33 14 3  o 95.604  2.5447 93.808   3.3974  90.833  3.9406 100.376 3.2209 -9.542755      5.089484 
1 1 1 33 14 5  o 24.943  6.4770 5.7921   3.1711  21.283  8.9905 28.603  9.3262 -7.319923      12.95401 
1 1 1 33 14 7  o 55.809  3.6205 32.497   2.8505  54.798  4.9516 56.821  5.2834 -2.022366      7.241090 
1 1 1 33 14 9  o 63.401  3.5003 42.774   3.0307  73.437  4.1666 53.364  5.6257 20.07335       7.000602 
1 1 1 33 14 11 o 24.971  6.2771 6.3686   2.7436  23.753  10.147 26.189  7.3928 -2.436035      12.55420 
1 1 1 33 14 13 o 25.277  6.8265 6.7694   3.2144  27.162  10.656 23.391  8.5351 3.771513       13.65301 
1 1 1 33 14 15 o 21.452  6.4415 3.5618   3.2878  22.732  9.7937 20.173  8.3698 2.558619       12.88299 
1 1 1 33 14 17 o 33.343  5.9983 14.766   3.2635  24.245  10.317 42.441  6.1214 -18.19575      11.99670 
1 1 1 33 14 19 o 40.989  5.8259 20.863   3.1267  43.216  9.3486 38.761  6.9548 4.454895       11.65187 
1 1 1 33 14 21 o 18.380  5.6842 1.3974   2.7994  21.013  8.8074 15.748  7.1882 5.264817       11.36837 
1 1 1 33 14 23 o 18.499  5.8459 1.0221   3.0106  22.811  9.5759 14.188  6.7082 8.622931       11.69178 
1 1 1 33 15 0  o 115.965 3.4919 136.248  8.0825  115.965 3.4919 ?       ?      0.000000       0.000000 
1 1 1 33 15 2  o 80.979  2.6526 67.276   3.0285  82.675  3.5613 79.283  3.9322 3.391930       5.305186 
1 1 1 33 15 4  o 15.940  5.2006 -4.6410  2.8242  12.894  6.3059 18.987  8.2718 -6.092268      10.40124 
1 1 1 33 15 6  f 42.144  5.4811 20.110   3.1334  43.601  7.9767 40.687  7.5195 2.914063       10.96224 
1 1 1 33 15 8  o 41.464  5.4486 19.733   3.0755  52.146  6.3107 30.781  8.8840 21.36431       10.89724 
1 1 1 33 15 10 o 33.708  6.3850 13.961   3.0922  30.041  10.744 37.376  6.9014 -7.334444      12.76995 
1 1 1 33 15 12 o 38.996  6.5564 18.322   3.3410  42.560  10.606 35.432  7.7101 7.128197       13.11270 
1 1 1 33 15 14 o 37.514  6.3317 18.431   3.2474  32.479  11.094 42.549  6.1058 -10.06973      12.66345 
1 1 1 33 15 16 o 58.334  4.5128 35.999   3.2057  63.081  7.8707 53.586  4.4172 9.495403       9.025547 
1 1 1 33 15 18 o 24.197  6.3011 6.4288   3.3410  19.712  9.2204 28.682  8.5907 -8.969694      12.60220 
1 1 1 33 15 20 o 18.600  5.6347 2.0821   2.6594  21.525  8.7361 15.675  7.1189 5.850363       11.26935 
1 1 1 33 15 22 o 23.379  6.6127 7.0692   3.4510  21.779  10.056 24.978  8.5904 -3.198874      13.22538 
1 1 1 33 16 1  o 80.858  2.9035 67.392   3.3073  82.268  4.2807 79.448  3.9240 2.819580       5.807096 
1 1 1 33 16 3  o 37.675  6.3657 16.989   3.3445  36.902  9.3671 38.448  8.6225 -1.546875      12.73147 
1 1 1 33 16 5  o 51.999  4.1406 28.978   3.0285  50.065  6.2270 53.932  5.4594 -3.866791      8.281294 
1 1 1 33 16 7  o 35.450  6.2689 14.786   3.0508  38.465  9.6207 32.434  8.0400 6.031429       12.53789 
1 1 1 33 16 9  o 59.058  4.0177 38.473   3.0483  54.701  6.9657 63.415  4.0057 -8.713978      8.035353 
1 1 1 33 16 11 f 35.308  5.4027 15.151   2.6105  31.576  9.0426 39.040  5.9152 -7.464369      10.80547 
1 1 1 33 16 13 o 57.228  4.2450 35.578   3.3068  60.891  6.7317 53.564  5.1735 7.327057       8.490016 
1 1 1 33 16 15 o 25.460  6.8005 8.1219   3.1936  25.663  10.773 25.257  8.3022 0.4065933      13.60095 
1 1 1 33 16 17 o 35.323  5.7732 17.820   2.9251  25.159  10.491 45.487  4.8230 -20.32782      11.54649 
1 1 1 33 16 19 o 15.665  5.1046 -1.5379  2.6692  15.096  7.2189 16.234  7.2190 -1.137614      10.20913 
1 1 1 33 16 21 o 16.569  5.5151 -1.6922  3.0260  17.938  8.5938 15.199  6.9146 2.738839       11.03021 
1 1 1 33 17 0  o 133.451 3.1186 180.240  8.3135  133.451 3.1186 ?       ?      0.000000       0.000000 
1 1 1 33 17 2  o 94.820  3.1324 93.873   4.0918  93.834  4.9836 95.805  3.7964 -1.970917      6.264871 
1 1 1 33 17 4  o 86.936  3.2175 77.942   3.7594  90.268  5.2444 83.605  3.7289 6.663765       6.434965 
1 1 1 33 17 6  o 18.604  5.9497 -2.4774  3.5692  16.493  7.9692 20.714  8.8368 -4.220346      11.89947 
1 1 1 33 17 8  o 38.535  5.9009 15.651   3.1287  55.860  8.6816 21.211  7.9945 34.64902       11.80179 
1 1 1 33 17 10 o 39.098  6.4103 18.596   3.2006  42.985  10.542 35.211  7.2959 7.773270       12.82058 
1 1 1 33 17 12 o 30.409  6.2841 12.203   3.1495  24.616  9.9152 36.201  7.7233 -11.58454      12.56818 
1 1 1 33 17 14 o 53.149  5.4887 33.464   3.3740  52.649  9.9039 53.650  4.7348 -1.001030      10.97749 
1 1 1 33 17 16 o 52.428  4.7475 30.499   2.9212  54.323  8.5021 50.532  4.2272 3.790817       9.494989 
1 1 1 33 17 18 o 25.486  6.4281 9.6935   3.0241  22.724  9.1340 28.248  9.0471 -5.523748      12.85612 
1 1 1 33 18 1  o 45.153  5.5223 24.657   3.3395  50.936  6.2339 39.370  9.1172 11.56576       11.04463 
1 1 1 33 18 3  o 62.818  3.9449 41.825   3.1379  65.580  6.7786 60.057  4.0375 5.523415       7.889875 
1 1 1 33 18 5  o 19.215  5.9229 1.6858   2.9097  20.418  9.0295 18.011  7.6675 2.406378       11.84573 
1 1 1 33 18 7  o 31.126  7.0342 13.241   3.5757  34.059  9.7004 28.193  10.189 5.865656       14.06842 
1 1 1 33 18 9  o 51.028  4.8599 29.377   3.1860  51.256  8.3350 50.801  5.0003 0.4546852      9.719895 
1 1 1 33 18 11 o 25.961  6.3887 8.7582   2.9080  24.305  10.013 27.617  7.9381 -3.312286      12.77747 
1 1 1 33 18 13 o 18.717  5.7190 1.2477   2.8770  17.744  8.3947 19.689  7.7690 -1.945415      11.43802 
1 1 1 33 18 15 o 25.706  6.3862 8.8295   3.0784  22.652  9.8822 28.761  8.0919 -6.109022      12.77247 
1 1 1 33 18 17 o 26.369  6.8388 10.314   3.1245  31.251  10.922 21.486  8.2327 9.765404       13.67763 
1 1 1 33 19 0  o 62.646  6.2895 42.722   7.7361  62.646  6.2895 ?       ?      0.000000       0.000000 
1 1 1 33 19 2  o 34.612  6.6743 14.958   3.1402  39.569  10.586 29.655  8.1313 9.914122       13.34863 
1 1 1 33 19 4  o 29.535  6.6183 10.776   2.9979  36.080  10.343 22.990  8.2596 13.09012       13.23651 
1 1 1 33 19 6  f 29.442  6.9885 11.764   3.3254  28.974  11.199 29.910  8.3632 -0.9355793     13.97690 
1 1 1 33 19 8  o 29.243  6.8543 11.663   3.9073  22.103  9.8289 36.383  9.5560 -14.28007      13.70857 
1 1 1 33 19 10 o 19.905  6.3230 2.0044   3.2971  22.134  10.072 17.676  7.6464 4.458630       12.64592 
1 1 1 33 19 12 o 16.572  5.4081 -1.5773  2.9662  16.447  7.6848 16.697  7.6113 -0.2504673     10.81614 
1 1 1 33 19 14 o 17.670  5.8320 0.0796   3.0260  21.418  9.6648 13.922  6.5299 7.496539       11.66392 
1 1 1 33 19 16 o 29.172  7.0454 12.663   3.2150  31.691  11.334 26.652  8.3724 5.038891       14.09074 
1 1 1 33 20 1  o 21.891  6.3347 2.9925   3.6306  18.307  8.8081 25.476  9.1068 -7.169670      12.66946 
1 1 1 33 20 3  o 17.284  5.7512 -3.3485  3.3254  21.390  9.5377 13.178  6.4294 8.212287       11.50233 
1 1 1 33 20 5  o 19.155  6.0333 0.5232   3.3340  18.702  8.9781 19.608  8.0619 -0.9060001     12.06651 
1 1 1 33 20 7  o 25.103  6.3304 7.4238   3.3617  19.969  9.2006 30.236  8.6973 -10.26732      12.66070 
1 1 1 33 20 9  o 21.499  6.8319 2.8441   4.2783  22.058  10.109 20.939  9.1928 1.119738       13.66383 
1 1 1 33 20 11 f 30.346  7.1307 14.408   3.5040  33.401  10.789 27.292  9.3262 6.109560       14.26130 
1 1 1 33 20 13 o 24.679  6.6482 8.7944   3.5003  21.580  9.7334 27.778  9.0584 -6.197983      13.29638 
1 1 1 33 21 0  o 49.028  6.4153 27.019   6.1196  49.028  6.4153 ?       ?      0.000000       0.000000 
1 1 1 33 21 2  o 46.732  4.1899 24.580   2.7519  43.359  5.8585 50.104  5.9916 -6.745152      8.379878 
1 1 1 33 21 4  o 25.989  6.3553 8.5641   3.3532  20.772  9.4715 31.207  8.4765 -10.43530      12.71062 
1 1 1 33 21 6  o 18.772  6.1653 0.5739   3.3997  21.187  9.8864 16.358  7.3692 4.828226       12.33069 
1 1 1 33 21 8  o 21.720  6.4766 5.6608   3.1245  25.894  10.475 17.547  7.6193 8.346495       12.95324 
1 1 1 33 21 10 o 20.943  6.6663 2.6637   4.0597  25.658  10.844 16.228  7.7564 9.429935       13.33264 
1 1 1 33 22 1  o 60.336  3.5886 41.068   3.0555  63.390  5.0091 57.282  5.1401 6.107941       7.177190 
1 1 1 33 22 3  o 29.128  5.8250 11.662   3.1753  18.312  8.2448 39.945  8.2307 -21.63207      11.64991 
1 1 1 33 22 5  o 21.396  6.3298 4.4555   3.5115  19.098  9.1088 23.695  8.7917 -4.597408      12.65959 
1 1 1 33 22 7  o 20.154  6.4433 2.7156   3.6350  22.126  10.070 18.181  8.0418 3.944973       12.88667 
1 1 1 34 1  1  o 57.311  3.3048 33.620   2.6507  54.549  5.0801 60.074  4.2285 -5.524826      6.609668 
1 1 1 34 1  3  o 51.096  4.1454 26.512   2.9621  46.967  5.6543 55.224  6.0634 -8.257061      8.290752 
1 1 1 34 1  5  o 27.376  6.2847 7.8873   2.7926  28.154  8.6228 26.598  9.1454 1.555828       12.56941 
1 1 1 34 1  7  o 48.406  3.8213 24.183   2.5774  49.129  4.8180 47.683  5.9327 1.446194       7.642671 
1 1 1 34 1  9  o 53.125  4.3089 29.664   3.1490  56.187  5.1376 50.064  6.9190 6.122478       8.617836 
1 1 1 34 1  11 o 69.988  4.4771 51.893   3.6306  72.565  3.7393 67.411  8.1361 5.154076       8.954221 
1 1 1 34 1  13 o 53.561  5.4501 35.066   3.1975  66.074  3.9319 41.049  10.166 25.02491       10.90023 
1 1 1 34 1  15 o 29.099  6.6399 9.5836   3.1004  29.038  9.0096 29.160  9.7562 -0.1219997     13.27988 
1 1 1 34 1  17 o 40.738  6.1156 19.653   3.3475  45.856  6.2949 35.619  10.487 10.23691       12.23126 
1 1 1 34 1  19 o 68.872  3.9942 52.168   3.4823  75.087  3.8444 62.658  7.0026 12.42902       7.988426 
1 1 1 34 1  21 o 42.176  6.0344 22.134   3.0751  46.033  5.1420 38.320  10.919 7.713345       12.06885 
1 1 1 34 1  23 o 41.323  6.2569 21.876   3.3795  45.455  6.0964 37.191  10.928 8.264439       12.51379 
1 1 1 34 1  25 o 19.769  6.2241 1.9467   3.3666  18.246  8.0269 21.291  9.5144 -3.045603      12.44813 
1 1 1 34 1  27 o 21.309  6.6388 4.5536   3.2177  15.650  7.0783 26.968  11.234 -11.31854      13.27767 
1 1 1 34 2  0  o 74.572  4.0509 56.462   6.0042  74.572  4.0509 ?       ?      0.000000       0.000000 
1 1 1 34 2  2  o 38.648  5.2343 16.541   2.7396  47.090  5.6396 30.206  8.8196 16.88347       10.46861 
1 1 1 34 2  4  o 34.650  5.8471 13.072   2.9015  41.878  7.7352 27.422  8.7703 14.45578       11.69413 
1 1 1 34 2  6  o 44.344  4.6656 20.531   2.9152  41.889  6.8912 46.799  6.2915 -4.910309      9.331164 
1 1 1 34 2  8  o 23.988  6.3723 5.0918   2.9160  23.600  8.6276 24.376  9.3802 -0.7756958     12.74458 
1 1 1 34 2  10 o 61.051  4.2236 37.574   3.5458  54.368  5.5218 67.734  6.3925 -13.36685      8.447161 
1 1 1 34 2  12 o 43.577  4.8182 20.428   2.8820  45.377  6.1070 41.777  7.4541 3.599201       9.636328 
1 1 1 34 2  14 o 58.011  4.2890 35.840   3.4290  63.798  5.1581 52.224  6.8539 11.57307       8.577980 
1 1 1 34 2  16 o 32.394  6.9668 12.299   3.3437  31.037  8.6242 33.750  10.944 -2.713808      13.93364 
1 1 1 34 2  18 o 50.898  5.1237 28.962   3.3475  53.239  5.3136 48.557  8.7621 4.682034       10.24735 
1 1 1 34 2  20 o 28.033  6.8660 9.4873   3.2176  28.331  8.3849 27.736  10.875 0.5947819      13.73199 
1 1 1 34 2  22 o 26.080  6.6785 8.2759   3.3250  28.557  8.5983 23.602  10.221 4.955427       13.35690 
1 1 1 34 2  24 o 24.499  7.0790 7.5745   3.7171  22.938  9.0548 26.060  10.884 -3.122946      14.15802 
1 1 1 34 2  26 o 18.404  6.1282 -0.6656  3.5862  15.670  7.2920 21.139  9.8512 -5.469559      12.25642 
1 1 1 34 3  1  o 124.820 2.2070 157.508  3.8370  122.858 3.4303 126.783 2.7777 -3.924347      4.413954 
1 1 1 34 3  3  o 27.927  5.9788 8.3084   2.6507  31.315  8.0648 24.539  8.8286 6.776064       11.95762 
1 1 1 34 3  5  o 48.776  4.3992 24.793   3.0010  53.536  5.7155 44.016  6.6892 9.519142       8.798409 
1 1 1 34 3  7  o 77.561  2.6621 61.129   2.9129  78.638  3.5974 76.484  3.9251 2.153999       5.324242 
1 1 1 34 3  9  f 100.617 2.6072 102.729  3.6723  101.242 3.3644 99.992  3.9838 1.249878       5.214439 
1 1 1 34 3  11 o 58.560  3.2197 35.483   2.6113  55.494  5.0976 61.626  3.9346 -6.131809      6.439461 
1 1 1 34 3  13 o 103.154 2.4175 108.147  3.5179  102.038 3.5645 104.270 3.2667 -2.231888      4.834999 
1 1 1 34 3  15 o 71.346  2.8308 52.501   2.8277  76.115  3.6408 66.577  4.3358 9.538109       5.661637 
1 1 1 34 3  17 f 80.806  2.5803 66.911   2.9432  77.166  3.7408 84.447  3.5550 -7.281342      5.160566 
1 1 1 34 3  19 o 65.055  3.6509 43.905   3.2280  61.880  4.3850 68.229  5.8384 -6.349628      7.301736 
1 1 1 34 3  21 o 20.387  6.2960 2.2530   3.2311  18.735  7.9548 22.039  9.7611 -3.304026      12.59198 
1 1 1 34 3  23 o 19.129  5.9138 1.4695   2.9391  18.676  7.6840 19.582  8.9915 -0.9060631     11.82757 
1 1 1 34 3  25 o 19.456  6.1363 1.6762   3.1803  16.602  7.4671 22.311  9.7396 -5.708916      12.27262 
1 1 1 34 3  27 o 18.185  5.9816 0.1427   3.5239  16.367  7.5779 20.003  9.2572 -3.635862      11.96323 
1 1 1 34 4  0  o 135.557 2.9844 184.743  8.0825  135.557 2.9844 ?       ?      0.000000       0.000000 
1 1 1 34 4  2  o 90.709  2.7006 83.365   3.4630  90.689  3.8832 90.729  3.7543 -0.3981018E-01 5.401293 
1 1 1 34 4  4  o 53.791  3.7190 29.658   2.8183  52.753  5.0342 54.828  5.4754 -2.075405      7.437954 
1 1 1 34 4  6  o 125.196 2.1524 158.246  3.8068  124.496 2.9679 125.896 3.1183 -1.400330      4.304873 
1 1 1 34 4  8  o 102.221 2.3603 105.800  3.4023  100.854 3.4919 103.588 3.1768 -2.733818      4.720685 
1 1 1 34 4  10 o 68.252  3.2297 47.661   3.1165  67.266  4.5488 69.237  4.5861 -1.970741      6.459404 
1 1 1 34 4  12 o 28.949  5.5893 8.7753   2.7712  38.236  7.5152 19.663  8.2754 18.57374       11.17860 
1 1 1 34 4  14 o 52.318  4.1521 28.863   2.9921  60.839  5.2192 43.797  6.4590 17.04164       8.304134 
1 1 1 34 4  16 o 22.220  6.2640 3.9168   2.9729  21.262  8.7002 23.178  9.0142 -1.916037      12.52794 
1 1 1 34 4  18 o 24.964  6.4268 6.3309   3.0555  28.967  9.5005 20.961  8.6578 8.006460       12.85369 
1 1 1 34 4  20 o 36.218  6.1047 16.265   3.0819  37.955  8.6996 34.480  8.5665 3.474281       12.20937 
1 1 1 34 4  22 o 18.431  5.7402 0.4530   2.9743  17.467  8.0581 19.395  8.1771 -1.928114      11.48033 
1 1 1 34 4  24 o 18.471  5.7727 1.1503   2.9716  18.611  7.8823 18.331  8.4360 0.2804546      11.54543 
1 1 1 34 4  26 o 16.530  5.5953 -4.0083  3.6810  16.335  7.6251 16.726  8.1906 -0.3905811     11.19054 
1 1 1 34 5  1  o 52.129  4.5827 28.953   3.2494  46.190  7.4992 58.068  5.2694 -11.87729      9.165428 
1 1 1 34 5  3  o 18.003  5.4683 0.2444   2.4167  15.795  6.9148 20.211  8.4732 -4.415827      10.93665 
1 1 1 34 5  5  o 96.983  2.5472 95.385   3.4926  96.258  3.6586 97.709  3.5452 -1.451004      5.094442 
1 1 1 34 5  7  o 106.489 2.2646 114.739  3.3218  105.833 3.6003 107.146 2.7480 -1.313065      4.529216 
1 1 1 34 5  9  o 33.639  6.1348 12.701   2.9443  34.896  8.5036 32.383  8.8449 2.512295       12.26961 
1 1 1 34 5  11 o 20.253  5.8804 0.7313   2.9432  16.369  7.6067 24.138  8.9696 -7.769363      11.76079 
1 1 1 34 5  13 o 24.055  6.4317 5.3158   3.0010  24.216  9.0469 23.893  9.1443 0.3236294      12.86330 
1 1 1 34 5  15 o 26.046  6.3139 7.2607   2.9262  22.977  9.1753 29.115  8.6761 -6.138004      12.62782 
1 1 1 34 5  17 o 56.836  3.9622 34.339   3.1711  55.592  5.9194 58.079  5.2683 -2.487057      7.924348 
1 1 1 34 5  19 o 37.048  6.1530 16.642   3.1658  39.103  8.7792 34.993  8.6234 4.110271       12.30602 
1 1 1 34 5  21 o 28.918  6.8110 11.160   3.3133  26.780  9.8473 31.056  9.4122 -4.275503      13.62194 
1 1 1 34 5  23 o 16.937  5.4939 -1.7341  3.0555  15.484  7.3921 18.390  8.1295 -2.906182      10.98779 
1 1 1 34 5  25 o 25.106  6.5624 8.1214   3.2494  30.094  9.9230 20.118  8.5903 9.975752       13.12474 
1 1 1 34 5  27 o 22.613  6.2954 6.4330   3.0241  19.539  8.3434 25.686  9.4297 -6.147152      12.59089 
1 1 1 34 6  0  o 78.545  3.7671 62.582   5.8887  78.545  3.7671 ?       ?      0.000000       0.000000 
1 1 1 34 6  2  o 43.908  5.1603 21.081   3.0087  39.420  8.5867 48.397  5.7258 -8.977608      10.32069 
1 1 1 34 6  4  o 70.705  2.8927 50.828   2.8820  75.350  3.9842 66.060  4.1949 9.289993       5.785439 
1 1 1 34 6  6  o 91.865  2.5996 85.553   3.3771  92.231  3.6931 91.499  3.6596 0.7324295      5.199197 
1 1 1 34 6  8  o 82.887  2.8427 70.107   3.3133  84.832  3.7430 80.942  4.2796 3.890182       5.685492 
1 1 1 34 6  10 o 67.107  3.3774 46.386   3.2018  69.503  4.7347 64.711  4.8177 4.792343       6.754789 
1 1 1 34 6  12 o 59.989  3.6447 37.195   3.0819  63.739  5.0722 56.240  5.2354 7.499622       7.289482 
1 1 1 34 6  14 o 38.142  5.3255 16.284   2.7603  39.024  7.8208 37.261  7.2304 1.763203       10.65100 
1 1 1 34 6  16 o 51.688  3.8980 27.771   2.7921  55.645  5.9138 47.732  5.0800 7.913357       7.796089 
1 1 1 34 6  18 o 79.608  2.7195 65.429   3.0587  80.272  3.7399 78.943  3.9491 1.329147       5.438928 
1 1 1 34 6  20 o 46.674  4.4604 24.467   2.9432  46.168  6.2524 47.179  6.3632 -1.010864      8.920882 
1 1 1 34 6  22 o 29.895  6.8524 12.263   3.3126  29.171  10.224 30.619  9.1263 -1.447765      13.70475 
1 1 1 34 6  24 o 20.062  6.0923 2.2124   3.2289  23.395  9.3897 16.728  7.7652 6.666485       12.18462 
1 1 1 34 6  26 o 15.473  5.2547 -5.6116  3.4485  14.043  6.9651 16.903  7.8699 -2.860137      10.50942 
1 1 1 34 7  1  o 144.395 2.1379 210.583  4.3494  145.138 2.8640 143.651 3.1749 1.486771       4.275825 
1 1 1 34 7  3  o 90.183  2.8132 82.438   3.5459  91.386  4.2959 88.980  3.6334 2.406113       5.626381 
1 1 1 34 7  5  f 36.166  5.7411 14.549   2.8866  31.693  8.8005 40.638  7.3750 -8.944693      11.48216 
1 1 1 34 7  7  o 53.399  3.9502 29.529   2.9505  53.553  6.0370 53.244  5.0962 0.3094711      7.900393 
1 1 1 34 7  9  o 47.154  4.4567 23.701   2.9015  43.863  7.1074 50.445  5.3790 -6.581676      8.913429 
1 1 1 34 7  11 o 58.621  3.5818 35.305   2.9505  62.089  5.2071 55.154  4.9197 6.934631       7.163595 
1 1 1 34 7  13 o 97.926  2.4625 97.856   3.4062  100.667 3.3836 95.184  3.5785 5.482826       4.924932 
1 1 1 34 7  15 o 64.974  3.3620 43.988   3.0500  72.730  4.4452 57.218  5.0449 15.51188       6.723948 
1 1 1 34 7  17 o 56.037  3.8826 33.369   3.0326  55.709  6.0107 56.365  4.9164 -0.6563759     7.765271 
1 1 1 34 7  19 o 76.725  2.7779 61.223   2.9477  75.094  3.4596 78.356  4.3471 -3.261063      5.555726 
1 1 1 34 7  21 o 72.895  3.5279 57.220   3.6335  75.051  5.0001 70.739  4.9784 4.312096       7.055852 
1 1 1 34 7  23 o 22.430  6.1702 5.5656   2.9921  19.308  8.4991 25.553  8.9469 -6.244576      12.34031 
1 1 1 34 7  25 o 22.493  6.4340 6.7235   3.2596  19.540  8.5506 25.447  9.6163 -5.907642      12.86799 
1 1 1 34 8  0  o 45.806  6.1018 21.823   5.5423  45.806  6.1018 ?       ?      0.000000       0.000000 
1 1 1 34 8  2  o 94.284  2.4902 89.982   3.3133  93.358  3.4012 95.211  3.6382 -1.852768      4.980408 
1 1 1 34 8  4  o 45.607  4.5198 21.732   2.9129  44.467  6.3618 46.748  6.4218 -2.281250      9.039509 
1 1 1 34 8  6  o 102.646 2.4067 106.912  3.4907  102.777 3.4827 102.515 3.3226 0.2622604      4.813419 
1 1 1 34 8  8  o 102.591 2.4875 107.006  3.6080  100.804 3.5509 104.378 3.4846 -3.574196      4.975022 
1 1 1 34 8  10 o 109.500 2.3735 122.187  3.5922  107.551 3.7575 111.448 2.9009 -3.896774      4.747015 
1 1 1 34 8  12 o 21.186  6.1696 2.6546   2.9921  20.692  8.7904 21.680  8.6595 -0.9877949     12.33923 
1 1 1 34 8  14 o 24.743  6.3926 6.4557   2.9129  25.235  9.1782 24.250  8.9007 0.9848213      12.78518 
1 1 1 34 8  16 o 22.007  6.2438 2.4185   3.1831  16.627  7.6515 27.387  9.8689 -10.76035      12.48765 
1 1 1 34 8  18 o 43.537  5.6580 23.143   3.3173  35.783  9.3979 51.290  6.3033 -15.50686      11.31601 
1 1 1 34 8  20 o 68.067  3.1538 49.039   3.0087  67.151  4.1268 68.983  4.7704 -1.832359      6.307647 
1 1 1 34 8  22 o 36.608  6.5331 18.437   3.4329  40.748  8.4962 32.468  9.9267 8.280766       13.06619 
1 1 1 34 8  24 o 21.019  6.3645 4.5119   3.3905  20.500  9.0522 21.538  8.9491 -1.038002      12.72907 
1 1 1 34 9  1  o 104.091 2.4922 110.067  3.6658  105.878 3.4352 102.303 3.6117 3.574722       4.984461 
1 1 1 34 9  3  o 118.230 2.3861 141.996  3.9827  115.568 3.4969 120.892 3.2474 -5.323997      4.772158 
1 1 1 34 9  5  o 115.557 2.2616 135.348  3.6913  115.982 3.2853 115.133 3.1089 0.8495178      4.523113 
1 1 1 34 9  7  o 71.862  3.2937 53.019   3.3395  69.920  4.5413 73.803  4.7717 -3.882927      6.587304 
1 1 1 34 9  9  o 92.737  2.6390 87.095   3.4293  96.726  3.9393 88.749  3.5128 7.977394       5.278046 
1 1 1 34 9  11 o 84.993  2.7665 74.598   3.2897  91.110  3.5485 78.877  4.2452 12.23312       5.532922 
1 1 1 34 9  13 o 22.465  6.1597 3.6175   3.0424  26.047  8.9634 18.883  8.4512 7.163799       12.31937 
1 1 1 34 9  15 o 34.346  6.3829 14.203   3.2555  40.757  8.6225 27.936  9.4138 12.82104       12.76580 
1 1 1 34 9  17 o 28.008  6.0393 9.2145   3.0819  20.149  8.7214 35.866  8.3566 -15.71659      12.07868 
1 1 1 34 9  19 o 36.553  6.5192 17.382   3.3574  35.844  9.8485 37.262  8.5442 -1.418518      13.03831 
1 1 1 34 9  21 o 59.483  3.6034 38.797   3.0307  59.635  5.0341 59.332  5.1571 0.3033981      7.206798 
1 1 1 34 9  23 o 55.772  3.8828 34.870   3.0598  57.118  5.3570 54.426  5.6219 2.691383       7.765543 
1 1 1 34 9  25 o 18.598  5.6916 1.9768   2.8820  20.819  8.4666 16.376  7.6089 4.442808       11.38323 
1 1 1 34 10 0  o 36.533  9.3380 16.281   5.8887  36.533  9.3380 ?       ?      0.000000       0.000000 
1 1 1 34 10 2  o 114.636 2.4392 133.468  3.9528  113.342 3.4128 115.930 3.4859 -2.588806      4.878383 
1 1 1 34 10 4  o 64.147  3.5023 42.504   3.1742  64.725  4.8166 63.569  5.0858 1.155907       7.004673 
1 1 1 34 10 6  o 21.104  5.7996 3.5526   2.4489  20.194  7.7388 22.014  8.6401 -1.820293      11.59915 
1 1 1 34 10 8  o 29.375  6.0624 9.6832   2.7274  33.936  8.6490 24.814  8.4975 9.122665       12.12487 
1 1 1 34 10 10 o 58.174  3.7820 35.630   3.0884  62.614  4.9790 53.735  5.6943 8.878960       7.564079 
1 1 1 34 10 12 o 45.386  4.7649 22.315   3.0500  46.818  6.9055 43.953  6.5674 2.864483       9.529786 
1 1 1 34 10 14 o 56.714  4.0337 33.926   3.1959  63.128  5.6701 50.301  5.7387 12.82677       8.067387 
1 1 1 34 10 16 o 50.321  4.6217 28.258   3.2745  51.962  6.7774 48.680  6.2856 3.282265       9.243412 
1 1 1 34 10 18 o 53.469  3.8568 31.133   2.9015  54.479  5.7224 52.459  5.1724 2.019936       7.713634 
1 1 1 34 10 20 o 49.643  4.5636 28.352   3.1976  50.466  6.6351 48.820  6.2675 1.646168       9.127230 
1 1 1 34 10 22 o 25.453  6.5286 7.3666   3.4485  32.960  10.186 17.945  8.1687 15.01417       13.05721 
1 1 1 34 10 24 o 25.262  6.5969 9.4731   3.2631  22.686  9.5928 27.838  9.0584 -5.152241      13.19378 
1 1 1 34 11 1  o 57.502  3.7636 34.571   2.9976  49.501  5.8314 65.502  4.7594 -16.00113      7.527128 
1 1 1 34 11 3  o 99.682  2.5185 101.020  3.5447  101.174 3.6520 98.190  3.4690 2.984238       5.036947 
1 1 1 34 11 5  o 59.580  3.6046 37.385   2.9707  65.556  4.4033 53.605  5.7081 11.95095       7.209104 
1 1 1 34 11 7  o 26.057  6.5246 7.2864   3.0307  27.507  9.2378 24.607  9.2166 2.899956       13.04925 
1 1 1 34 11 9  o 26.965  5.6533 7.9934   2.6243  33.210  7.3241 20.719  8.6138 12.49134       11.30668 
1 1 1 34 11 11 o 22.829  6.2103 4.7009   2.9015  21.069  8.8180 24.589  8.7471 -3.519648      12.42050 
1 1 1 34 11 13 o 24.555  6.4008 5.6578   3.1753  29.412  9.4956 19.698  8.5858 9.714306       12.80160 
1 1 1 34 11 15 o 34.459  6.3360 15.113   3.1133  34.241  8.7374 34.677  9.1782 -0.4366493     12.67208 
1 1 1 34 11 17 o 66.635  3.4425 47.419   3.2165  73.351  4.7224 59.920  5.0102 13.43169       6.884977 
1 1 1 34 11 19 o 45.439  5.7317 25.622   3.5970  48.825  7.8041 42.054  8.3967 6.770527       11.46338 
1 1 1 34 11 21 o 31.307  5.8319 12.946   3.1440  41.826  7.5957 20.787  8.8515 21.03864       11.66382 
1 1 1 34 11 23 o 21.929  6.6817 5.8382   3.4919  25.343  10.639 18.514  8.0864 6.829872       13.36339 
1 1 1 34 12 0  o 127.388 2.7674 163.498  7.0433  127.388 2.7674 ?       ?      0.000000       0.000000 
1 1 1 34 12 2  f 98.285  2.5334 99.130   3.4811  94.585  3.9064 101.984 3.2267 -7.399323      5.066714 
1 1 1 34 12 4  o 103.775 2.5008 109.788  3.6476  102.622 3.3192 104.927 3.7414 -2.305565      5.001534 
1 1 1 34 12 6  o 53.306  4.2698 30.314   3.1976  51.854  6.4576 54.759  5.5878 -2.905388      8.539510 
1 1 1 34 12 8  o 39.138  5.3398 17.345   2.8225  41.547  6.1141 36.730  8.7563 4.816917       10.67962 
1 1 1 34 12 10 o 47.211  4.1973 23.705   2.7640  45.754  5.4257 48.669  6.4057 -2.914066      8.394675 
1 1 1 34 12 12 o 27.596  6.4625 9.0694   3.0064  29.723  8.5026 25.468  9.7347 4.254963       12.92509 
1 1 1 34 12 14 o 18.178  5.6753 -1.1931  3.1079  15.132  7.2962 21.223  8.6949 -6.090863      11.35056 
1 1 1 34 12 16 o 18.208  5.8792 -1.3523  3.4052  19.205  8.5618 17.211  8.0594 1.993118       11.75831 
1 1 1 34 12 18 o 39.716  6.9760 21.973   3.8570  38.266  11.018 41.165  8.5586 -2.899624      13.95194 
1 1 1 34 12 20 o 31.592  6.3583 13.140   2.7012  30.898  11.044 32.286  6.3046 -1.388172      12.71659 
1 1 1 34 12 22 o 24.852  6.5630 9.1742   3.2330  22.738  10.028 26.966  8.4688 -4.227852      13.12590 
1 1 1 34 13 1  f 106.067 2.5208 115.010  3.7795  103.890 3.5565 108.243 3.5735 -4.352379      5.041694 
1 1 1 34 13 3  o 79.738  2.9605 65.814   3.3073  77.810  4.5260 81.666  3.8174 -3.855453      5.920926 
1 1 1 34 13 5  o 63.294  3.5534 41.865   3.1658  68.009  4.9236 58.579  5.1249 9.430035       7.106771 
1 1 1 34 13 7  o 38.779  5.8829 17.378   3.2654  28.436  9.2378 49.123  7.2867 -20.68680      11.76572 
1 1 1 34 13 9  o 18.905  5.9121 -0.1155  3.1133  19.205  8.5005 18.606  8.2190 0.5986900      11.82417 
1 1 1 34 13 11 o 26.083  6.3371 8.1886   2.8242  25.786  8.7824 26.380  9.1381 -0.5937805     12.67423 
1 1 1 34 13 13 o 31.632  6.6893 13.271   3.2555  28.373  9.4138 34.890  9.5062 -6.516716      13.37857 
1 1 1 34 13 15 f 26.474  6.7958 8.7828   3.4039  24.288  10.251 28.660  8.9244 -4.371960      13.59152 
1 1 1 34 13 17 o 14.897  5.1700 -6.1901  3.0148  17.409  8.4316 12.385  5.9854 5.024156       10.34003 
1 1 1 34 13 19 o 29.326  6.3728 11.942   3.1234  24.726  10.410 33.926  7.3541 -9.200565      12.74565 
1 1 1 34 13 21 o 24.323  5.7773 7.8982   2.7845  19.339  8.8204 29.306  7.4638 -9.967010      11.55457 
1 1 1 34 14 0  o 85.793  4.0570 75.283   6.9279  85.793  4.0570 ?       ?      0.000000       0.000000 
1 1 1 34 14 2  o 65.034  3.6735 44.535   3.3712  64.562  5.0076 65.507  5.3760 -0.9447098     7.346968 
1 1 1 34 14 4  o 41.395  5.3174 19.068   3.0206  36.232  7.7184 46.557  7.3161 -10.32518      10.63480 
1 1 1 34 14 6  o 17.234  5.6434 -3.4241  3.2555  17.866  8.2253 16.601  7.7290 1.265049       11.28683 
1 1 1 34 14 8  o 16.335  5.3715 -3.6578  3.0326  16.303  7.7053 16.367  7.4861 -0.6349945E-01 10.74304 
1 1 1 34 14 10 o 49.811  4.7957 28.167   3.3751  49.870  6.9459 49.752  6.6143 0.1177177      9.591387 
1 1 1 34 14 12 o 35.765  6.5010 16.542   3.3236  40.587  9.1758 30.944  9.2117 9.643318       13.00198 
1 1 1 34 14 14 o 47.383  5.3772 26.095   2.9251  46.514  9.7461 48.252  4.5466 -1.737919      10.75447 
1 1 1 34 14 16 o 58.269  4.8910 38.981   3.5717  58.987  8.5149 57.550  4.8152 1.437481       9.782091 
1 1 1 34 14 18 o 26.119  6.1666 8.5434   3.2150  20.599  9.4966 31.640  7.8691 -11.04190      12.33320 
1 1 1 34 14 20 o 17.852  5.7896 0.9089   2.8580  21.535  9.5465 14.170  6.5531 7.365093       11.57925 
1 1 1 34 15 1  o 103.251 4.3061 116.334  5.0660  98.992  7.8732 107.510 3.4905 -8.518219      8.612259 
1 1 1 34 15 3  o 66.009  3.6289 46.304   3.3751  64.114  5.4028 67.905  4.8461 -3.790474      7.257730 
1 1 1 34 15 5  o 68.813  3.2950 49.909   3.1914  68.047  4.4118 69.579  4.8954 -1.531990      6.590054 
1 1 1 34 15 7  o 44.113  5.5711 23.256   3.3751  46.772  7.0357 41.454  8.6400 5.318333       11.14229 
1 1 1 34 15 9  f 31.367  6.2377 12.680   2.8855  32.679  8.8091 30.056  8.8337 2.622976       12.47538 
1 1 1 34 15 11 o 21.422  6.0493 4.2994   2.6896  21.427  9.3717 21.417  7.6517 0.1042938E-01  12.09864 
1 1 1 34 15 13 o 20.196  6.0425 2.9544   2.9534  19.967  9.0654 20.425  7.9917 -0.4583855     12.08500 
1 1 1 34 15 15 o 35.693  6.5291 17.811   3.4141  30.502  11.161 40.884  6.7780 -10.38253      13.05816 
1 1 1 34 15 17 o 48.802  6.1959 31.543   3.4246  43.295  11.431 54.309  4.7837 -11.01400      12.39175 
1 1 1 34 15 19 o 15.828  5.4447 -4.6504  3.3876  17.951  8.6656 13.704  6.5945 4.246712       10.88948 
1 1 1 34 16 0  o 81.201  4.1466 68.124   6.6969  81.201  4.1466 ?       ?      0.000000       0.000000 
1 1 1 34 16 2  o 79.584  4.2795 70.175   4.4703  78.095  7.2447 81.074  4.5574 -2.978706      8.558987 
1 1 1 34 16 4  f 41.329  5.4395 20.855   3.0241  34.523  9.0769 48.136  5.9968 -13.61362      10.87895 
1 1 1 34 16 6  o 43.197  5.3182 22.077   3.1658  43.211  6.9475 43.183  8.0539 0.2840424E-01  10.63642 
1 1 1 34 16 8  o 22.321  6.5986 3.7313   3.6028  21.083  9.7252 23.560  8.9210 -2.477295      13.19711 
1 1 1 34 16 10 o 17.908  5.8451 -1.4658  3.3084  19.859  9.0471 15.958  7.4034 3.901523       11.69022 
1 1 1 34 16 12 o 27.842  5.8139 10.089   2.8100  20.884  8.7379 34.800  7.6718 -13.91576      11.62787 
1 1 1 34 16 14 o 74.792  3.3431 58.708   3.2330  78.794  5.6418 70.790  3.5884 8.003998       6.686299 
1 1 1 34 16 16 o 84.440  3.2844 77.826   3.6567  84.821  5.5131 84.059  3.5714 0.7625504      6.568841 
1 1 1 34 16 18 o 71.036  3.6866 55.327   3.4025  73.167  6.2335 68.905  3.9379 4.261665       7.373155 
1 1 1 34 17 1  o 30.227  6.8976 12.115   3.5484  35.844  9.8486 24.611  9.6598 11.23243       13.79517 
1 1 1 34 17 3  o 22.232  6.8378 3.0945   4.0182  22.028  10.077 22.436  9.2456 -0.4086819     13.67558 
1 1 1 34 17 5  o 22.802  6.2752 5.5777   2.8512  25.789  9.6451 19.816  8.0302 5.972458       12.55039 
1 1 1 34 17 7  o 21.241  6.3763 1.7944   3.5561  26.518  10.249 15.965  7.5892 10.55322       12.75269 
1 1 1 34 17 9  o 17.781  5.7244 0.2939   2.7554  19.727  9.1549 15.835  6.8749 3.891755       11.44888 
1 1 1 34 17 11 o 45.676  5.6559 26.030   3.0463  42.034  10.243 49.318  4.7996 -7.283749      11.31187 
1 1 1 34 17 13 o 53.826  4.7834 33.506   3.4399  55.865  7.8540 51.787  5.4625 4.077946       9.566887 
1 1 1 34 17 15 o 37.985  6.6127 21.216   3.3969  36.023  11.094 39.947  7.1999 -3.924675      13.22539 
1 1 1 34 18 0  o 20.971  10.913 7.9671   5.8887  20.971  10.913 ?       ?      0.000000       0.000000 
1 1 1 34 18 2  o 29.361  6.8071 11.953   3.3475  33.070  9.6849 25.653  9.5680 7.417288       13.61417 
1 1 1 34 18 4  o 21.053  6.7793 0.8206   4.3849  21.078  10.156 21.027  8.9826 0.5067635E-01  13.55865 
1 1 1 34 18 6  o 20.808  6.4634 3.2578   3.3402  23.095  10.223 18.521  7.9120 4.574213       12.92689 
1 1 1 34 18 8  o 19.030  6.0756 0.3091   3.5459  18.147  8.5120 19.913  8.6716 -1.766258      12.15113 
1 1 1 34 18 10 o 20.221  6.1128 2.7534   3.1975  19.143  8.9172 21.298  8.3637 -2.154455      12.22568 
1 1 1 34 18 12 o 32.091  6.7082 14.854   3.3437  41.479  10.215 22.703  8.6984 18.77597       13.41643 
1 1 1 34 18 14 o 46.106  6.3438 28.316   3.5375  44.843  11.321 47.370  5.7282 -2.527122      12.68767 
1 1 1 34 19 1  o 28.129  7.0751 11.491   3.5503  28.459  9.9808 27.800  10.031 0.6596355      14.15029 
1 1 1 34 19 3  o 22.584  6.5904 5.5667   3.2630  23.171  10.193 21.996  8.3570 1.174948       13.18088 
1 1 1 34 19 5  o 27.067  8.2265 9.1154   3.8047  34.950  14.411 19.185  7.9385 15.76546       16.45304 
1 1 1 34 19 7  o 22.902  6.2448 6.1758   3.0895  20.189  9.0633 25.616  8.5935 -5.427193      12.48967 
1 1 1 34 19 9  o 16.506  5.6014 -4.5960  3.7693  16.634  8.1958 16.379  7.6376 0.2554932      11.20287 
1 1 1 34 19 11 o 17.638  5.9321 -1.4103  3.5115  20.791  9.6420 14.485  6.9131 6.306178       11.86417 
1 1 1 34 20 0  o 17.166  10.405 5.3114   6.4660  17.166  10.405 ?       ?      0.000000       0.000000 
1 1 1 34 20 2  o 34.919  6.5096 17.993   3.2878  31.014  10.709 38.825  7.4033 -7.811169      13.01924 
1 1 1 34 20 4  o 19.533  5.7956 3.2561   2.9097  17.549  8.2247 21.516  8.1677 -3.967079      11.59127 
1 1 1 34 20 6  o 21.649  6.9593 5.2836   3.6776  25.662  11.577 17.637  7.7260 8.025591       13.91859 
1 1 1 34 20 8  o 21.598  6.5723 4.3059   3.8673  19.866  9.4902 23.331  9.0949 -3.464657      13.14459 
1 1 1 34 21 1  o 35.646  6.9113 19.963   3.8195  29.226  11.384 42.066  7.8404 -12.84031      13.82253 
1 1 1 34 21 3  f 15.402  5.2061 -4.3785  3.1449  15.714  7.6746 15.089  7.0367 0.6253586      10.41225 
1 1 1 35 1  0  o 13.702  8.6239 1.3856   4.8495  13.702  8.6239 ?       ?      0.000000       0.000000 
1 1 1 35 1  2  o 38.849  6.3710 17.614   3.6958  48.843  6.7374 28.855  10.815 19.98789       12.74190 
1 1 1 35 1  4  o 23.705  6.2541 4.5167   2.9342  19.457  8.2362 27.953  9.4138 -8.496157      12.50816 
1 1 1 35 1  6  o 39.088  5.5749 17.070   2.9707  37.276  8.4085 40.901  7.3224 -3.624962      11.14989 
1 1 1 35 1  8  o 25.072  6.0127 6.5971   2.5688  23.285  8.5313 26.860  8.4752 -3.574652      12.02549 
1 1 1 35 1  10 o 30.407  6.8408 9.6855   3.6264  35.327  7.7297 25.486  11.289 9.841339       13.68155 
1 1 1 35 1  12 o 74.210  3.6209 58.584   3.5839  79.023  3.9451 69.397  6.0730 9.625679       7.241871 
1 1 1 35 1  14 o 25.942  6.4179 5.9244   3.4658  31.864  9.0164 20.020  9.1357 11.84418       12.83574 
1 1 1 35 1  16 o 30.785  7.2044 11.463   3.4748  28.639  8.9257 32.932  11.311 -4.292654      14.40878 
1 1 1 35 1  18 o 23.626  6.9420 5.2847   3.4320  19.221  8.0960 28.030  11.279 -8.808477      13.88400 
1 1 1 35 1  20 f 16.587  5.6129 -4.4033  3.1234  12.618  6.1218 20.556  9.4097 -7.938485      11.22584 
1 1 1 35 1  22 o 22.646  6.9002 4.2486   3.6662  16.837  7.6789 28.454  11.467 -11.61657      13.80049 
1 1 1 35 1  24 o 18.274  5.9765 0.4484   3.3476  16.869  7.4919 19.679  9.3136 -2.810898      11.95292 
1 1 1 35 2  1  o 27.466  6.6026 7.9552   3.0819  28.508  9.1378 26.425  9.5331 2.083738       13.20523 
1 1 1 35 2  3  o 16.170  5.1775 -2.1623  2.5192  17.196  7.7241 15.145  6.8966 2.050458       10.35498 
1 1 1 35 2  5  o 57.810  3.9312 34.836   3.2039  55.542  5.8208 60.078  5.2853 -4.535778      7.862348 
1 1 1 35 2  7  o 95.951  2.5999 93.841   3.5179  94.570  3.8460 97.332  3.4996 -2.761574      5.199855 
1 1 1 35 2  9  o 122.049 2.0920 150.187  3.5803  119.337 2.7575 124.761 3.1467 -5.423859      4.183947 
1 1 1 35 2  11 o 20.516  5.8778 2.7762   2.6544  20.611  8.2713 20.421  8.3534 0.1894875      11.75559 
1 1 1 35 2  13 o 20.772  5.9250 3.1238   2.6768  20.573  8.2094 20.970  8.5455 -0.3967991     11.84991 
1 1 1 35 2  15 o 26.287  6.8225 7.4165   3.3666  27.673  8.9655 24.901  10.286 2.772190       13.64500 
1 1 1 35 2  17 o 21.850  6.5824 2.9529   3.3362  17.971  7.8839 25.729  10.543 -7.758732      13.16484 
1 1 1 35 2  19 o 40.615  6.7272 21.285   3.6190  42.391  6.8095 38.838  11.604 3.553219       13.45446 
1 1 1 35 2  21 o 26.381  6.7029 9.0857   3.4753  30.533  9.3408 22.230  9.6160 8.302979       13.40587 
1 1 1 35 2  23 o 27.497  7.3365 10.815   3.6641  24.812  9.0831 30.183  11.524 -5.371504      14.67294 
1 1 1 35 2  25 o 20.529  6.3317 3.9043   3.3476  20.283  8.1627 20.774  9.6815 -0.4915104     12.66336 
1 1 1 35 3  0  o 30.338  10.081 12.239   5.4268  30.338  10.081 ?       ?      0.000000       0.000000 
1 1 1 35 3  2  o 56.537  3.6278 33.081   2.8866  59.754  4.8308 53.321  5.4137 6.433144       7.255668 
1 1 1 35 3  4  o 56.184  3.5231 32.481   2.7854  54.620  4.7564 57.748  5.1986 -3.128227      7.046205 
1 1 1 35 3  6  o 20.038  6.0222 0.7287   3.0555  18.375  8.2603 21.702  8.7656 -3.327808      12.04444 
1 1 1 35 3  8  o 41.152  5.6601 19.514   3.1250  33.130  9.6793 49.174  5.8701 -16.04478      11.32024 
1 1 1 35 3  10 o 20.774  5.9240 2.9052   2.6768  20.781  8.2355 20.767  8.5178 0.1430702E-01  11.84802 
1 1 1 35 3  12 o 35.238  5.7655 14.189   2.9976  43.694  7.1350 26.782  9.0584 16.91238       11.53093 
1 1 1 35 3  14 o 37.430  5.8982 16.511   3.0587  41.487  7.5122 33.373  9.0952 8.114441       11.79639 
1 1 1 35 3  16 o 23.604  6.5870 4.7559   3.3325  27.468  10.019 19.739  8.5543 7.729027       13.17392 
1 1 1 35 3  18 o 31.701  6.6608 13.307   3.2289  34.589  9.4258 28.813  9.4138 5.775648       13.32158 
1 1 1 35 3  20 o 16.622  5.6285 -3.7199  3.1166  13.516  6.4306 19.727  9.2393 -6.211258      11.25691 
1 1 1 35 3  22 o 20.571  6.5168 2.3583   3.5864  17.595  7.8940 23.546  10.371 -5.951084      13.03362 
1 1 1 35 3  24 o 19.810  6.2700 2.9321   3.5864  19.758  8.3871 19.862  9.3223 -0.1040115     12.53991 
1 1 1 35 4  1  o 51.233  4.0450 27.434   2.9083  49.775  6.1472 52.691  5.2593 -2.915638      8.090016 
1 1 1 35 4  3  o 47.622  4.6268 23.901   3.1079  49.654  6.6274 45.591  6.4582 4.062687       9.253677 
1 1 1 35 4  5  o 108.885 2.1181 119.926  3.2596  110.573 3.0283 107.197 2.9621 3.376343       4.236101 
1 1 1 35 4  7  o 59.763  3.6184 36.853   3.0500  61.915  5.2217 57.610  5.0106 4.305359       7.236856 
1 1 1 35 4  9  o 20.413  5.8267 2.7198   2.5967  20.568  8.2088 20.258  8.2715 0.3107033      11.65346 
1 1 1 35 4  11 o 55.250  3.7827 32.086   2.9432  57.340  5.0342 53.160  5.6472 4.179634       7.565327 
1 1 1 35 4  13 o 19.273  5.7994 0.1992   2.9432  22.390  8.8087 16.155  7.5458 6.234838       11.59879 
1 1 1 35 4  15 o 16.259  5.3456 -4.8452  3.0863  18.193  8.1089 14.325  6.9675 3.867538       10.69120 
1 1 1 35 4  17 o 23.419  6.5568 5.8887   3.2330  24.079  9.3565 22.759  9.1883 1.319874       13.11369 
1 1 1 35 4  19 o 15.372  5.1313 -4.4454  2.9443  14.299  6.8961 16.445  7.6003 -2.146457      10.26257 
1 1 1 35 4  21 o 24.035  6.2727 7.3897   2.8577  25.309  8.5936 22.760  9.1400 2.548899       12.54548 
1 1 1 35 4  23 o 27.466  6.8601 11.065   3.3771  24.955  9.5615 29.977  9.8399 -5.022209      13.72030 
1 1 1 35 4  25 o 17.865  5.8472 -4.7424  3.9657  21.267  9.1906 14.463  7.2314 6.804644       11.69448 
1 1 1 35 5  0  o 16.070  10.087 2.3093   6.5815  16.070  10.087 ?       ?      0.000000       0.000000 
1 1 1 35 5  2  o 16.229  5.2860 -3.7938  2.8242  18.067  8.0423 14.392  6.8620 3.675045       10.57190 
1 1 1 35 5  4  f 69.316  3.1459 49.584   3.0587  73.473  4.0860 65.159  4.7846 8.314041       6.291836 
1 1 1 35 5  6  f 21.708  5.9694 3.4541   2.7122  23.944  8.6399 19.473  8.2393 4.471031       11.93876 
1 1 1 35 5  8  o 18.504  5.6781 -1.2216  2.8681  22.443  9.0383 14.565  6.8755 7.877302       11.35619 
1 1 1 35 5  10 o 28.939  6.0265 9.6469   2.6818  31.676  8.1548 26.202  8.8754 5.474344       12.05293 
1 1 1 35 5  12 o 33.902  6.2846 13.651   3.0500  33.083  9.3553 34.720  8.3943 -1.637402      12.56922 
1 1 1 35 5  14 o 37.803  5.8286 16.682   3.0241  39.204  8.3480 36.402  8.1363 2.801815       11.65715 
1 1 1 35 5  16 o 46.440  5.3379 25.450   3.2745  40.496  8.9359 52.383  5.8412 -11.88676      10.67570 
1 1 1 35 5  18 o 30.449  6.0855 11.291   3.0908  40.248  8.7093 20.651  8.5020 19.59695       12.17109 
1 1 1 35 5  20 o 31.776  6.3075 13.529   2.9976  34.698  8.3977 28.855  9.4138 5.843046       12.61506 
1 1 1 35 5  22 o 25.058  6.2499 8.0754   2.7640  21.402  8.2234 28.713  9.4138 -7.311338      12.49970 
1 1 1 35 5  24 o 13.629  4.7317 -8.1832  3.1461  14.105  6.8706 13.154  6.5077 0.9511404      9.463368 
1 1 1 35 6  1  o 58.512  3.3546 35.193   2.7519  59.204  5.0707 57.819  4.3934 1.385033       6.709244 
1 1 1 35 6  3  o 29.997  6.1347 10.136   2.7997  33.304  8.4716 26.690  8.8754 6.614016       12.26947 
1 1 1 35 6  5  o 31.805  6.3415 11.590   3.0241  28.942  9.5005 34.668  8.4022 -5.726522      12.68293 
1 1 1 35 6  7  o 49.013  3.9526 25.417   2.6594  51.814  4.6797 46.213  6.3713 5.601295       7.905291 
1 1 1 35 6  9  o 52.016  3.7743 28.336   2.7603  52.004  4.9957 52.029  5.6591 -0.2428818E-01 7.548645 
1 1 1 35 6  11 o 16.567  5.4384 -3.8829  3.0087  18.605  8.3840 14.529  6.9292 4.075595       10.87684 
1 1 1 35 6  13 o 28.862  6.3926 9.7973   2.8923  31.598  9.3793 26.127  8.6885 5.471022       12.78521 
1 1 1 35 6  15 o 56.702  4.2882 34.943   3.4154  57.490  6.4269 55.914  5.6789 1.576279       8.576429 
1 1 1 35 6  17 o 37.479  6.1985 17.870   3.2320  35.703  8.9119 39.254  8.6177 -3.551231      12.39701 
1 1 1 35 6  19 o 21.862  6.6120 3.8891   3.6335  22.868  9.6274 20.856  9.0658 2.011631       13.22408 
1 1 1 35 6  21 o 19.383  5.9976 1.7559   3.2039  17.569  8.0570 21.196  8.8866 -3.626429      11.99523 
1 1 1 35 6  23 o 26.921  6.1366 9.8320   3.2320  18.034  8.1753 35.808  9.1540 -17.77411      12.27314 
1 1 1 35 7  0  o 13.039  8.6912 -0.8083  5.8887  13.039  8.6912 ?       ?      0.000000       0.000000 
1 1 1 35 7  2  o 45.575  4.0130 21.896   2.5192  48.028  4.8082 43.121  6.4265 4.907246       8.026090 
1 1 1 35 7  4  o 33.823  5.5198 12.778   2.5864  30.714  7.8614 36.932  7.7506 -6.218529      11.03957 
1 1 1 35 7  6  o 34.519  5.4575 13.386   2.5864  33.344  7.4599 35.693  7.9678 -2.348160      10.91499 
1 1 1 35 7  8  o 18.925  5.4983 1.5825   2.4506  20.911  8.0312 16.940  7.5117 3.970961       10.99667 
1 1 1 35 7  10 o 28.917  6.1251 9.7776   2.7122  30.295  8.4507 27.539  8.8687 2.756054       12.25026 
1 1 1 35 7  12 o 27.706  6.0089 8.8560   2.6842  23.366  8.6191 32.047  8.3747 -8.680454      12.01770 
1 1 1 35 7  14 f 23.520  6.2112 5.3537   2.9083  19.300  8.2059 27.740  9.3262 -8.439842      12.42235 
1 1 1 35 7  16 o 61.078  3.9089 40.736   3.3653  62.622  5.7159 59.533  5.3336 3.088722       7.817849 
1 1 1 35 7  18 f 57.980  4.3657 38.064   3.4735  53.255  7.0464 62.704  5.1560 -9.448612      8.731361 
1 1 1 35 7  20 f 30.645  6.4211 12.936   3.4023  22.670  9.4224 38.620  8.7257 -15.95057      12.84211 
1 1 1 35 7  22 o 18.586  5.8771 0.4707   3.3574  20.863  8.7788 16.310  7.8163 4.552830       11.75425 
1 1 1 35 8  1  o 94.796  2.4778 91.369   3.3073  95.880  3.6730 93.713  3.3267 2.166557       4.955586 
1 1 1 35 8  3  o 77.147  2.8746 60.978   3.0791  77.099  3.5943 77.195  4.4873 -0.9520721E-01 5.749290 
1 1 1 35 8  5  o 60.249  3.7742 37.978   3.1831  60.379  4.8765 60.119  5.7618 0.2598572      7.548406 
1 1 1 35 8  7  o 21.395  6.1327 2.6337   3.0241  18.890  8.3846 23.901  8.9520 -5.010971      12.26545 
1 1 1 35 8  9  o 29.484  6.2833 10.008   2.9662  35.002  8.8873 23.966  8.8847 11.03611       12.56667 
1 1 1 35 8  11 o 67.380  3.2455 47.195   3.0668  66.334  4.2646 68.426  4.8936 -2.092239      6.491064 
1 1 1 35 8  13 o 25.004  6.3347 6.5109   2.9393  30.224  9.6576 19.784  8.2002 10.43930       12.66933 
1 1 1 35 8  15 f 42.736  5.4471 21.947   3.1742  47.463  6.5684 38.008  8.6913 9.455112       10.89415 
1 1 1 35 8  17 f 59.967  3.8076 38.939   3.2072  62.999  5.5900 56.935  5.1714 6.063988       7.615201 
1 1 1 35 8  19 o 65.105  3.8727 47.452   3.5132  61.205  6.0369 69.005  4.8525 -7.800255      7.745327 
1 1 1 35 8  21 o 39.014  6.3725 21.191   3.6289  30.942  10.407 47.085  7.3567 -16.14312      12.74493 
1 1 1 35 8  23 o 17.793  5.6661 -1.2196  3.2320  21.726  9.0740 13.860  6.7883 7.865509       11.33217 
1 1 1 35 9  0  o 18.086  10.126 5.0804   5.4268  18.086  10.126 ?       ?      0.000000       0.000000 
1 1 1 35 9  2  f 66.753  3.5686 46.742   3.2772  64.667  5.7137 68.839  4.2772 -4.171799      7.137242 
1 1 1 35 9  4  o 54.125  3.6634 30.675   2.7973  53.461  5.3995 54.789  4.9525 -1.328125      7.326724 
1 1 1 35 9  6  o 21.162  6.2181 2.0763   3.1742  18.768  8.3889 23.556  9.1808 -4.787971      12.43622 
1 1 1 35 9  8  o 27.385  6.6544 8.6577   3.1165  27.543  9.4946 27.226  9.3262 0.3160629      13.30884 
1 1 1 35 9  10 o 56.908  3.9263 34.408   3.1250  56.617  6.0163 57.200  5.0466 -0.5828590     7.852592 
1 1 1 35 9  12 o 18.158  5.6683 0.0525   2.8575  18.623  8.1511 17.692  7.8791 0.9309177      11.33670 
1 1 1 35 9  14 o 25.758  6.5207 8.1132   3.1461  22.112  9.0393 29.404  9.4005 -7.291553      13.04140 
1 1 1 35 9  16 o 16.175  5.3537 -3.7430  3.1079  15.492  7.4268 16.857  7.7130 -1.365626      10.70741 
1 1 1 35 9  18 o 51.916  4.2865 30.646   3.1461  50.924  6.1219 52.907  6.0016 -1.982342      8.573065 
1 1 1 35 9  20 o 76.289  3.3191 63.087   3.5710  76.960  4.8761 75.619  4.5044 1.340614       6.638208 
1 1 1 35 9  22 o 38.041  6.2586 20.473   3.2892  35.526  9.8831 40.556  7.6814 -5.029659      12.51718 
1 1 1 35 10 1  o 24.879  5.9218 5.3291   2.9843  18.043  8.2011 31.714  8.5447 -13.67133      11.84359 
1 1 1 35 10 3  o 34.853  6.0645 14.241   2.9707  34.111  8.4865 35.594  8.6655 -1.482914      12.12898 
1 1 1 35 10 5  o 18.562  5.8856 -1.2493  3.1914  20.097  8.8248 17.028  7.7899 3.068773       11.77111 
1 1 1 35 10 7  o 40.292  5.3499 19.592   2.8762  51.572  5.2614 29.012  9.3168 22.56058       10.69979 
1 1 1 35 10 9  o 18.277  5.7642 -2.2673  3.1711  21.804  9.0882 14.750  7.0929 7.054164       11.52842 
1 1 1 35 10 11 o 16.458  5.3480 -4.3288  3.0010  13.104  6.4550 19.811  8.5285 -6.706944      10.69591 
1 1 1 35 10 13 o 19.391  5.8569 1.9503   2.9083  20.771  8.4600 18.010  8.1019 2.760763       11.71383 
1 1 1 35 10 15 o 20.478  5.9370 3.2458   2.8505  22.509  8.6122 18.446  8.1745 4.063601       11.87405 
1 1 1 35 10 17 o 18.568  5.7961 0.9597   3.0555  20.056  8.4899 17.079  7.8931 2.976927       11.59216 
1 1 1 35 10 19 o 48.231  4.9088 27.453   3.3395  45.815  6.9306 50.646  6.9535 -4.830978      9.817550 
1 1 1 35 10 21 o 53.048  3.7647 31.756   2.7865  49.994  4.9656 56.102  5.6599 -6.107800      7.529356 
1 1 1 35 11 0  o 62.028  5.5765 40.528   6.8124  62.028  5.5765 ?       ?      0.000000       0.000000 
1 1 1 35 11 2  o 84.924  2.7886 74.297   3.3475  82.861  3.9714 86.987  3.9158 -4.125710      5.577204 
1 1 1 35 11 4  f 45.324  4.8201 22.394   3.0755  46.132  7.1333 44.515  6.4846 1.616650       9.640228 
1 1 1 35 11 6  o 58.406  4.2883 36.942   3.4926  53.083  6.6343 63.730  5.4354 -10.64714      8.576556 
1 1 1 35 11 8  o 61.007  3.8984 39.806   3.3475  56.962  5.7771 65.053  5.2360 -8.091106      7.796858 
1 1 1 35 11 10 o 45.044  5.0702 23.362   3.1079  38.924  7.8395 51.163  6.4319 -12.23877      10.14037 
1 1 1 35 11 12 o 62.547  3.7994 42.895   3.3194  67.856  4.8496 57.238  5.8500 10.61785       7.598773 
1 1 1 35 11 14 o 26.300  6.5164 8.4456   3.2039  31.232  9.5037 21.367  8.9181 9.865343       13.03274 
1 1 1 35 11 16 o 17.729  5.6172 0.4058   2.9152  17.787  7.9391 17.672  7.9487 0.1155643      11.23439 
1 1 1 35 11 18 o 20.133  6.1664 2.9588   3.2237  19.269  8.4132 20.997  9.0176 -1.728395      12.33281 
1 1 1 35 11 20 o 20.901  6.0997 3.2755   3.2816  14.999  7.2000 26.802  9.8480 -11.80266      12.19932 
1 1 1 35 12 1  o 77.892  3.2981 62.964   3.6041  74.187  4.4358 81.598  4.8819 -7.411545      6.596112 
1 1 1 35 12 3  o 54.786  4.0411 32.545   2.9691  58.135  4.4688 51.437  6.7343 6.698151       8.082170 
1 1 1 35 12 5  o 45.537  5.3823 24.332   3.2289  53.950  5.7786 37.123  9.0821 16.82753       10.76462 
1 1 1 35 12 7  o 28.091  6.9404 9.8641   3.4868  30.906  9.7267 25.276  9.9030 5.629723       13.88079 
1 1 1 35 12 9  o 18.996  5.8307 1.5296   2.9083  18.860  8.3186 19.132  8.1723 -0.2725811     11.66132 
1 1 1 35 12 11 o 44.911  4.9279 23.590   2.9595  40.766  8.0763 49.056  5.6490 -8.289974      9.855867 
1 1 1 35 12 13 o 26.762  6.5564 9.3262   3.0087  27.816  9.6583 25.708  8.8691 2.108187       13.11273 
1 1 1 35 12 15 o 18.145  5.6404 1.1546   2.8289  19.437  8.2783 16.853  7.6634 2.583832       11.28088 
1 1 1 35 12 17 o 17.270  5.5231 -2.3670  3.1175  13.655  6.6990 20.885  8.7830 -7.230287      11.04619 
1 1 1 35 12 19 f 26.635  6.9498 11.381   3.4024  27.721  10.429 25.549  9.1894 2.171907       13.89957 
1 1 1 35 13 0  o 70.191  9.3930 57.040   12.817  70.191  9.3930 ?       ?      0.000000       0.000000 
1 1 1 35 13 2  o 19.473  6.0354 0.7926   3.2039  18.171  8.2095 20.775  8.8491 -2.603998      12.07072 
1 1 1 35 13 4  o 23.795  6.6798 5.8101   3.4290  21.912  9.3215 25.679  9.5700 -3.766966      13.35950 
1 1 1 35 13 6  o 34.785  6.2872 15.598   3.1440  31.360  9.4959 38.209  8.2428 -6.849016      12.57445 
1 1 1 35 13 8  o 30.729  6.5465 12.505   3.1398  27.962  9.6631 33.496  8.8346 -5.534037      13.09300 
1 1 1 35 13 10 o 20.915  6.2616 3.2902   3.2039  21.009  8.8949 20.822  8.8153 0.1877785      12.52314 
1 1 1 35 13 12 o 20.130  6.1216 2.5801   3.1711  21.920  9.1094 18.340  8.1801 3.580379       12.24319 
1 1 1 35 13 14 o 21.838  6.1419 5.1022   2.9083  18.744  8.0932 24.932  9.2407 -6.188257      12.28379 
1 1 1 35 13 16 o 22.979  6.5698 6.3131   3.3771  25.032  9.5702 20.927  9.0034 4.105934       13.13960 
1 1 1 35 13 18 o 19.243  6.2704 0.9432   4.0331  18.505  8.8538 19.981  8.8816 -1.475784      12.54080 
1 1 1 35 14 1  o 70.988  5.2626 56.554   4.4900  72.925  9.3416 69.051  4.8493 3.874603       10.52528 
1 1 1 35 14 3  o 63.027  3.6185 43.192   3.1375  60.744  5.7976 65.311  4.3314 -4.567368      7.236936 
1 1 1 35 14 5  o 60.404  4.1491 40.018   3.5109  64.163  6.1185 56.644  5.6057 7.518711       8.298147 
1 1 1 35 14 7  o 30.565  6.8964 12.606   3.3751  29.484  9.9230 31.646  9.5799 -2.162336      13.79274 
1 1 1 35 14 9  o 26.757  6.8690 9.3213   3.3974  23.729  9.3265 29.785  10.087 -6.056076      13.73792 
1 1 1 35 14 11 o 24.243  6.4952 7.1682   3.2018  28.161  9.6698 20.324  8.6744 7.836815       12.99034 
1 1 1 35 14 13 o 48.527  4.9626 27.872   3.3974  47.558  6.7981 49.496  7.2316 -1.938847      9.925243 
1 1 1 35 14 15 o 24.998  5.9706 6.8167   3.1133  33.911  9.2711 16.085  7.5257 17.82525       11.94112 
1 1 1 35 14 17 o 33.354  6.3248 15.478   2.8086  33.122  10.794 33.586  6.5952 -0.4638367     12.64967 
1 1 1 35 15 0  o 23.562  11.597 9.8145   6.4660  23.562  11.597 ?       ?      0.000000       0.000000 
1 1 1 35 15 2  o 46.850  7.4950 29.944   4.0076  41.539  13.975 52.162  5.4232 -10.62386      14.99003 
1 1 1 35 15 4  o 25.590  6.5634 7.6917   3.3574  21.104  9.1938 30.076  9.3693 -8.972416      13.12671 
1 1 1 35 15 6  o 36.248  6.7470 17.756   3.5503  40.018  9.1410 32.478  9.9261 7.540291       13.49390 
1 1 1 35 15 8  o 27.013  6.8002 10.076   3.2897  28.707  9.7562 25.318  9.4757 3.388834       13.60047 
1 1 1 35 15 10 o 39.676  6.3955 20.987   3.5065  42.648  9.0707 36.703  9.0184 5.945049       12.79099 
1 1 1 35 15 12 o 22.437  6.2517 5.0430   3.2018  26.722  9.3889 18.153  8.2574 8.568119       12.50345 
1 1 1 35 15 14 o 39.818  5.6846 20.878   3.0491  38.830  9.3222 40.806  6.5081 -1.976242      11.36918 
1 1 1 35 15 16 o 71.953  3.9638 58.201   3.5570  71.521  6.9420 72.385  3.8283 -0.8644485     7.927644 
1 1 1 35 16 1  o 35.484  6.7023 17.212   3.4348  36.724  9.2688 34.243  9.6837 2.480408       13.40467 
1 1 1 35 16 3  o 21.236  7.0689 0.1970   4.2545  26.926  12.053 15.547  7.3887 11.37928       14.13777 
1 1 1 35 16 5  o 17.582  5.6738 -1.7968  3.2867  15.237  7.3634 19.926  8.6342 -4.689125      11.34766 
1 1 1 35 16 7  o 24.338  6.7330 7.6295   3.3574  26.434  10.013 22.241  9.0047 4.193203       13.46607 
1 1 1 35 16 9  o 34.627  7.0908 17.141   3.6624  38.226  10.327 31.028  9.7190 7.197796       14.18152 
1 1 1 35 16 11 o 28.476  7.0567 12.483   3.7395  24.824  10.391 32.128  9.5507 -7.303247      14.11345 
1 1 1 35 16 13 o 24.938  6.5519 9.2847   3.1709  23.123  10.086 26.753  8.3661 -3.629341      13.10386 
1 1 1 35 17 0  o 15.031  9.6761 2.4248   6.4660  15.031  9.6761 ?       ?      0.000000       0.000000 
1 1 1 35 17 2  o 18.202  5.7389 -2.4032  3.3974  22.256  9.1134 14.147  6.9775 8.108438       11.47779 
1 1 1 35 17 4  o 19.936  6.4201 0.4086   4.0211  19.662  9.2680 20.210  8.8868 -0.5478153     12.84018 
1 1 1 35 17 6  o 42.114  5.7577 22.563   3.2993  45.720  6.6925 38.508  9.3709 7.211826       11.51534 
1 1 1 35 17 8  o 38.367  6.5653 20.676   3.5390  42.445  9.1040 34.289  9.4621 8.155640       13.13064 
1 1 1 35 17 10 o 23.284  6.7466 7.4179   3.4039  27.862  10.770 18.706  8.1283 9.155266       13.49316 
1 1 1 35 17 12 o 23.918  6.7363 7.9816   3.2311  25.905  10.520 21.931  8.4166 3.974260       13.47254 
1 1 1 35 18 1  o 20.680  6.3067 3.5546   3.4735  19.050  8.7127 22.310  9.1208 -3.259991      12.61349 
1 1 1 35 18 3  o 16.847  5.5318 -3.9335  3.4485  19.798  8.6460 13.896  6.9030 5.901536       11.06370 
1 1 1 35 18 5  o 17.863  6.2149 -4.5416  4.4646  20.723  10.090 15.003  7.2590 5.719910       12.42972 
1 1 1 35 18 7  o 25.768  6.7775 9.5605   2.7625  28.068  11.404 23.467  7.3271 4.601404       13.55493 
1 1 1 35 18 9  o 23.233  6.9982 4.7570   4.3035  29.814  11.485 16.651  7.9995 13.16296       13.99648 
1 1 1 35 19 0  o 11.580  8.0990 -3.1175  6.5815  11.580  8.0990 ?       ?      0.000000       0.000000 
1 1 1 35 19 2  o 23.653  6.0992 5.9312   3.2897  31.235  9.5035 16.072  7.6474 15.16284       12.19836 
1 1 1 35 19 4  o 21.456  6.7749 4.1965   4.1408  23.866  10.378 19.045  8.7114 4.820631       13.54989 
1 1 1 36 1  1  o 20.622  5.8630 2.7004   2.6768  22.166  8.3758 19.077  8.2063 3.089018       11.72597 
1 1 1 36 1  3  o 24.599  6.2201 5.5038   3.0175  20.041  8.6987 29.156  8.8935 -9.114332      12.44027 
1 1 1 36 1  5  o 34.766  6.6082 14.368   3.3173  34.486  9.2014 35.046  9.4872 -0.5606041     13.21641 
1 1 1 36 1  7  o 19.505  6.0088 0.3199   3.1334  19.011  8.5163 20.000  8.4791 -0.9891319     12.01757 
1 1 1 36 1  9  f 25.744  6.5025 7.2274   3.0424  27.455  8.9674 24.033  9.4189 3.421843       13.00493 
1 1 1 36 1  11 o 54.821  3.5089 31.379   2.5948  54.312  4.0393 55.330  5.7388 -1.017822      7.017802 
1 1 1 36 1  13 o 63.266  4.2219 43.036   3.6247  61.206  4.9992 65.327  6.8048 -4.121250      8.443825 
1 1 1 36 1  15 o 35.274  6.8241 16.430   3.4072  34.543  8.4211 36.004  10.740 -1.461002      13.64811 
1 1 1 36 1  17 o 19.231  6.1006 -0.0730  3.5064  19.778  8.4789 18.684  8.7738 1.094215       12.20129 
1 1 1 36 1  19 o 30.964  6.2134 13.184   3.6306  40.325  7.5803 21.602  9.8470 18.72296       12.42674 
1 1 1 36 1  21 o 19.218  6.1302 0.5839   3.4270  14.784  7.0725 23.653  10.015 -8.868471      12.26049 
1 1 1 36 1  23 o 20.862  6.6243 3.3853   3.8421  18.175  8.2437 23.548  10.371 -5.372356      13.24863 
1 1 1 36 2  0  o 20.064  10.295 6.4660   5.1959  20.064  10.295 ?       ?      0.000000       0.000000 
1 1 1 36 2  2  f 31.933  5.7037 11.863   2.7111  26.047  9.7306 37.819  5.9534 -11.77240      11.40740 
1 1 1 36 2  4  o 44.190  5.0111 21.493   3.0241  46.448  6.2147 41.932  7.8627 4.515507       10.02221 
1 1 1 36 2  6  o 53.017  4.0023 29.523   2.9843  56.761  5.6958 49.273  5.6241 7.487854       8.004550 
1 1 1 36 2  8  f 30.534  6.6359 11.146   3.1334  30.370  9.7457 30.699  9.0088 -0.3296013     13.27172 
1 1 1 36 2  10 o 37.567  5.4162 16.465   2.7854  31.580  9.0423 43.554  5.9649 -11.97478      10.83245 
1 1 1 36 2  12 o 51.127  4.0329 27.892   2.8127  50.695  4.7830 51.558  6.4946 -0.8628426     8.065769 
1 1 1 36 2  14 o 31.395  6.3577 12.642   3.0500  26.329  9.0550 36.460  8.9268 -10.13085      12.71537 
1 1 1 36 2  16 o 29.252  6.9263 11.235   3.5785  23.923  9.6178 34.582  9.9695 -10.65911      13.85256 
1 1 1 36 2  18 o 19.509  6.2541 0.7451   3.6218  17.865  8.1221 21.153  9.5125 -3.288376      12.50823 
1 1 1 36 2  20 o 17.767  5.7751 -2.4302  3.4919  18.773  8.1422 16.762  8.1921 2.010773       11.55019 
1 1 1 36 2  22 o 22.450  6.8262 5.9740   3.2410  16.660  7.3358 28.241  11.514 -11.58050      13.65236 
1 1 1 36 3  1  o 66.104  3.3964 45.350   3.1742  65.015  4.7951 67.194  4.8115 -2.179001      6.792889 
1 1 1 36 3  3  o 27.566  6.1224 8.6476   2.6532  26.687  9.3877 28.444  7.8617 -1.757040      12.24475 
1 1 1 36 3  5  o 54.961  3.4926 31.444   2.7085  57.749  4.8985 52.172  4.9796 5.577194       6.985117 
1 1 1 36 3  7  o 42.096  4.9694 20.635   2.6470  34.251  8.7359 49.942  4.7396 -15.69113      9.938769 
1 1 1 36 3  9  o 34.831  5.3653 14.382   2.9129  22.297  8.9149 47.365  5.9725 -25.06867      10.73061 
1 1 1 36 3  11 o 71.141  3.1333 52.684   3.1334  71.046  4.1443 71.237  4.7005 -0.1906891     6.266569 
1 1 1 36 3  13 o 68.128  3.2377 49.406   3.0863  72.431  4.1447 63.824  4.9750 8.607075       6.475330 
1 1 1 36 3  15 o 68.461  3.7268 50.895   3.6062  69.078  5.3488 67.844  5.1909 1.234329       7.453514 
1 1 1 36 3  17 o 37.868  6.3007 18.630   3.3445  42.417  8.4660 33.319  9.3338 9.097996       12.60133 
1 1 1 36 3  19 o 22.095  6.4960 5.1229   3.3771  23.602  9.4714 20.587  8.8929 3.015003       12.99192 
1 1 1 36 3  21 f 35.114  7.4012 19.834   3.9019  36.131  9.1050 34.097  11.671 2.034534       14.80243 
1 1 1 36 4  0  o 38.114  9.4615 17.782   6.2351  38.114  9.4615 ?       ?      0.000000       0.000000 
1 1 1 36 4  2  o 55.107  3.7054 31.810   2.8866  54.217  5.3242 55.998  5.1549 -1.780979      7.410796 
1 1 1 36 4  4  o 21.717  6.1751 3.5108   2.9152  20.599  8.5442 22.836  8.9176 -2.237289      12.35014 
1 1 1 36 4  6  o 45.391  4.9493 22.440   3.1711  43.251  7.0745 47.531  6.9233 -4.280170      9.898517 
1 1 1 36 4  8  o 50.787  4.3766 27.828   3.0819  57.890  5.5847 43.684  6.7401 14.20604       8.753177 
1 1 1 36 4  10 o 30.291  6.6214 11.122   3.1742  27.660  9.5761 32.923  9.1471 -5.263012      13.24279 
1 1 1 36 4  12 o 23.410  6.4810 5.6578   3.1175  23.183  9.1435 23.638  9.1873 -0.4555016     12.96192 
1 1 1 36 4  14 o 62.535  3.2443 41.529   2.8225  61.879  4.1052 63.191  5.0249 -1.312782      6.488576 
1 1 1 36 4  16 o 68.471  3.4603 50.415   3.3475  67.751  5.0276 69.192  4.7559 -1.441528      6.920644 
1 1 1 36 4  18 o 25.658  6.6658 8.5554   3.3073  21.029  8.8106 30.287  10.005 -9.257751      13.33164 
1 1 1 36 4  20 o 16.810  5.4721 -1.0347  2.9505  15.447  7.1990 18.173  8.2431 -2.725590      10.94416 
1 1 1 36 4  22 o 20.487  6.3142 3.0524   3.5645  24.321  9.9154 16.654  7.8206 7.666964       12.62842 
1 1 1 36 5  1  o 36.392  6.1674 15.687   3.2039  42.243  7.8107 30.541  9.5467 11.70198       12.33478 
1 1 1 36 5  3  o 16.064  5.3039 -4.4287  3.0010  16.351  7.5732 15.778  7.4279 0.5730257      10.60789 
1 1 1 36 5  5  o 41.396  5.5967 19.423   3.2018  37.142  8.5630 45.650  7.2087 -8.507980      11.19333 
1 1 1 36 5  7  o 64.500  3.1037 43.120   2.8183  65.156  4.6075 63.843  4.1597 1.312817       6.207434 
1 1 1 36 5  9  o 67.294  3.2153 47.188   3.0587  68.698  4.5380 65.889  4.5563 2.809227       6.430636 
1 1 1 36 5  11 o 76.189  3.1109 60.677   3.3325  75.337  4.1381 77.042  4.6461 -1.704369      6.221738 
1 1 1 36 5  13 o 23.631  6.3861 5.7480   3.1742  19.213  8.4396 28.050  9.5865 -8.837070      12.77213 
1 1 1 36 5  15 o 79.200  3.0975 66.493   3.4630  77.482  4.5451 80.918  4.2095 -3.435669      6.194986 
1 1 1 36 5  17 o 50.920  4.2590 29.399   2.9310  52.371  4.8505 49.469  7.0022 2.901352       8.518087 
1 1 1 36 5  19 o 19.539  5.9975 0.1007   3.3751  24.276  9.6181 14.802  7.1674 9.474503       11.99496 
1 1 1 36 5  21 o 18.470  5.7977 1.3499   3.1742  15.757  7.5056 21.182  8.8385 -5.425113      11.59540 
1 1 1 36 6  0  o 22.247  11.308 8.1980   6.2351  22.247  11.308 ?       ?      0.000000       0.000000 
1 1 1 36 6  2  o 18.286  5.7454 -1.5337  3.0500  15.368  7.2290 21.204  8.9320 -5.836139      11.49080 
1 1 1 36 6  4  o 33.463  6.0559 13.221   2.8866  35.128  8.3325 31.798  8.7901 3.330225       12.11181 
1 1 1 36 6  6  o 62.581  3.7302 41.309   3.2867  67.027  5.0819 58.134  5.4620 8.892395       7.460458 
1 1 1 36 6  8  o 59.839  3.8549 38.402   3.1914  64.017  4.6895 55.660  6.1196 8.356796       7.709799 
1 1 1 36 6  10 o 73.428  2.9209 56.491   3.0010  78.595  3.7462 68.261  4.4825 10.33436       5.841827 
1 1 1 36 6  12 o 65.078  3.4471 45.620   3.1440  68.753  4.4504 61.402  5.2653 7.351215       6.894196 
1 1 1 36 6  14 o 20.697  6.0619 3.3089   2.9398  18.315  8.0424 23.078  9.0723 -4.762554      12.12378 
1 1 1 36 6  16 o 24.441  6.5200 7.1909   3.2772  21.392  9.2923 27.490  9.1485 -6.097555      13.04002 
1 1 1 36 6  18 o 17.972  5.6579 0.2590   2.9729  15.839  7.4193 20.104  8.5441 -4.264212      11.31578 
1 1 1 36 6  20 o 16.158  5.2837 -2.4925  3.0010  18.882  8.2486 13.434  6.6053 5.448477       10.56737 
1 1 1 36 7  1  o 44.401  5.1028 21.706   3.2039  44.312  7.1658 44.491  7.2667 -0.1791954     10.20555 
1 1 1 36 7  3  o 19.386  6.0221 0.2309   3.1753  19.304  8.4982 19.469  8.5349 -0.1649399     12.04424 
1 1 1 36 7  5  o 21.519  6.1926 2.2211   3.1742  17.377  7.9448 25.662  9.5012 -8.285830      12.38516 
1 1 1 36 7  7  o 64.352  3.4551 43.317   3.1334  67.420  4.9666 61.284  4.8044 6.135235       6.910106 
1 1 1 36 7  9  o 19.740  5.8534 1.4976   2.9262  17.345  7.9669 22.135  8.5777 -4.789734      11.70682 
1 1 1 36 7  11 o 39.524  5.8186 19.201   3.1440  40.392  8.2890 38.655  8.1681 1.737198       11.63724 
1 1 1 36 7  13 f 17.365  5.4800 -3.0142  3.0307  13.086  6.4448 21.644  8.8649 -8.557858      10.96001 
1 1 1 36 7  15 o 20.975  6.2359 3.5511   3.1711  23.082  9.2899 18.869  8.3212 4.212805       12.47177 
1 1 1 36 7  17 o 26.911  6.9144 10.199   3.3710  28.104  10.258 25.719  9.2746 2.385712       13.82884 
1 1 1 36 7  19 o 21.576  6.3369 4.5609   3.4062  17.756  8.1940 25.395  9.6688 -7.639439      12.67388 
1 1 1 36 7  21 o 17.550  5.7059 -0.1485  3.1670  16.065  7.4048 19.036  8.6833 -2.971741      11.41186 
1 1 1 36 8  0  o 21.467  11.288 7.7361   6.3506  21.467  11.288 ?       ?      0.000000       0.000000 
1 1 1 36 8  2  o 82.977  2.7797 70.997   3.2616  83.858  3.9242 82.095  3.9381 1.763107       5.559490 
1 1 1 36 8  4  o 53.628  4.6086 31.454   3.4329  46.960  7.1304 60.296  5.8406 -13.33567      9.217143 
1 1 1 36 8  6  o 70.533  3.2201 52.066   3.1976  71.454  4.2822 69.611  4.8103 1.843231       6.440170 
1 1 1 36 8  8  o 47.949  4.6397 25.555   3.1440  47.314  6.4670 48.583  6.6546 -1.269218      9.279323 
1 1 1 36 8  10 o 24.093  6.5122 6.7771   3.1165  22.873  9.1589 25.312  9.2601 -2.439058      13.02442 
1 1 1 36 8  12 o 23.001  6.3940 5.5304   3.0668  19.922  8.3718 26.079  9.6666 -6.157114      12.78794 
1 1 1 36 8  14 o 41.274  5.5149 20.899   3.1175  47.171  6.6090 35.377  8.8304 11.79386       11.02976 
1 1 1 36 8  16 o 26.469  6.2951 8.9102   2.8512  20.364  8.1189 32.574  9.6226 -12.20929      12.59014 
1 1 1 36 8  18 o 25.110  7.0832 8.9637   3.8390  26.837  10.224 23.384  9.8062 3.453371       14.16638 
1 1 1 36 8  20 o 17.878  5.8374 -0.5569  3.3941  20.714  9.1907 15.043  7.1995 5.670921       11.67483 
1 1 1 36 9  1  o 76.628  2.9128 60.850   3.0491  77.031  3.4476 76.224  4.6959 0.8060913      5.825543 
1 1 1 36 9  3  o 64.513  3.7951 44.188   3.4553  66.633  5.4584 62.393  5.2742 4.240028       7.590214 
1 1 1 36 9  5  o 35.993  5.7446 15.331   2.8225  37.790  8.5942 34.196  7.6251 3.593834       11.48921 
1 1 1 36 9  7  o 40.643  5.1345 19.163   2.8820  40.216  7.7411 41.070  6.7473 -0.8542786     10.26890 
1 1 1 36 9  9  o 18.992  5.8168 1.7146   2.8300  18.362  7.7852 19.623  8.6448 -1.261183      11.63363 
1 1 1 36 9  11 o 22.749  5.8385 3.7975   2.8225  14.707  6.8892 30.792  9.4283 -16.08498      11.67702 
1 1 1 36 9  13 o 18.595  5.8665 0.4140   3.1727  19.135  8.2612 18.054  8.3316 1.081732       11.73294 
1 1 1 36 9  15 o 33.208  6.8008 15.546   3.3653  32.835  9.2670 33.581  9.9563 -0.7466850     13.60163 
1 1 1 36 9  17 o 20.503  6.3250 2.9548   3.5207  18.461  8.4172 22.546  9.4431 -4.085386      12.64995 
1 1 1 36 9  19 o 34.931  6.7083 18.488   3.4868  30.591  10.168 39.270  8.7530 -8.679075      13.41654 
1 1 1 36 10 0  o 47.940  7.1863 25.402   6.5815  47.940  7.1863 ?       ?      0.000000       0.000000 
1 1 1 36 10 2  o 48.177  4.9645 26.077   3.3574  43.746  7.1265 52.609  6.9135 -8.863007      9.928937 
1 1 1 36 10 4  o 26.884  6.6931 9.0986   3.1742  25.433  9.3429 28.335  9.5865 -2.901930      13.38623 
1 1 1 36 10 6  o 44.023  5.7189 23.316   3.4735  48.264  7.7751 39.781  8.3889 8.483791       11.43789 
1 1 1 36 10 8  o 25.785  6.5626 8.2287   3.1461  29.021  9.5005 22.549  9.0560 6.471348       13.12523 
1 1 1 36 10 10 o 68.774  3.6674 51.354   3.5484  71.515  4.8437 66.034  5.5080 5.480438       7.334769 
1 1 1 36 10 12 o 33.660  6.2352 14.597   3.2411  23.430  8.9065 43.890  8.7283 -20.46059      12.47036 
1 1 1 36 10 14 o 34.940  6.5035 16.695   3.2596  34.171  9.4752 35.710  8.9108 -1.539177      13.00703 
1 1 1 36 10 16 o 21.295  6.2685 3.7551   3.3133  25.502  9.7384 17.089  7.8957 8.413273       12.53707 
1 1 1 36 10 18 o 17.974  5.5346 -0.3573  3.0424  13.882  6.8337 22.067  8.7079 -8.184667      11.06916 
1 1 1 36 11 1  o 21.265  6.6906 -1.0392  4.3316  22.656  9.1226 19.875  9.7896 2.780966       13.38128 
1 1 1 36 11 3  o 33.524  6.5400 15.005   3.3236  28.922  10.143 38.125  8.2586 -9.202894      13.08004 
1 1 1 36 11 5  o 32.137  6.6873 13.781   3.2555  33.558  9.0727 30.715  9.8267 2.842602       13.37451 
1 1 1 36 11 7  o 25.060  6.6656 7.6506   3.2320  26.710  9.6196 23.410  9.2295 3.299770       13.33121 
1 1 1 36 11 9  o 46.226  4.9002 24.597   3.1976  47.219  7.0914 45.233  6.7646 1.986000       9.800428 
1 1 1 36 11 11 o 32.771  6.4192 14.577   3.4023  41.629  8.7381 23.913  9.4060 17.71598       12.83850 
1 1 1 36 11 13 o 23.627  6.5260 6.9114   3.2237  21.918  9.1973 25.336  9.2610 -3.417818      13.05204 
1 1 1 36 11 15 o 25.015  6.2839 8.5968   2.7997  25.620  8.9492 24.411  8.8240 1.209276       12.56787 
1 1 1 36 11 17 o 21.666  6.5144 5.8801   3.4907  21.975  9.3341 21.358  9.0897 0.6170578      13.02875 
1 1 1 36 12 0  o 14.106  10.027 -7.8516  11.085  14.106  10.027 ?       ?      0.000000       0.000000 
1 1 1 36 12 2  o 57.562  4.2204 36.778   3.4348  57.866  5.8864 57.258  6.0497 0.6077766      8.440899 
1 1 1 36 12 4  o 24.844  6.7674 7.3197   3.3653  27.045  10.000 22.643  9.1205 4.402283       13.53484 
1 1 1 36 12 6  o 52.452  4.3647 30.695   3.2072  53.324  6.6043 51.580  5.7083 1.743969       8.729361 
1 1 1 36 12 8  o 40.619  5.4013 20.002   3.0285  44.567  6.9952 36.671  8.2319 7.896263       10.80258 
1 1 1 36 12 10 o 33.703  6.1263 14.963   2.9262  31.510  8.4398 35.897  8.8825 -4.387312      12.25268 
1 1 1 36 12 12 o 26.129  6.6413 9.3579   3.1585  27.219  9.1485 25.039  9.6297 2.180550       13.28255 
1 1 1 36 12 14 o 70.032  3.9758 56.064   3.8711  67.681  6.2269 72.382  4.9451 -4.701035      7.951644 
1 1 1 36 12 16 o 40.837  6.7864 24.572   3.8672  43.858  8.9974 37.815  10.162 6.042431       13.57271 
1 1 1 36 13 1  o 32.991  7.6113 15.890   4.4756  27.895  12.231 38.087  9.0623 -10.19228      15.22255 
1 1 1 36 13 3  o 34.004  6.4642 15.538   3.3133  28.524  9.9087 39.483  8.3044 -10.95944      12.92844 
1 1 1 36 13 5  o 34.568  6.6406 16.303   3.3771  31.149  9.8115 37.987  8.9513 -6.838005      13.28123 
1 1 1 36 13 7  o 29.370  6.9836 12.368   3.4232  31.094  10.168 27.647  9.5757 3.446802       13.96721 
1 1 1 36 13 9  o 34.492  6.7938 16.891   3.5503  29.525  10.087 39.459  9.1037 -9.934357      13.58768 
1 1 1 36 13 11 o 22.559  6.3472 4.0105   3.4601  28.708  10.063 16.410  7.7385 12.29790       12.69434 
1 1 1 36 13 13 o 16.456  5.4164 -1.3727  3.0908  16.311  7.7383 16.601  7.5809 -0.2900429     10.83289 
1 1 1 36 13 15 o 29.512  7.0274 13.687   3.6362  25.163  9.9448 33.861  9.9318 -8.698385      14.05487 
1 1 1 36 14 0  o 61.423  4.7558 39.951   5.7732  61.423  4.7558 ?       ?      0.000000       0.000000 
1 1 1 36 14 2  o 73.333  5.2525 62.328   4.7201  74.946  9.2438 71.720  4.9908 3.226288       10.50508 
1 1 1 36 14 4  o 70.264  3.5714 54.004   3.5390  68.063  4.9197 72.466  5.1785 -4.402687      7.142803 
1 1 1 36 14 6  o 25.406  6.9849 8.8261   3.6080  24.598  9.7671 26.214  9.9880 -1.616301      13.96981 
1 1 1 36 14 8  o 29.593  6.5137 12.019   3.2616  23.329  9.2765 35.857  9.1466 -12.52804      13.02738 
1 1 1 36 14 10 o 19.753  6.2424 2.2516   3.5794  19.643  8.8022 19.864  8.8540 -0.2200832     12.48485 
1 1 1 36 14 12 o 17.148  5.5305 -0.1368  2.9393  14.105  6.7401 20.192  8.7702 -6.087474      11.06095 
1 1 1 36 15 1  o 62.898  4.0078 44.409   3.5447  61.214  6.0359 64.581  5.2743 -3.366451      8.015677 
1 1 1 36 15 3  o 37.245  8.2346 22.165   4.6370  36.171  13.523 38.319  9.3996 -2.148018      16.46913 
1 1 1 36 15 5  o 31.305  7.2750 14.648   3.7217  30.681  10.168 31.929  10.407 -1.247187      14.54993 
1 1 1 36 15 7  o 21.579  6.3621 4.8084   3.3710  19.565  8.8773 23.594  9.1159 -4.028404      12.72425 
1 1 1 36 15 9  o 20.182  6.3050 3.3630   3.6549  18.261  8.5431 22.104  9.2751 -3.842743      12.61002 
1 1 1 36 15 11 o 19.804  6.1969 2.4598   3.5179  22.621  9.4988 16.987  7.9610 5.634041       12.39372 
1 1 1 36 16 0  o 13.456  9.1807 -0.6928  7.2743  13.456  9.1807 ?       ?      0.000000       0.000000 
1 1 1 36 16 2  o 16.189  5.4291 -3.3007  3.3445  15.804  7.5174 16.575  7.8352 -0.7708054     10.85823 
1 1 1 36 16 4  o 19.550  6.2693 2.2027   3.7304  20.695  9.3102 18.405  8.3987 2.289257       12.53863 
1 1 1 36 16 6  o 22.335  6.4609 6.6392   3.3485  19.674  8.6869 24.996  9.5661 -5.322136      12.92181 
1 1 1 36 16 8  o 34.062  6.8886 17.345   3.4239  37.228  10.339 30.896  9.1063 6.331871       13.77725 
1 1 1 36 17 1  o 21.138  6.2849 5.0959   3.2237  18.638  8.2570 23.638  9.4773 -5.000015      12.56972 
1 1 1 36 17 3  o 22.929  6.6660 7.0596   3.4735  25.393  10.027 20.464  8.7869 4.928995       13.33198 
1 1 1 36 17 5  o 21.396  7.0833 2.1898   4.3747  26.923  11.978 15.869  7.5642 11.05329       14.16663 
1 1 1 37 1  0  o 22.004  11.513 8.1980   6.5815  22.004  11.513 ?       ?      0.000000       0.000000 
1 1 1 37 1  2  o 44.508  4.8175 22.083   2.9129  48.241  5.8641 40.775  7.6449 7.466396       9.634939 
1 1 1 37 1  4  o 51.817  4.1003 28.806   2.9976  51.906  5.5612 51.727  6.0269 0.1789284      8.200658 
1 1 1 37 1  6  o 18.098  5.7364 -0.7494  3.0500  17.859  8.1398 18.337  8.0851 -0.4783859     11.47277 
1 1 1 37 1  8  o 26.236  6.6782 8.4382   3.2320  23.267  9.2116 29.205  9.6717 -5.938560      13.35649 
1 1 1 37 1  10 o 21.221  6.3241 3.3150   3.2867  18.973  8.4077 23.469  9.4492 -4.496477      12.64817 
1 1 1 37 1  12 o 56.729  4.1005 35.401   3.2745  55.106  5.5526 58.351  6.0353 -3.244690      8.200983 
1 1 1 37 1  14 f 66.310  3.1249 47.158   2.9083  64.472  4.7460 68.147  4.0664 -3.675430      6.249781 
1 1 1 37 1  16 o 46.228  5.5816 25.770   3.4861  40.212  7.5992 52.243  8.1775 -12.03184      11.16326 
1 1 1 37 1  18 o 25.598  6.6835 8.8108   3.8806  30.879  9.3197 20.316  9.5823 10.56283       13.36707 
1 1 1 37 1  20 o 24.180  6.3085 6.1116   3.6430  30.902  9.4215 17.459  8.3921 13.44372       12.61707 
1 1 1 37 2  1  o 57.406  3.5530 34.023   2.8300  49.686  4.9963 65.126  5.0529 -15.43977      7.105985 
1 1 1 37 2  3  o 34.172  5.9021 13.880   2.8551  38.144  7.9774 30.201  8.7007 7.943748       11.80422 
1 1 1 37 2  5  o 46.796  4.5254 24.208   2.9398  50.605  5.5901 42.987  7.1180 7.618645       9.050724 
1 1 1 37 2  7  o 43.046  5.5715 21.869   3.3194  44.881  7.4607 41.210  8.2766 3.670956       11.14293 
1 1 1 37 2  9  o 44.536  4.7682 22.607   3.0010  45.842  6.6747 43.230  6.8109 2.611923       9.536303 
1 1 1 37 2  11 o 35.213  6.6380 16.332   3.4290  40.225  9.1087 30.200  9.6583 10.02518       13.27598 
1 1 1 37 2  13 o 43.640  5.8306 23.832   3.4601  49.812  6.7222 37.467  9.5287 12.34561       11.66122 
1 1 1 37 2  15 o 40.115  6.4870 21.693   3.6080  42.110  8.9109 38.119  9.4298 3.990150       12.97403 
1 1 1 37 2  17 o 57.412  4.3749 38.038   3.5179  54.268  6.7022 60.555  5.6249 -6.287525      8.749825 
1 1 1 37 2  19 o 25.899  7.5140 11.579   4.3374  25.440  10.032 26.357  11.189 -0.9169617     15.02808 
1 1 1 37 3  0  o 101.982 3.2909 105.535  6.6969  101.982 3.2909 ?       ?      0.000000       0.000000 
1 1 1 37 3  2  o 108.282 2.2522 119.948  3.4154  109.049 2.9118 107.515 3.4366 1.533615       4.504305 
1 1 1 37 3  4  o 60.188  3.9397 38.856   3.3475  57.577  5.7154 62.799  5.4240 -5.221603      7.879407 
1 1 1 37 3  6  o 18.607  5.7720 0.6882   2.9152  19.022  8.2794 18.192  8.0446 0.8303471      11.54401 
1 1 1 37 3  8  o 24.086  6.2219 6.5743   2.7331  28.237  9.5865 19.934  7.9340 8.302694       12.44386 
1 1 1 37 3  10 o 41.376  5.2438 20.586   2.9015  36.012  8.7343 46.740  5.8053 -10.72831      10.48760 
1 1 1 37 3  12 o 22.968  6.5560 5.5534   3.2867  21.650  8.9695 24.286  9.5642 -2.635962      13.11206 
1 1 1 37 3  14 o 31.444  6.6697 13.688   3.2494  35.588  9.5375 27.300  9.3262 8.287262       13.33947 
1 1 1 37 3  16 o 47.160  5.1876 27.049   3.2897  52.968  6.1037 41.352  8.3898 11.61540       10.37517 
1 1 1 37 3  18 o 19.745  5.9463 3.9910   2.9015  18.232  7.9420 21.257  8.8521 -3.024132      11.89264 
1 1 1 37 4  1  f 28.726  6.3047 10.008   2.8242  27.549  8.7663 29.902  9.0636 -2.353794      12.60936 
1 1 1 37 4  3  o 30.866  5.9064 11.245   2.6321  35.793  8.6354 25.939  8.0605 9.854700       11.81275 
1 1 1 37 4  5  o 27.259  6.5876 9.2512   3.0755  28.592  9.0360 25.926  9.5883 2.665768       13.17511 
1 1 1 37 4  7  o 44.354  4.9797 22.835   2.9743  46.320  5.8580 42.388  8.0544 3.932446       9.959352 
1 1 1 37 4  9  o 74.296  3.1663 59.657   3.2237  82.029  3.7302 66.562  5.1173 15.46661       6.332537 
1 1 1 37 4  11 o 56.303  4.2010 35.435   3.2816  60.307  5.1694 52.299  6.6234 8.008537       8.401928 
1 1 1 37 4  13 o 45.708  5.0445 24.643   3.2555  46.983  7.2499 44.433  7.0162 2.549522       10.08902 
1 1 1 37 4  15 o 22.896  6.6322 5.8143   3.4907  20.341  8.8790 25.452  9.8542 -5.111006      13.26435 
1 1 1 37 4  17 o 45.864  5.7640 27.486   3.5221  50.897  6.3521 40.832  9.6201 10.06512       11.52799 
1 1 1 37 4  19 o 35.593  6.7784 18.740   3.4811  35.362  10.002 35.824  9.1517 -0.4614944     13.55676 
1 1 1 37 5  0  o 12.014  8.2820 -2.6557  6.2351  12.014  8.2820 ?       ?      0.000000       0.000000 
1 1 1 37 5  2  o 51.440  4.8083 29.728   3.4485  53.469  6.0465 49.410  7.4779 4.058643       9.616639 
1 1 1 37 5  4  o 84.642  2.9424 75.066   3.5179  83.992  4.0554 85.293  4.2643 -1.300827      5.884763 
1 1 1 37 5  6  o 37.698  6.3454 18.156   3.3445  34.781  9.1656 40.615  8.7776 -5.834141      12.69070 
1 1 1 37 5  8  o 32.767  6.5991 14.263   3.2596  35.855  8.8888 29.679  9.7562 6.176395       13.19823 
1 1 1 37 5  10 o 56.928  4.0162 35.462   3.2072  58.553  6.0145 55.303  5.3240 3.249744       8.032408 
1 1 1 37 5  12 o 49.835  4.5061 28.228   3.1658  46.972  6.3912 52.699  6.3540 -5.726406      9.012244 
1 1 1 37 5  14 o 51.229  4.8117 31.494   3.2039  41.406  8.0969 61.053  5.2008 -19.64735      9.623302 
1 1 1 37 5  16 o 50.434  5.5072 32.131   3.6225  42.602  9.3351 58.266  5.8459 -15.66481      11.01445 
1 1 1 37 5  18 o 26.976  6.9140 11.662   3.4062  27.593  9.8019 26.359  9.7537 1.234674       13.82792 
1 1 1 37 6  1  o 29.117  6.8732 10.996   3.4348  25.431  9.7305 32.802  9.7098 -7.371008      13.74639 
1 1 1 37 6  3  o 16.992  5.5973 -2.9234  3.2412  17.914  8.2916 16.071  7.5213 1.842886       11.19462 
1 1 1 37 6  5  o 26.035  6.6281 8.5517   3.1711  28.015  9.3262 24.056  9.4207 3.959448       13.25619 
1 1 1 37 6  7  o 27.018  6.5046 9.3361   3.0285  23.944  9.0264 30.092  9.3683 -6.148249      13.00926 
1 1 1 37 6  9  o 37.627  5.8070 17.594   3.0884  31.339  9.2919 43.916  6.9674 -12.57736      11.61394 
1 1 1 37 6  11 o 56.947  3.8349 35.649   3.0863  57.700  5.5031 56.194  5.3423 1.505707       7.669732 
1 1 1 37 6  13 o 45.496  5.2779 25.786   3.1398  37.008  8.9722 53.984  5.5611 -16.97565      10.55587 
1 1 1 37 6  15 o 29.204  6.5268 11.835   3.1753  24.394  9.3213 34.015  9.1385 -9.620916      13.05367 
1 1 1 37 6  17 f 21.959  6.2489 5.2331   3.3974  17.168  8.0682 26.750  9.5447 -9.582254      12.49787 
1 1 1 37 7  0  o 64.944  4.9460 44.454   6.3506  64.944  4.9460 ?       ?      0.000000       0.000000 
1 1 1 37 7  2  o 52.329  4.8677 31.480   3.5484  46.333  7.4762 58.326  6.2358 -11.99359      9.735483 
1 1 1 37 7  4  o 28.024  6.8660 10.372   3.3445  30.508  9.9230 25.539  9.4921 4.968822       13.73192 
1 1 1 37 7  6  o 29.359  6.3156 11.118   2.9129  25.822  8.9559 32.897  8.9072 -7.075233      12.63121 
1 1 1 37 7  8  o 19.302  5.8170 0.7194   2.9976  23.461  9.1731 15.144  7.1558 8.316827       11.63406 
1 1 1 37 7  10 o 17.180  5.5552 -1.1162  3.0175  17.321  7.9895 17.039  7.7207 0.2820778      11.11044 
1 1 1 37 7  12 o 20.029  6.1969 2.0483   3.4348  17.858  8.2495 22.201  9.2495 -4.342625      12.39384 
1 1 1 37 7  14 o 37.022  6.3801 18.374   3.3133  39.520  8.9685 34.523  9.0769 4.997410       12.76027 
1 1 1 37 7  16 o 33.302  6.4820 17.170   3.3666  39.362  7.4575 27.242  10.604 12.12066       12.96406 
1 1 1 37 8  1  o 89.801  2.7195 84.374   3.4057  90.340  3.4509 89.263  4.2040 1.076965       5.438961 
1 1 1 37 8  3  f 22.084  6.7104 2.3430   3.9443  17.819  8.3520 26.348  10.505 -8.529148      13.42087 
1 1 1 37 8  5  o 19.087  5.8956 -0.2425  3.1585  23.405  9.4385 14.770  7.0674 8.634847       11.79120 
1 1 1 37 8  7  o 25.625  6.6369 7.8516   3.2816  21.061  8.8164 30.190  9.9230 -9.129539      13.27384 
1 1 1 37 8  9  o 38.951  5.9491 20.136   3.2993  48.483  6.3111 29.420  10.087 19.06363       11.89828 
1 1 1 37 8  11 o 37.277  5.7445 17.324   3.0280  28.181  8.6211 46.373  7.5942 -18.19263      11.48890 
1 1 1 37 8  13 o 24.830  6.4173 7.7625   2.9977  20.317  8.3392 29.344  9.7562 -9.027412      12.83451 
1 1 1 37 8  15 o 38.783  6.3731 21.242   3.4057  40.616  9.4151 36.951  8.5920 3.664886       12.74629 
1 1 1 37 8  17 o 21.902  6.3845 5.8408   3.1914  20.326  8.5869 23.477  9.4506 -3.150793      12.76899 
1 1 1 37 9  0  o 17.562  10.619 4.8495   6.6969  17.562  10.619 ?       ?      0.000000       0.000000 
1 1 1 37 9  2  o 62.570  6.5453 49.449   4.6370  68.621  5.2162 56.519  12.006 12.10167       13.09061 
1 1 1 37 9  4  o 75.601  3.5424 61.846   3.7517  82.308  4.6294 68.894  5.3631 13.41389       7.084793 
1 1 1 37 9  6  o 20.047  6.1556 2.2132   3.2596  18.833  8.3689 21.260  9.0292 -2.426918      12.31117 
1 1 1 37 9  8  o 23.013  6.6516 5.4753   3.5785  19.621  8.7630 26.404  10.009 -6.783472      13.30315 
1 1 1 37 9  10 o 30.745  6.7227 13.397   3.3475  26.421  9.7583 35.069  9.2496 -8.647867      13.44546 
1 1 1 37 9  12 o 21.551  6.3482 4.7588   3.1959  21.380  8.6612 21.721  9.2834 -0.3413391     12.69638 
1 1 1 37 9  14 o 35.575  5.9493 18.169   3.1375  43.409  6.5168 27.741  9.9553 15.66815       11.89862 
1 1 1 37 9  16 o 24.226  6.4433 8.2444   2.9697  24.425  8.3976 24.027  9.7746 0.3985004      12.88653 
1 1 1 37 10 1  o 36.934  7.3140 20.225   4.5918  45.462  7.4924 28.407  12.564 17.05504       14.62805 
1 1 1 37 10 3  o 54.862  4.6655 34.556   3.6080  57.692  6.3044 52.033  6.8791 5.659313       9.331005 
1 1 1 37 10 5  o 58.105  3.8626 37.285   3.1658  56.457  5.3175 59.753  5.6038 -3.296444      7.725186 
1 1 1 37 10 7  o 20.975  6.1354 2.8916   3.3073  16.994  7.9911 24.957  9.3120 -7.962915      12.27073 
1 1 1 37 10 9  o 31.071  7.1540 14.196   3.6080  30.191  10.087 31.950  10.147 -1.759527      14.30800 
1 1 1 37 10 11 o 24.317  6.3904 7.7922   2.9662  25.597  8.9484 23.037  9.1254 2.559353       12.78071 
1 1 1 37 10 13 o 20.945  6.1727 5.3114   3.0598  19.748  8.5153 22.141  8.9387 -2.392342      12.34549 
1 1 1 37 10 15 o 16.259  5.4132 -2.8701  3.2289  14.650  7.0730 17.869  8.1964 -3.218156      10.82631 
1 1 1 37 11 0  o 14.578  10.297 -5.6578  11.200  14.578  10.297 ?       ?      0.000000       0.000000 
1 1 1 37 11 2  f 29.557  6.9801 12.548   3.4926  32.410  9.8323 26.704  9.9104 5.706482       13.96029 
1 1 1 37 11 4  f 61.051  4.0195 42.165   3.3905  56.829  6.4001 65.274  4.8646 -8.444363      8.038999 
1 1 1 37 11 6  o 24.875  6.5795 8.1238   3.2165  22.629  9.3714 27.121  9.2378 -4.491478      13.15903 
1 1 1 37 11 8  o 45.600  5.5277 25.616   3.4811  48.953  7.5477 42.246  8.0780 6.707424       11.05542 
1 1 1 37 11 10 o 20.876  6.3967 3.1703   3.6603  18.243  8.5131 23.508  9.5498 -5.265610      12.79342 
1 1 1 37 11 12 o 19.795  6.1655 3.6371   3.3485  19.835  8.7295 19.755  8.7093 0.8031464E-01  12.33107 
1 1 1 37 11 14 o 20.318  6.1511 1.8531   3.5207  15.720  7.5867 24.916  9.6842 -9.196201      12.30215 
1 1 1 37 12 1  o 28.551  8.2097 12.051   4.3772  33.711  13.582 23.390  9.2270 10.32161       16.41947 
1 1 1 37 12 3  o 43.708  5.7129 24.020   3.4290  46.173  7.1271 41.244  8.9306 4.928062       11.42586 
1 1 1 37 12 5  o 39.716  5.9101 21.534   3.6949  23.956  9.7650 55.475  6.6604 -31.51888      11.82016 
1 1 1 37 12 7  o 43.930  5.7382 24.642   3.4232  39.786  9.2995 48.074  6.7251 -8.288109      11.47635 
1 1 1 37 12 9  f 36.694  6.4205 19.232   3.3194  37.916  8.8347 35.472  9.3188 2.443813       12.84098 
1 1 1 37 12 11 o 15.560  5.2401 -3.4241  3.1585  14.573  6.9956 16.547  7.8037 -1.974281      10.48028 
1 1 1 37 13 0  o 22.701  11.756 9.8145   6.8124  22.701  11.756 ?       ?      0.000000       0.000000 
1 1 1 37 13 2  o 68.038  6.4753 57.392   5.1371  69.920  11.642 66.157  5.6723 3.762489       12.95060 
1 1 1 37 13 4  o 54.277  4.7476 34.997   3.6362  51.726  6.9199 56.828  6.5018 -5.101967      9.495170 
1 1 1 37 13 6  o 34.056  6.9997 17.779   3.5561  34.115  9.3653 33.996  10.405 0.1195946      13.99932 
1 1 1 37 13 8  o 45.894  5.1974 26.870   3.2616  41.524  8.0739 50.264  6.5469 -8.739628      10.39472 
1 1 1 37 13 10 o 18.245  5.8391 0.9339   3.2616  18.906  8.4211 17.584  8.0909 1.321211       11.67813 
1 1 1 37 14 1  o 39.396  5.8998 21.200   3.2165  42.899  6.9981 35.894  9.5004 7.004475       11.79958 
1 1 1 37 14 3  o 40.323  6.8917 25.702   3.9943  32.851  11.941 47.796  6.8850 -14.94479      13.78334 
1 1 1 37 14 5  o 25.393  6.8157 9.8834   3.5785  29.379  10.005 21.408  9.2580 7.971394       13.63149 
1 1 1 37 14 7  o 34.057  6.8701 17.493   3.4907  36.624  9.6409 31.490  9.7902 5.134272       13.74027 
1 1 1 37 15 0  o 46.029  8.9934 26.557   7.3897  46.029  8.9934 ?       ?      0.000000       0.000000 
1 1 1 37 15 2  o 30.922  6.7779 14.616   3.3677  27.867  10.554 33.978  8.5068 -6.111021      13.55583 
1 1 1 37 15 4  o 27.068  7.0966 11.061   3.9626  22.284  9.8292 31.853  10.239 -9.569344      14.19330 
1 1 1 38 1  1  o 19.976  6.0530 2.3333   3.0500  21.589  9.0041 18.362  8.0921 3.226812       12.10602 
1 1 1 38 1  3  f 39.466  5.3060 18.632   2.8341  42.579  6.1015 36.353  8.6826 6.226254       10.61207 
1 1 1 38 1  5  o 27.712  6.2299 8.9540   3.0064  19.250  8.1015 36.174  9.4665 -16.92390      12.45983 
1 1 1 38 1  7  o 33.245  6.5755 14.812   3.2289  30.519  9.3416 35.971  9.2566 -5.452074      13.15109 
1 1 1 38 1  9  o 32.261  6.4150 14.117   3.0326  31.959  9.6613 32.562  8.4419 -0.6030655     12.82994 
1 1 1 38 1  11 o 54.604  4.3881 34.034   3.3325  62.104  5.7636 47.104  6.6184 14.99958       8.776238 
1 1 1 38 1  13 o 27.609  6.4360 9.9941   3.0491  34.802  9.8444 20.416  8.2931 14.38634       12.87200 
1 1 1 38 1  15 o 19.719  6.1515 3.4531   3.3712  19.127  8.6432 20.312  8.7556 -1.184845      12.30307 
1 1 1 38 2  0  o 68.004  4.3666 48.149   5.8887  68.004  4.3666 ?       ?      0.000000       0.000000 
1 1 1 38 2  2  o 61.605  4.1759 42.029   3.6371  62.448  5.8242 60.762  5.9859 1.686844       8.351804 
1 1 1 38 2  4  o 68.334  3.6342 50.637   3.4926  63.818  5.4278 72.851  4.8341 -9.032734      7.268414 
1 1 1 38 2  6  o 46.802  4.3130 24.273   2.8225  42.131  6.0293 51.472  6.1689 -9.340839      8.626034 
1 1 1 38 2  8  o 25.350  6.3608 8.0554   2.9036  30.069  9.6626 20.631  8.2748 9.437630       12.72155 
1 1 1 38 2  10 o 56.964  3.7912 35.562   3.0206  62.085  5.4864 51.843  5.2339 10.24141       7.582455 
1 1 1 38 2  12 f 43.804  5.3784 23.503   3.2596  41.479  7.9383 46.130  7.2588 -4.650932      10.75672 
1 1 1 38 2  14 f 35.189  6.8193 18.894   3.5710  31.275  10.328 39.102  8.9072 -7.826332      13.63850 
1 1 1 38 2  16 o 23.898  6.8193 8.0183   3.5561  26.427  10.241 21.369  9.0070 5.057661       13.63856 
1 1 1 38 3  1  o 35.031  6.5976 15.894   3.3941  28.155  9.3262 41.908  9.3346 -13.75319      13.19517 
1 1 1 38 3  3  o 71.545  3.3385 54.704   3.3751  69.372  4.7436 73.717  4.6989 -4.344971      6.676946 
1 1 1 38 3  5  o 65.098  3.9480 46.499   3.6225  62.324  5.4653 67.872  5.6990 -5.548264      7.896098 
1 1 1 38 3  7  o 29.014  6.3689 11.015   2.8512  24.949  8.4004 33.079  9.5753 -8.130108      12.73784 
1 1 1 38 3  9  o 36.125  6.0043 17.222   3.0652  40.618  6.6804 31.631  9.9789 8.986130       12.00857 
1 1 1 38 3  11 o 43.377  5.7199 23.603   3.4329  40.209  8.5804 46.545  7.5661 -6.335938      11.43984 
1 1 1 38 3  13 o 69.981  3.8061 55.192   3.7517  72.796  5.0757 67.166  5.6730 5.629677       7.612189 
1 1 1 38 3  15 o 32.490  6.7637 16.443   3.4868  37.589  9.0116 27.392  10.089 10.19636       13.52736 
1 1 1 38 4  0  o 20.205  11.680 7.3897   7.5052  20.205  11.680 ?       ?      0.000000       0.000000 
1 1 1 38 4  2  o 78.219  3.0380 64.883   3.3445  80.368  4.0228 76.069  4.5536 4.298141       6.076055 
1 1 1 38 4  4  o 84.281  3.1033 75.458   3.6913  80.097  4.4688 88.465  4.3072 -8.367638      6.206628 
1 1 1 38 4  6  o 23.464  6.3294 6.6249   2.8672  25.689  9.5707 21.240  8.2854 4.448437       12.65883 
1 1 1 38 4  8  o 38.392  6.3309 19.629   3.3771  38.296  9.0306 38.487  8.8754 -0.1909103     12.66187 
1 1 1 38 4  10 o 58.814  3.8195 38.045   3.1238  56.545  4.9008 61.083  5.8599 -4.538124      7.639080 
1 1 1 38 4  12 o 27.127  6.3236 10.002   2.7865  24.083  8.3862 30.171  9.4670 -6.088642      12.64723 
1 1 1 38 4  14 o 24.002  6.7013 8.4289   3.5217  20.473  8.9817 27.530  9.9478 -7.056435      13.40261 
1 1 1 38 5  1  o 26.852  6.5450 8.9807   3.2596  21.130  8.8741 32.573  9.6227 -11.44264      13.08990 
1 1 1 38 5  3  o 44.066  5.2720 23.214   3.1976  43.234  8.0454 44.898  6.8151 -1.663963      10.54390 
1 1 1 38 5  5  o 35.228  6.5962 16.874   3.3475  36.561  9.0399 33.894  9.6084 2.666832       13.19246 
1 1 1 38 5  7  o 38.558  5.8320 19.066   3.0884  40.582  7.8189 36.534  8.6551 4.047619       11.66390 
1 1 1 38 5  9  o 74.031  3.2820 60.078   3.3236  68.274  5.3273 79.789  3.8349 -11.51463      6.564010 
1 1 1 38 5  11 o 49.003  4.5227 27.872   3.1079  47.749  6.8917 50.257  5.8586 -2.507893      9.045335 
1 1 1 38 5  13 o 31.700  6.7247 15.261   3.2892  26.951  9.2377 36.449  9.7752 -9.498293      13.44947 
1 1 1 38 5  15 o 24.513  6.5899 8.4949   3.2320  21.751  8.9879 27.274  9.6398 -5.523718      13.17980 
1 1 1 38 6  0  o 58.814  5.2831 37.064   6.1196  58.814  5.2831 ?       ?      0.000000       0.000000 
1 1 1 38 6  2  o 53.354  5.0608 34.152   3.5503  43.546  8.3865 63.163  5.6670 -19.61628      10.12162 
1 1 1 38 6  4  o 21.949  6.5044 4.7166   3.4348  23.636  9.5238 20.263  8.8617 3.373386       13.00888 
1 1 1 38 6  6  o 30.329  6.0033 12.286   2.8575  24.192  8.9736 36.466  7.9769 -12.27404      12.00652 
1 1 1 38 6  8  o 34.052  6.5403 15.995   3.2555  36.219  8.7029 31.886  9.7654 4.332857       13.08069 
1 1 1 38 6  10 o 21.339  6.3967 4.4006   3.3395  22.220  9.3392 20.458  8.7437 1.761419       12.79348 
1 1 1 38 6  12 o 20.488  5.9223 2.8167   3.1461  14.854  7.1473 26.121  9.4452 -11.26691      11.84464 
1 1 1 38 6  14 o 33.324  6.6559 16.474   3.3194  36.406  9.0634 30.242  9.7499 6.163799       13.31186 
1 1 1 38 7  1  o 39.257  5.8709 19.385   3.2187  31.772  8.7931 46.741  7.7814 -14.96900      11.74178 
1 1 1 38 7  3  o 23.144  7.0014 5.7594   4.0697  23.232  9.6957 23.056  10.103 0.1760902      14.00281 
1 1 1 38 7  5  o 15.040  5.1802 -7.8392  3.4735  13.903  6.8213 16.177  7.7979 -2.274080      10.36038 
1 1 1 38 7  7  o 34.045  7.1145 16.801   3.6640  33.758  10.232 34.331  9.8877 -0.5729904     14.22904 
1 1 1 38 7  9  o 78.545  3.1757 66.568   3.5132  78.886  4.2447 78.204  4.7246 0.6819687      6.351341 
1 1 1 38 7  11 o 21.777  6.3847 6.1279   3.2289  21.930  8.9594 21.624  9.0986 0.3055401      12.76936 
1 1 1 38 7  13 o 20.326  6.0627 2.9920   3.2897  24.495  9.3924 16.157  7.6687 8.338402       12.12543 
1 1 1 38 8  0  o 10.973  7.8274 -6.1196  6.9279  10.973  7.8274 ?       ?      0.000000       0.000000 
1 1 1 38 8  2  o 48.354  9.1603 35.659   5.1914  47.478  7.4174 49.230  16.752 -1.751068      18.32061 
1 1 1 38 8  4  f 56.893  4.4136 37.238   3.5132  54.408  6.7910 59.378  5.6393 -4.969681      8.827168 
1 1 1 38 8  6  o 16.066  5.4403 -5.3691  3.5217  15.607  7.5307 16.525  7.8533 -0.9173517     10.88052 
1 1 1 38 8  8  o 19.381  5.8708 -1.0668  3.3771  13.516  6.6860 25.246  9.6521 -11.72956      11.74161 
1 1 1 38 8  10 o 32.850  6.8964 16.916   3.5217  28.893  9.9953 36.808  9.5046 -7.914804      13.79288 
1 1 1 38 8  12 o 34.442  6.4182 17.338   3.2897  28.804  9.7562 40.081  8.3420 -11.27745      12.83635 
1 1 1 38 9  1  o 51.454  7.5104 39.874   4.8419  62.725  6.0746 40.183  13.738 22.54189       15.02087 
1 1 1 38 9  3  o 63.197  3.6453 44.054   3.2165  64.968  4.6209 61.427  5.6391 3.540657       7.290536 
1 1 1 38 9  5  o 52.193  4.6364 31.669   3.3905  46.699  6.7995 57.688  6.3048 -10.98923      9.272736 
1 1 1 38 9  7  o 24.195  6.5270 7.8598   3.2237  28.243  9.8244 20.147  8.5960 8.095997       13.05409 
1 1 1 38 9  9  o 18.503  5.7815 1.1386   3.1079  22.325  9.1770 14.680  7.0346 7.645673       11.56294 
1 1 1 38 9  11 o 22.760  6.3937 5.0953   3.5785  28.719  9.9895 16.801  7.9830 11.91807       12.78744 
1 1 1 38 10 0  o 16.406  11.412 -1.9629  12.701  16.406  11.412 ?       ?      0.000000       0.000000 
1 1 1 38 10 2  o 18.094  5.8454 -0.3395  3.3712  19.826  8.8113 16.362  7.6836 3.464052       11.69088 
1 1 1 38 10 4  o 15.942  5.2195 -1.3748  2.7411  14.303  6.7212 17.580  7.9875 -3.276507      10.43909 
1 1 1 38 10 6  o 22.509  6.4041 6.1721   3.4639  18.698  8.6432 26.321  9.4523 -7.622658      12.80822 
1 1 1 38 10 8  o 20.359  6.2636 3.9171   3.4630  22.329  9.2729 18.389  8.4229 3.939817       12.52723 
1 1 1 38 10 10 o 19.246  5.9881 2.0487   3.2596  17.201  8.0089 21.291  8.9044 -4.090410      11.97626 
1 1 1 38 11 1  o 17.500  6.1915 -6.7006  4.6276  20.670  10.219 14.330  6.9941 6.339781       12.38305 
1 1 1 38 11 3  o 21.171  5.8412 3.8061   3.1238  26.597  8.8754 15.746  7.5963 10.85099       11.68230 
1 1 1 38 11 5  o 19.100  5.8816 2.4248   3.1175  16.266  7.6218 21.934  8.9600 -5.668402      11.76322 
1 1 1 38 11 7  o 22.453  6.2487 4.4975   3.5315  16.458  7.9148 28.447  9.6717 -11.98853      12.49744 
1 1 1 38 12 0  o 32.508  11.678 16.858   6.9279  32.508  11.678 ?       ?      0.000000       0.000000 
1 1 1 38 12 2  o 39.823  6.7780 24.066   3.9657  32.496  11.231 47.151  7.5914 -14.65479      13.55605 
1 1 1 38 12 4  f 35.472  6.4138 18.115   3.3173  30.235  9.8399 40.710  8.2295 -10.47503      12.82768 
1 1 1 39 1  0  o 13.146  8.8817 -0.5773  6.5815  13.146  8.8817 ?       ?      0.000000       0.000000 
1 1 1 39 1  2  o 28.717  6.7029 11.546   3.2330  25.562  9.4938 31.872  9.4649 -6.309538      13.40585 
1 1 1 39 1  4  o 42.543  5.2340 21.968   3.0863  41.307  7.5482 43.779  7.2530 -2.471977      10.46808 
1 1 1 39 1  6  o 23.298  6.3748 6.8254   3.0755  25.184  9.0156 21.412  9.0151 3.771448       12.74965 
1 1 1 39 1  8  o 15.175  5.0538 -2.9088  2.8435  15.768  7.2608 14.581  7.0316 1.187291       10.10758 
1 1 1 39 1  10 o 23.354  5.9300 6.3835   2.7865  30.857  9.4242 15.852  7.2002 15.00500       11.85997 
1 1 1 39 2  1  o 20.935  6.2527 3.5467   3.2596  18.153  8.2050 23.716  9.4374 -5.562294      12.50545 
1 1 1 39 2  3  o 45.977  5.6583 26.581   3.5207  51.956  6.6670 39.998  9.1442 11.95839       11.31658 
1 1 1 39 2  5  o 48.823  5.0573 28.559   3.4868  47.334  7.0741 50.311  7.2293 -2.976807      10.11460 
1 1 1 39 2  7  o 21.770  6.3842 5.3053   3.2816  18.837  8.3414 24.703  9.6672 -5.865858      12.76847 
1 1 1 39 2  9  o 44.445  4.9124 24.508   3.0819  46.018  7.0256 42.871  6.8678 3.146214       9.824764 
1 1 1 39 2  11 o 25.615  6.1411 9.1395   2.9621  30.473  8.4343 20.756  8.9284 9.716484       12.28230 
1 1 1 39 3  0  o 13.716  9.1739 0.2309   6.6969  13.716  9.1739 ?       ?      0.000000       0.000000 
1 1 1 39 3  2  f 21.873  6.2637 3.2953   3.2772  15.469  7.2837 28.278  10.192 -12.80848      12.52740 
1 1 1 39 3  4  o 27.966  6.8789 11.239   3.3771  25.481  9.6200 30.450  9.8352 -4.969227      13.75775 
1 1 1 39 3  6  o 21.724  6.1115 2.7563   3.3751  14.750  7.1487 28.698  9.9145 -13.94742      12.22296 
1 1 1 39 3  8  o 26.996  5.8605 10.318   2.6265  21.871  8.4839 32.121  8.0874 -10.25006      11.72097 
1 1 1 39 3  10 o 23.929  6.4875 7.7897   3.2165  19.275  8.3743 28.584  9.9107 -9.308887      12.97501 
1 1 1 39 4  1  o 27.421  7.0829 10.947   3.5710  27.762  10.245 27.079  9.7835 0.6825600      14.16584 
1 1 1 39 4  3  o 20.470  6.2605 2.8780   3.4553  22.509  9.2020 18.432  8.4911 4.077396       12.52103 
1 1 1 39 4  5  o 20.419  6.1282 3.9237   3.1440  18.917  8.4238 21.922  8.9028 -3.004833      12.25642 
1 1 1 39 4  7  o 17.975  5.5962 0.9470   2.9743  15.571  7.4558 20.379  8.3477 -4.807834      11.19250 
1 1 1 39 4  9  o 19.992  6.1004 4.0434   3.1461  19.845  8.6170 20.140  8.6375 -0.2956066     12.20085 
1 1 1 39 5  0  o 18.750  10.591 6.5815   6.0042  18.750  10.591 ?       ?      0.000000       0.000000 
1 1 1 39 5  2  o 23.465  6.8675 7.1615   3.7217  23.529  9.6557 23.401  9.7683 0.1280479      13.73506 
1 1 1 39 5  4  o 38.972  6.4011 21.234   3.4630  38.338  9.0242 39.606  9.0808 -1.267372      12.80224 
1 1 1 39 5  6  o 25.310  6.4177 9.4400   3.1831  29.570  9.0840 21.049  9.0681 8.520966       12.83545 
1 1 1 39 5  8  o 45.113  5.8967 27.406   3.6603  47.240  7.4549 42.986  9.1384 4.253235       11.79348 
1 1 1 39 5  10 o 25.994  6.7844 9.5976   3.5503  20.905  9.0762 31.082  10.086 -10.17671      13.56885 
1 1 1 39 6  1  o 24.827  6.4960 8.7039   3.1742  28.844  9.5865 20.810  8.7688 8.034275       12.99202 
1 1 1 39 6  3  o 23.599  7.4615 8.0051   4.8108  21.962  9.4864 25.237  11.520 -3.275509      14.92290 
1 1 1 39 6  5  f 22.506  6.5723 6.5150   3.6062  25.866  9.8362 19.146  8.7197 6.720913       13.14470 
1 1 1 39 6  7  o 20.806  6.2875 4.7847   3.2867  19.287  8.4945 22.326  9.2723 -3.038570      12.57502 
1 1 1 39 6  9  o 36.657  6.5994 19.159   3.4290  35.217  9.2317 38.097  9.4332 -2.880207      13.19883 
1 1 1 39 7  0  o 22.907  12.071 10.969   7.2743  22.907  12.071 ?       ?      0.000000       0.000000 
1 1 1 39 7  2  o 18.933  6.4050 -0.9957  4.2213  17.512  7.8741 20.354  10.104 -2.841242      12.81009 
1 1 1 39 7  4  o 24.170  6.8218 8.9646   3.5179  23.077  9.3861 25.263  9.9019 -2.185673      13.64358 
1 1 1 39 7  6  o 27.477  6.9869 11.961   3.5132  25.763  10.004 29.191  9.7562 -3.428743      13.97379 
1 1 1 39 8  1  o 23.093  7.7760 6.8231   5.1982  19.806  8.7513 26.379  12.856 -6.572857      15.55203 
1 1 1 39 8  3  f 33.413  6.5642 16.296   3.2412  37.869  9.3446 28.956  9.2214 8.912510       13.12848 
1 1 1 39 8  5  o 54.888  4.3339 35.264   3.3395  53.570  6.5740 56.206  5.6493 -2.636341      8.667871 
1 1 1 39 9  0  o 17.626  12.240 1.0392   14.087  17.626  12.240 ?       ?      0.000000       0.000000 
1 1 1 40 1  1  o 28.838  6.4819 12.149   3.0863  32.625  8.9402 25.051  9.3878 7.573580       12.96371 
1 1 1 40 2  0  o 44.721  8.1095 24.132   6.5815  44.721  8.1095 ?       ?      0.000000       0.000000 
# 
#END OF REFLECTIONS
